LitChemPlast_Chem_id,Substance,CASRN,DTXSID,PubChem_CID,Preferred_Name,InChIKey,IUPAC_Name,SMILES,InChI,Molecular_Formula,Monoisotopic_Mass
1,4-Nitrobenzenamine,100-01-6,DTXSID8020961,7475,4-Nitrobenzenamine,TYMLOMAKGOJONV-UHFFFAOYSA-N,4-Nitroaniline,NC1=CC=C(C=C1)[N+]([O-])=O,"InChI=1S/C6H6N2O2/c7-5-1-3-6(4-2-5)8(9)10/h1-4H,7H2",C6H6N2O2,138.0429274
2,Terephthalic acid,100-21-0,DTXSID6026080,4356128,Terephthalic acid,KKEYFWRCBNTPAC-UHFFFAOYSA-N,"Benzene-1,4-dicarboxylic acid",OC(=O)C1=CC=C(C=C1)C(O)=O,"InChI=1S/C8H6O4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h1-4H,(H,9,10)(H,11,12)",C8H6O4,166.0266087
3,"N,N-Diethylethanolamine",100-37-8,DTXSID5021837,7497,"N,N-Diethylethanolamine",BFSVOASYOCHEOV-UHFFFAOYSA-N,2-(Diethylamino)ethan-1-ol,CCN(CC)CCO,"InChI=1S/C6H15NO/c1-3-7(4-2)5-6-8/h8H,3-6H2,1-2H3",C6H15NO,117.1153641
4,alpha-Bromotoluene,100-39-0,DTXSID8024658,7498,alpha-Bromotoluene,AGEZXYOZHKGVCM-UHFFFAOYSA-N,(Bromomethyl)benzene,BrCC1=CC=CC=C1,"InChI=1S/C7H7Br/c8-6-7-4-2-1-3-5-7/h1-5H,6H2",C7H7Br,169.973113
5,4-Vinylcyclohexene,100-40-3,DTXSID3021437,7499,4-Vinylcyclohexene,BBDKZWKEPDTENS-UHFFFAOYSA-N,4-Ethenylcyclohex-1-ene,C=CC1CCC=CC1,"InChI=1S/C8H12/c1-2-8-6-4-3-5-7-8/h2-4,8H,1,5-7H2",C8H12,108.0939004
6,Ethylbenzene,100-41-4,DTXSID3020596,7500,Ethylbenzene,YNQLUTRBYVCPMQ-UHFFFAOYSA-N,Ethylbenzene,CCC1=CC=CC=C1,"InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3",C8H10,106.0782503
7,Styrene,100-42-5,DTXSID2021284,7501,Styrene,PPBRXRYQALVLMV-UHFFFAOYSA-N,Ethenylbenzene,C=CC1=CC=CC=C1,"InChI=1S/C8H8/c1-2-8-6-4-3-5-7-8/h2-7H,1H2",C8H8,104.0626003
8,Benzyl chloride,100-44-7,DTXSID0020153,7503,Benzyl chloride,KCXMKQUNVWSEMD-UHFFFAOYSA-N,(Chloromethyl)benzene,ClCC1=CC=CC=C1,"InChI=1S/C7H7Cl/c8-6-7-4-2-1-3-5-7/h1-5H,6H2",C7H7Cl,126.0236279
9,3-?Cyclohexene-?1-?carbonitrile,100-45-8,DTXSID70861706,66013,3-​Cyclohexene-​1-​carbonitrile,GYBNBQFUPDFFQX-UHFFFAOYSA-N,Cyclohex-3-ene-1-carbonitrile,N#CC1CCC=CC1,"InChI=1S/C7H9N/c8-6-7-4-2-1-3-5-7/h1-2,7H,3-5H2",C7H9N,107.0734993
10,Benzylamine,100-46-9,DTXSID5021839,7504,Benzylamine,WGQKYBSKWIADBV-UHFFFAOYSA-N,1-Phenylmethanamine,NCC1=CC=CC=C1,"InChI=1S/C7H9N/c8-6-7-4-2-1-3-5-7/h1-5H,6,8H2",C7H9N,107.0734993
11,Benzonitrile,100-47-0,DTXSID7021491,7505,Benzonitrile,JFDZBHWFFUWGJE-UHFFFAOYSA-N,Benzonitrile,N#CC1=CC=CC=C1,InChI=1S/C7H5N/c8-6-7-4-2-1-3-5-7/h1-5H,C7H5N,103.0421992
12,Cyclohexanemethanol,100-49-2,DTXSID3059212,7507,Cyclohexanemethanol,VSSAZBXXNIABDN-UHFFFAOYSA-N,Cyclohexylmethanol,OCC1CCCCC1,"InChI=1S/C7H14O/c8-6-7-4-2-1-3-5-7/h7-8H,1-6H2",C7H14O,114.1044651
13,Benzyl alcohol,100-51-6,DTXSID5020152,244,Benzyl alcohol,WVDDGKGOMKODPV-UHFFFAOYSA-N,Phenylmethanol,OCC1=CC=CC=C1,"InChI=1S/C7H8O/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2",C7H8O,108.0575149
14,Benzaldehyde,100-52-7,DTXSID8039241,240,Benzaldehyde,HUMNYLRZRPPJDN-UHFFFAOYSA-N,Benzaldehyde,O=CC1=CC=CC=C1,InChI=1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H,C7H6O,106.0418648
15,Anisole,100-66-3,DTXSID4041608,7519,Anisole,RDOXTESZEPMUJZ-UHFFFAOYSA-N,Anisole,COC1=CC=CC=C1,"InChI=1S/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H3",C7H8O,108.0575149
16,Solketal,100-79-8,DTXSID9021845,7528,Solketal,RNVYQYLELCKWAN-UHFFFAOYSA-N,"(2,2-Dimethyl-1,3-dioxolan-4-yl)methanol",CC1(C)OCC(CO)O1,"InChI=1S/C6H12O3/c1-6(2)8-4-5(3-7)9-6/h5,7H,3-4H2,1-2H3",C6H12O3,132.0786442
17,Methyl pristanate,1001-80-5,DTXSID80336819,536527,Methyl pristanate,LCWYDFQCGCPILG-UHFFFAOYSA-N,"Methyl 2,6,10,14-tetramethylpentadecanoate",COC(=O)C(C)CCCC(C)CCCC(C)CCCC(C)C,"InChI=1S/C20H40O2/c1-16(2)10-7-11-17(3)12-8-13-18(4)14-9-15-19(5)20(21)22-6/h16-19H,7-15H2,1-6H3",C20H40O2,312.3028305
18,5?-[[N-[[(3-Acetylphenyl)amino]carbonyl]-L-tryptophyl-3-[[(2S)-2-amino-3-(1H-indol-3-yl)-1-oxopropyl]amino]-L-alanyl]amino]-5?-deoxyuridine (ACI),1001094-06-9,,44442526,5?-[[N-[[(3-Acetylphenyl)amino]carbonyl]-L-tryptophyl-3-[[(2S)-2-amino-3-(1H-indol-3-yl)-1-oxopropyl]amino]-L-alanyl]amino]-5?-deoxyuridine (ACI),BFVCDHDXXUGBPA-PNMRAKLQSA-N,"(2S)-N-[(2S)-2-[[(2S)-2-[(3-acetylphenyl)carbamoylamino]-3-(1H-indol-3-yl)propanoyl]amino]-3-[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methylamino]-3-oxopropyl]-2-amino-3-(1H-indol-3-yl)propanamide",O=C1C=CN(C(=O)N1)C2OC(CNC(=O)C(NC(=O)C(NC(=O)NC3=CC=CC(=C3)C(=O)C)CC4=CNC=5C=CC=CC54)CNC(=O)C(N)CC6=CNC=7C=CC=CC76)C(O)C2O,"InChI=1S/C43H46N10O10/c1-22(54)23-7-6-8-26(15-23)49-42(61)51-32(17-25-19-46-31-12-5-3-10-28(25)31)40(60)50-33(20-47-38(58)29(44)16-24-18-45-30-11-4-2-9-27(24)30)39(59)48-21-34-36(56)37(57)41(63-34)53-14-13-35(55)52-43(53)62/h2-15,18-19,29,32-34,36-37,41,45-46,56-57H,16-17,20-21,44H2,1H3,(H,47,58)(H,48,59)(H,50,60)(H2,49,51,61)(H,52,55,62)",C43H46N10O10,862.34
19,"2,9-Dimethyldecane",1002-17-1,DTXSID40333708,517733,"2,9-Dimethyldecane",HWISDPDDDUZJAW-UHFFFAOYSA-N,"2,9-Dimethyldecane",CC(C)CCCCCCC(C)C,"InChI=1S/C12H26/c1-11(2)9-7-5-6-8-10-12(3)4/h11-12H,5-10H2,1-4H3",C12H26,170.2034508
20,3-Methylundecane,1002-43-3,DTXSID40862508,13845,3-Methylundecane,HTZWVZNRDDOFEI-UHFFFAOYSA-N,3-Methylundecane,CCCCCCCCC(C)CC,"InChI=1S/C12H26/c1-4-6-7-8-9-10-11-12(3)5-2/h12H,4-11H2,1-3H3",C12H26,170.2034508
21,Dibutyltin hydride,1002-53-5,DTXSID60872503,6513,Dibutyltin hydride,WCRDXYSYPCEIAK-UHFFFAOYSA-N,Dibutylstannane,[H][Sn]([H])(CCCC)CCCC,"InChI=1S/2C4H9.Sn.2H/c2*1-3-4-2;;;/h2*1,3-4H2,2H3;;;",C8H20Sn,236.058703
22,1-Chlorodecane,1002-69-3,DTXSID5027352,13848,1-Chlorodecane,ZTEHOZMYMCEYRM-UHFFFAOYSA-N,1-Chlorodecane,CCCCCCCCCCCl,"InChI=1S/C10H21Cl/c1-2-3-4-5-6-7-8-9-10-11/h2-10H2,1H3",C10H21Cl,176.1331784
23,Pentadecanoic acid,1002-84-2,DTXSID2021652,13849,Pentadecanoic acid,WQEPLUUGTLDZJY-UHFFFAOYSA-N,Pentadecanoic acid,CCCCCCCCCCCCCCC(O)=O,"InChI=1S/C15H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h2-14H2,1H3,(H,16,17)",C15H30O2,242.2245802
24,"Furan, tetrahydro-?2,?5-?dimethyl-",1003-38-9,DTXSID10862510,13855,"Furan, tetrahydro-​2,​5-​dimethyl-",OXMIDRBAFOEOQT-UHFFFAOYSA-N,"2,5-Dimethyloxolane",CC1CCC(C)O1,"InChI=1S/C6H12O/c1-5-3-4-6(2)7-5/h5-6H,3-4H2,1-2H3",C6H12O,100.088815
25,2-Propyl-1-heptanol,10042-59-8,DTXSID9029302,24847,2-Propyl-1-heptanol,YLQLIQIAXYRMDL-UHFFFAOYSA-N,2-Propylheptan-1-ol,CCCCCC(CO)CCC,"InChI=1S/C10H22O/c1-3-5-6-8-10(9-11)7-4-2/h10-11H,3-9H2,1-2H3",C10H22O,158.1670653
26,Triethanolammonium borate,10049-36-2,DTXSID10893102,,Triethanolammonium borate,,,,,,
27,Etbicyphat,1005-93-2,DTXSID5058270,13869,Etbicyphat,BYEFHDZWRALTEN-UHFFFAOYSA-N,"4-Ethyl-2,6,7-trioxa-1lambda~5~-phosphabicyclo[2.2.2]octan-1-one",CCC12COP(=O)(OC1)OC2,"InChI=1S/C6H11O4P/c1-2-6-3-8-11(7,9-4-6)10-5-6/h2-5H2,1H3",C6H11O4P,178.0394958
28,2-Methylundecane-2-thiol,10059-13-9,DTXSID00143406,82330,2-Methylundecane-2-thiol,FRQQKWGDKVGLFI-UHFFFAOYSA-N,2-Methylundecane-2-thiol,CCCCCCCCCC(C)(C)S,"InChI=1S/C12H26S/c1-4-5-6-7-8-9-10-11-12(2,3)13/h13H,4-11H2,1-3H3",C12H26S,202.175522
29,Deisopropylatrazine,1007-28-9,DTXSID0037495,13878,Deisopropylatrazine,IVENSCMCQBJAKW-UHFFFAOYSA-N,"6-Chloro-N~2~-ethyl-1,3,5-triazine-2,4-diamine",CCNC1=NC(N)=NC(Cl)=N1,"InChI=1S/C5H8ClN5/c1-2-8-5-10-3(6)9-4(7)11-5/h2H2,1H3,(H3,7,8,9,10,11)",C5H8ClN5,173.046823
30,1-Ethyldecahydronaphthalene,1008-17-9,DTXSID80905746,33053,1-Ethyldecahydronaphthalene,HUMCBDCARGDFNV-UHFFFAOYSA-N,1-Ethyldecahydronaphthalene,CCC1CCCC2CCCCC12,"InChI=1S/C12H22/c1-2-10-7-5-8-11-6-3-4-9-12(10)11/h10-12H,2-9H2,1H3",C12H22,166.1721507
31,"2,3-Dimethyldecahydronaphthalene",1008-80-6,DTXSID90858734,13885,"2,3-Dimethyldecahydronaphthalene",UBGLIVPMNDOOTE-UHFFFAOYSA-N,"2,3-Dimethyldecahydronaphthalene",CC1CC2CCCCC2CC1C,"InChI=1S/C12H22/c1-9-7-11-5-3-4-6-12(11)8-10(9)2/h9-12H,3-8H2,1-2H3",C12H22,166.1721507
32,"Pyridine, 2-phenyl-",1008-89-5,DTXSID6074417,13887,2-Phenylpyridine,VQGHOUODWALEFC-UHFFFAOYSA-N,2-Phenylpyridine,C1=CC=C(C=C1)C1=CC=CC=N1,InChI=1S/C11H9N/c1-2-6-10(7-3-1)11-8-4-5-9-12-11/h1-9H,C11H9N,155.0734993
33,4-(2-Phenylpropan-2-yl)-N-[4-(2-phenylpropan-2-yl)phenyl]aniline,10081-67-1,DTXSID0027721,82343,4-(2-Phenylpropan-2-yl)-N-[4-(2-phenylpropan-2-yl)phenyl]aniline,UJAWGGOCYUPCPS-UHFFFAOYSA-N,4-(2-Phenylpropan-2-yl)-N-[4-(2-phenylpropan-2-yl)phenyl]aniline,CC(C)(C1=CC=CC=C1)C1=CC=C(NC2=CC=C(C=C2)C(C)(C)C2=CC=CC=C2)C=C1,"InChI=1S/C30H31N/c1-29(2,23-11-7-5-8-12-23)25-15-19-27(20-16-25)31-28-21-17-26(18-22-28)30(3,4)24-13-9-6-10-14-24/h5-22,31H,1-4H3",C30H31N,405.24565
34,"1-Pentanone, 1-phenyl-",1009-14-9,DTXSID0061406,66093,"1-Pentanone, 1-phenyl-",XKGLSKVNOSHTAD-UHFFFAOYSA-N,1-Phenylpentan-1-one,CCCCC(=O)C1=CC=CC=C1,"InChI=1S/C11H14O/c1-2-3-9-11(12)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3",C11H14O,162.1044651
35,"alpha,alpha-Dimethylphenethyl butyrate",10094-34-5,DTXSID5038830,24915,"alpha,alpha-Dimethylphenethyl butyrate",SHSGYHAHMQLYRB-UHFFFAOYSA-N,2-Methyl-1-phenylpropan-2-yl butanoate,CCCC(=O)OC(C)(C)CC1=CC=CC=C1,"InChI=1S/C14H20O2/c1-4-8-13(15)16-14(2,3)11-12-9-6-5-7-10-12/h5-7,9-10H,4,8,11H2,1-3H3",C14H20O2,220.1463299
36,Triphenyl phosphite,101-02-0,DTXSID0026252,7540,Triphenyl phosphite,HVLLSGMXQDNUAL-UHFFFAOYSA-N,Triphenyl phosphite,O(P(OC1=CC=CC=C1)OC1=CC=CC=C1)C1=CC=CC=C1,InChI=1S/C18H15O3P/c1-4-10-16(11-5-1)19-22(20-17-12-6-2-7-13-17)21-18-14-8-3-9-15-18/h1-15H,C18H15O3P,310.0758813
37,2-Methylcinnamic aldehyde,101-39-3,DTXSID4025587,7557,2-Methylcinnamic aldehyde,VLUMOWNVWOXZAU-UHFFFAOYSA-N,2-Methyl-3-phenylprop-2-enal,CC(C=O)=CC1=CC=CC=C1,"InChI=1S/C10H10O/c1-9(8-11)7-10-5-3-2-4-6-10/h2-8H,1H3",C10H10O,146.0731649
38,Fenuron,101-42-8,DTXSID7037551,7560,Fenuron,XXOYNJXVWVNOOJ-UHFFFAOYSA-N,"N,N-Dimethyl-N'-phenylurea",CN(C)C(=O)NC1=CC=CC=C1,"InChI=1S/C9H12N2O/c1-11(2)9(12)10-8-6-4-3-5-7-8/h3-7H,1-2H3,(H,10,12)",C9H12N2O,164.094963
39,Cyclohexyl methacrylate,101-43-9,DTXSID7051507,7561,Cyclohexyl methacrylate,OIWOHHBRDFKZNC-UHFFFAOYSA-N,Cyclohexyl 2-methylprop-2-enoate,CC(=C)C(=O)OC1CCCCC1,"InChI=1S/C10H16O2/c1-8(2)10(11)12-9-6-4-3-5-7-9/h9H,1,3-7H2,2H3",C10H16O2,168.1150298
40,p-Bromodiphenyl ether,101-55-3,DTXSID8023927,7565,p-Bromodiphenyl ether,JDUYPUMQALQRCN-UHFFFAOYSA-N,1-Bromo-4-phenoxybenzenato,BrC1=CC=C(OC2=CC=CC=C2)C=C1,InChI=1S/C12H9BrO/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9H,C12H9BrO,247.983678
41,"4,4'-Methylenebis(N,N-dimethylaniline)",101-61-1,DTXSID5020869,7567,"4,4'-Methylenebis(N,N-dimethylaniline)",JNRLEMMIVRBKJE-UHFFFAOYSA-N,"4,4'-Methylenebis(N,N-dimethylaniline)",CN(C)C1=CC=C(CC2=CC=C(C=C2)N(C)C)C=C1,"InChI=1S/C17H22N2/c1-18(2)16-9-5-14(6-10-16)13-15-7-11-17(12-8-15)19(3)4/h5-12H,13H2,1-4H3",C17H22N2,254.1782987
42,"4,4'-Dioctyldiphenylamine",101-67-7,DTXSID3025170,7569,"4,4'-Dioctyldiphenylamine",QAPVYZRWKDXNDK-UHFFFAOYSA-N,4-Octyl-N-(4-octylphenyl)aniline,CCCCCCCCC1=CC=C(NC2=CC=C(CCCCCCCC)C=C2)C=C1,"InChI=1S/C28H43N/c1-3-5-7-9-11-13-15-25-17-21-27(22-18-25)29-28-23-19-26(20-24-28)16-14-12-10-8-6-4-2/h17-24,29H,3-16H2,1-2H3",C28H43N,393.3395504
43,"4,4'-Diphenylmethane diisocyanate",101-68-8,DTXSID7025180,7570,"4,4'-Diphenylmethane diisocyanate",UPMLOUAZCHDJJD-UHFFFAOYSA-N,"1,1'-Methylenebis(4-isocyanatobenzene)",O=C=NC1=CC=C(CC2=CC=C(C=C2)N=C=O)C=C1,"InChI=1S/C15H10N2O2/c18-10-16-14-5-1-12(2-6-14)9-13-3-7-15(8-4-13)17-11-19/h1-8H,9H2",C15H10N2O2,250.0742276
44,N-Isopropyl-N'-phenyl-p-phenylenediamine,101-72-4,DTXSID1025485,7573,N-Isopropyl-N'-phenyl-p-phenylenediamine,OUBMGJOQLXMSNT-UHFFFAOYSA-N,"N~1~-Phenyl-N~4~-(propan-2-yl)benzene-1,4-diamine",CC(C)NC1=CC=C(NC2=CC=CC=C2)C=C1,"InChI=1S/C15H18N2/c1-12(2)16-14-8-10-15(11-9-14)17-13-6-4-3-5-7-13/h3-12,16-17H,1-2H3",C15H18N2,226.1469986
45,"4,4'-Diaminobiphenyl methane",101-77-9,DTXSID6022422,7577,"4,4'-Diaminobiphenyl methane",YBRVSVVVWCFQMG-UHFFFAOYSA-N,"4,4'-Methylenedianiline",NC1=CC=C(CC2=CC=C(N)C=C2)C=C1,"InChI=1S/C13H14N2/c14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11/h1-8H,9,14-15H2",C13H14N2,198.1156985
46,Diphenylmethane,101-81-5,DTXSID1041891,7580,Diphenylmethane,CZZYITDELCSZES-UHFFFAOYSA-N,"1,1'-Methylenedibenzene",C(C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C13H12/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13/h1-10H,11H2",C13H12,168.0939004
47,Diphenyl oxide,101-84-8,DTXSID9021847,7583,Diphenyl oxide,USIUVYZYUHIAEV-UHFFFAOYSA-N,"1,1'-Oxydibenzene",O(C1=CC=CC=C1)C1=CC=CC=C1,InChI=1S/C12H10O/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10H,C12H10O,170.0731649
48,2-(Phenylmethylene)octanal,101-86-0,DTXSID4026684,7585,2-(Phenylmethylene)octanal,GUUHFMWKWLOQMM-UHFFFAOYSA-N,2-Benzylideneoctanal,CCCCCCC(C=O)=CC1=CC=CC=C1,"InChI=1S/C15H20O/c1-2-3-4-6-11-15(13-16)12-14-9-7-5-8-10-14/h5,7-10,12-13H,2-4,6,11H2,1H3",C15H20O,216.1514153
49,Diglycidyl resorcinol ether,101-90-6,DTXSID2020470,7586,Diglycidyl resorcinol ether,WPYCRFCQABTEKC-UHFFFAOYSA-N,"2,2'-[1,3-Phenylenebis(oxymethylene)]bis(oxirane)",C(OC1=CC(OCC2CO2)=CC=C1)C1CO1,"InChI=1S/C12H14O4/c1-2-9(13-5-11-7-15-11)4-10(3-1)14-6-12-8-16-12/h1-4,11-12H,5-8H2",C12H14O4,222.0892089
50,"Pentadecane, 6-methyl-",10105-38-1,DTXSID90274778,24945,"Pentadecane, 6-methyl-",UMXMOZNTPRNNMS-UHFFFAOYSA-N,6-Methylpentadecane,CCCCCCCCCC(C)CCCCC,"InChI=1S/C16H34/c1-4-6-8-9-10-11-13-15-16(3)14-12-7-5-2/h16H,4-15H2,1-3H3",C16H34,226.2660511
52,"Cyclohexanone, 2-cyclohexylidene-",1011-12-7,DTXSID30862512,13892,"Cyclohexanone, 2-cyclohexylidene-",TYDSIOSLHQWFOU-UHFFFAOYSA-N,"[1,1'-Bi(cyclohexyliden)]-2-one",O=C1CCCCC1=C1CCCCC1,InChI=1S/C12H18O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H2,C12H18O,178.1357652
53,Diphenyltin,1011-95-6,DTXSID80904118,494678,Diphenyltin dihydride,ZKCZXVODRKOWIY-UHFFFAOYSA-N,Diphenylstannane,[H][Sn]([H])(C1=CC=CC=C1)C1=CC=CC=C1,InChI=1S/2C6H5.Sn.2H/c2*1-2-4-6-5-3-1;;;/h2*1-5H;;;,C12H12Sn,275.996102
54,"2,6-Bis(1,1-dimethylethyl)-4-(hydroxymethylene)-2,5-cyclohexadien-1-one (ACI)",101100-38-3,,,"2,6-Bis(1,1-dimethylethyl)-4-(hydroxymethylene)-2,5-cyclohexadien-1-one (ACI)",MAADFVPSLRWBIA-UHFFFAOYSA-N,,O=C1C(=CC(=CO)C=C1C(C)(C)C)C(C)(C)C,"InChI=1S/C15H22O2/c1-14(2,3)11-7-10(9-16)8-12(13(11)17)15(4,5)6/h7-9,16H,1-6H3",,
55,p-Di-tert-butylbenzene,1012-72-2,DTXSID4061410,13895,p-Di-tert-butylbenzene,OOWNNCMFKFBNOF-UHFFFAOYSA-N,"1,4-Di-tert-butylbenzene",CC(C)(C)C1=CC=C(C=C1)C(C)(C)C,"InChI=1S/C14H22/c1-13(2,3)11-7-9-12(10-8-11)14(4,5)6/h7-10H,1-6H3",C14H22,190.1721507
56,Ethyl iso-allocholate,101230-69-7,DTXSID001016575,154734451,Ethyl iso-allocholate,ZQJLVSITPFJEAT-PEDNHDMFSA-N,"Ethyl 3beta,7alpha,12alpha-trihydroxy-5alpha-cholan-24-oate--methane (1/1)",C.[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@@]4([H])C[C@@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)CCC(=O)OCC,"InChI=1S/C26H44O5.CH4/c1-5-31-23(30)9-6-15(2)18-7-8-19-24-20(14-22(29)26(18,19)4)25(3)11-10-17(27)12-16(25)13-21(24)28;/h15-22,24,27-29H,5-14H2,1-4H3;1H4/t15-,16-,17+,18-,19+,20+,21-,22+,24+,25+,26-;/m1./s1",C27H48O5,452.3501746
57,"Benzene, 1,3-bis(1,1-dimethylethyl)-",1014-60-4,DTXSID80143904,136810,"1,3-di-tert-Butyl benzene",ILNDSSCEZZFNGE-UHFFFAOYSA-N,"1,3-Di-tert-butylbenzene",CC(C)(C)C1=CC(=CC=C1)C(C)(C)C,"InChI=1S/C14H22/c1-13(2,3)11-8-7-9-12(10-11)14(4,5)6/h7-10H,1-6H3",C14H22,190.1721507
58,"Benzene, (2-propynyl)-",10147-11-2,DTXSID00143941,575753,"Benzene, (2-propynyl)-",NGKSKVYWPINGLI-UHFFFAOYSA-N,(Prop-2-yn-1-yl)benzene,C#CCC1=CC=CC=C1,"InChI=1S/C9H8/c1-2-6-9-7-4-3-5-8-9/h1,3-5,7-8H,6H2",C9H8,116.0626003
59,Methyl 2-({2-[(2-ethylcyclopropyl)methyl]cyclopropyl}methyl)cyclopropane-1-carboxylate,10152-71-3,DTXSID40702713,53440674,Methyl 2-({2-[(2-ethylcyclopropyl)methyl]cyclopropyl}methyl)cyclopropane-1-carboxylate,BRZXGZDBYPCFGB-UHFFFAOYSA-N,Methyl 2-({2-[(2-ethylcyclopropyl)methyl]cyclopropyl}methyl)cyclopropane-1-carboxylate,CCC1CC1CC1CC1CC1CC1C(=O)OC,"InChI=1S/C15H24O2/c1-3-9-4-10(9)5-11-6-12(11)7-13-8-14(13)15(16)17-2/h9-14H,3-8H2,1-2H3",C15H24O2,236.17763
60,N-[(9Z)-1-Oxo-9-hexadecen-1-yl]valine 2-deoxy-2-[(1-oxobutyl)amino]-?-D-glucopyranosyl ester (ACI),1016884-03-9,,101864692,N-[(9Z)-1-Oxo-9-hexadecen-1-yl]valine 2-deoxy-2-[(1-oxobutyl)amino]-?-D-glucopyranosyl ester (ACI),DDBLTMOHPUQDBB-BKFAJKOKSA-N,"[(2R,3R,4R,5S,6R)-3-(butanoylamino)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] 2-[[(Z)-hexadec-9-enoyl]amino]-3-methylbutanoate",O=C(NC(C(=O)OC1OC(CO)C(O)C(O)C1NC(=O)CCC)C(C)C)CCCCCCCC=CCCCCCC,"InChI=1S/C31H56N2O8/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-20-25(36)32-26(22(3)4)30(39)41-31-27(33-24(35)19-6-2)29(38)28(37)23(21-34)40-31/h11-12,22-23,26-29,31,34,37-38H,5-10,13-21H2,1-4H3,(H,32,36)(H,33,35)",C31H56N2O8,584.404
61,"Benzoic acid, 5-[2-[4?-[2-[2,4-diamino-5-[2-[8-hydroxy-3,6-disulfo-7-[2-(4-sulfo-1-naphthalenyl)diazenyl]-2-naphthalenyl]diazenyl]phenyl]diazenyl][1,1?-biphenyl]-4-yl]diazenyl]-2-hydroxy-, sodium salt (1:4) (ACI)",10169-49-0,,,"Benzoic acid, 5-[2-[4?-[2-[2,4-diamino-5-[2-[8-hydroxy-3,6-disulfo-7-[2-(4-sulfo-1-naphthalenyl)diazenyl]-2-naphthalenyl]diazenyl]phenyl]diazenyl][1,1?-biphenyl]-4-yl]diazenyl]-2-hydroxy-, sodium salt (1:4) (ACI)",ZWYMWFMMIWXUAH-UHFFFAOYSA-N,,[Na].O=C(O)C1=CC(N=NC2=CC=C(C=C2)C3=CC=C(N=NC=4C=C(N=NC5=CC6=C(O)C(N=NC7=CC=C(C=8C=CC=CC78)S(=O)(=O)O)=C(C=C6C=C5S(=O)(=O)O)S(=O)(=O)O)C(N)=CC4N)C=C3)=CC=C1O,"InChI=1S/C45H32N10O13S3.Na/c46-33-21-34(47)37(22-36(33)52-49-27-11-7-24(8-12-27)23-5-9-26(10-6-23)48-50-28-13-15-39(56)32(19-28)45(58)59)53-54-38-20-31-25(17-41(38)70(63,64)65)18-42(71(66,67)68)43(44(31)57)55-51-35-14-16-40(69(60,61)62)30-4-2-1-3-29(30)35;/h1-22,56-57H,46-47H2,(H,58,59)(H,60,61,62)(H,63,64,65)(H,66,67,68);",,
62,"N1-(2,5-Dimethylphenyl)-N1-methyl-1,2-ethanediamine (ACI)",1018612-27-5,,28772623,"N1-(2,5-Dimethylphenyl)-N1-methyl-1,2-ethanediamine (ACI)",FPLIEZWGSKATNG-UHFFFAOYSA-N,"N'-(2,5-dimethylphenyl)-N'-methylethane-1,2-diamine",NCCN(C1=CC(=CC=C1C)C)C,"InChI=1S/C11H18N2/c1-9-4-5-10(2)11(8-9)13(3)7-6-12/h4-5,8H,6-7,12H2,1-3H3",C11H18N2,178.147
63,1-Tetracosene,10192-32-2,DTXSID5029716,82436,1-Tetracosene,ZDLBWMYNYNATIW-UHFFFAOYSA-N,Tetracos-1-ene,CCCCCCCCCCCCCCCCCCCCCCC=C,"InChI=1S/C24H48/c1-3-5-7-9-11-13-15-17-19-21-23-24-22-20-18-16-14-12-10-8-6-4-2/h3H,1,4-24H2,2H3",C24H48,336.3756015
64,"1,3-Diphenylguanidine",102-06-7,DTXSID3025178,7594,"1,3-Diphenylguanidine",OWRCNXZUPFZXOS-UHFFFAOYSA-N,"N,N'-Diphenylguanidine",N=C(NC1=CC=CC=C1)NC1=CC=CC=C1,"InChI=1S/C13H13N3/c14-13(15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h1-10H,(H3,14,15,16)",C13H13N3,211.1109474
65,N-Ethyl-3-methylaniline,102-27-2,DTXSID4021848,7603,N-Ethyl-3-methylaniline,GUYMMHOQXYZMJQ-UHFFFAOYSA-N,N-Ethyl-3-methylaniline,CCNC1=CC(C)=CC=C1,"InChI=1S/C9H13N/c1-3-10-9-6-4-5-8(2)7-9/h4-7,10H,3H2,1-2H3",C9H13N,135.1047994
66,"3,4-Dichlorophenyl isocyanate",102-36-3,DTXSID9033008,7607,"3,4-Dichlorophenyl isocyanate",MFUVCHZWGSJKEQ-UHFFFAOYSA-N,"1,2-Dichloro-4-isocyanatobenzene",ClC1=C(Cl)C=C(C=C1)N=C=O,InChI=1S/C7H3Cl2NO/c8-6-2-1-5(10-4-11)3-7(6)9/h1-3H,C7H3Cl2NO,186.9591691
67,"1,2-Diacetylglycerol",102-62-5,DTXSID70883105,66021,"1,2-Diacetylglycerol",UXDDRFCJKNROTO-UHFFFAOYSA-N,"3-Hydroxypropane-1,2-diyl diacetate",CC(=O)OCC(CO)OC(C)=O,"InChI=1S/C7H12O5/c1-5(9)11-4-7(3-8)12-6(2)10/h7-8H,3-4H2,1-2H3",C7H12O5,176.0684735
68,Triethanolamine,102-71-6,DTXSID9021392,7618,Triethanolamine,GSEJCLTVZPLZKY-UHFFFAOYSA-N,"2,2',2''-Nitrilotri(ethan-1-ol)",OCCN(CCO)CCO,"InChI=1S/C6H15NO3/c8-4-1-7(2-5-9)3-6-10/h8-10H,1-6H2",C6H15NO3,149.1051933
69,Triacetin,102-76-1,DTXSID3026691,5541,Triacetin,URAYPUMNDPQOKB-UHFFFAOYSA-N,"Propane-1,2,3-triyl triacetate",CC(=O)OCC(COC(C)=O)OC(C)=O,"InChI=1S/C9H14O6/c1-6(10)13-4-9(15-8(3)12)5-14-7(2)11/h9H,4-5H2,1-3H3",C9H14O6,218.0790382
70,3-dodecanol,10203-30-2,DTXSID30871200,139108,3-dodecanol,OKDGZLITBCRLLJ-UHFFFAOYSA-N,Dodecan-3-ol,CCCCCCCCCC(O)CC,"InChI=1S/C12H26O/c1-3-5-6-7-8-9-10-11-12(13)4-2/h12-13H,3-11H2,1-2H3",C12H26O,186.1983655
71,alpha-Muurolene,10208-80-7,DTXSID90144629,12306047,alpha-Muurolene,QMAYBMKBYCGXDH-ZNMIVQPWSA-N,"(1S,4aS,8aR)-4,7-Dimethyl-1-(propan-2-yl)-1,2,4a,5,6,8a-hexahydronaphthalene",CC(C)[C@@H]1CC=C(C)[C@H]2CCC(C)=C[C@@H]12,"InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h6,9-10,13-15H,5,7-8H2,1-4H3/t13-,14+,15-/m0/s1",C15H24,204.1878008
72,"2,6-Dibromo-4-(1,1,3,3-tetramethylbutyl)phenol (ACI)",102127-40-2,,85529672,"2,6-Dibromo-4-(1,1,3,3-tetramethylbutyl)phenol (ACI)",FMZNZRFOMWFFKQ-UHFFFAOYSA-N,"2,6-dibromo-4-(2,4,4-trimethylpentan-2-yl)phenol",BrC=1C=C(C=C(Br)C1O)C(C)(C)CC(C)(C)C,"InChI=1S/C14H20Br2O/c1-13(2,3)8-14(4,5)9-6-10(15)12(17)11(16)7-9/h6-7,17H,8H2,1-5H3",C14H20Br2O,361.988
73,"1,1-Diethyl 2-[[(ethoxycarbonyl)oxy]methyl]-3-(4-methoxyphenyl)-1H-indene-1,1-dicarboxylate (ACI)",1022161-83-6,,24813907,"1,1-Diethyl 2-[[(ethoxycarbonyl)oxy]methyl]-3-(4-methoxyphenyl)-1H-indene-1,1-dicarboxylate (ACI)",MIVAXVMAAAINBJ-UHFFFAOYSA-N,"diethyl 2-(ethoxycarbonyloxymethyl)-3-(4-methoxyphenyl)indene-1,1-dicarboxylate",O=C(OCC1=C(C=2C=CC(OC)=CC2)C=3C=CC=CC3C1(C(=O)OCC)C(=O)OCC)OCC,"InChI=1S/C26H28O8/c1-5-31-23(27)26(24(28)32-6-2)20-11-9-8-10-19(20)22(17-12-14-18(30-4)15-13-17)21(26)16-34-25(29)33-7-3/h8-15H,5-7,16H2,1-4H3",C26H28O8,468.178
74,"5-Isopropyl-1,2,4-trimethylbenzene",10222-95-4,DTXSID50144802,66294,"5-Isopropyl-1,2,4-trimethylbenzene",POOXAYBPGIHSME-UHFFFAOYSA-N,"1,2,4-Trimethyl-5-(propan-2-yl)benzene",CC(C)C1=C(C)C=C(C)C(C)=C1,"InChI=1S/C12H18/c1-8(2)12-7-10(4)9(3)6-11(12)5/h6-8H,1-5H3",C12H18,162.1408506
75,"2-Sec-butyl-1-phenyl-1,3-butanedione",10225-40-8,DTXSID70341194,570937,"2-Sec-butyl-1-phenyl-1,3-butanedione",KYIVSKWOJCLODL-UHFFFAOYSA-N,"2-(Butan-2-yl)-1-phenylbutane-1,3-dione",CCC(C)C(C(C)=O)C(=O)C1=CC=CC=C1,"InChI=1S/C14H18O2/c1-4-10(2)13(11(3)15)14(16)12-8-6-5-7-9-12/h5-10,13H,4H2,1-3H3",C14H18O2,218.1306798
76,"(4aS)-4,4a,5,6,11,12-Hexahydro-8-methoxy-4a-methyl-2(3H)-chrysenone (ACI)",102323-79-5,,624368,"(4aS)-4,4a,5,6,11,12-Hexahydro-8-methoxy-4a-methyl-2(3H)-chrysenone (ACI)",LIWPFSRVWYAGHN-UHFFFAOYSA-N,"8-methoxy-4a-methyl-3,4,5,6,11,12-hexahydrochrysen-2-one",O=C1C=C2CCC=3C=4C=CC(OC)=CC4CCC3C2(C)CC1,"InChI=1S/C20H22O2/c1-20-10-9-15(21)12-14(20)4-6-18-17-7-5-16(22-2)11-13(17)3-8-19(18)20/h5,7,11-12H,3-4,6,8-10H2,1-2H3",C20H22O2,294.162
77,Isopropyl Laurate,10233-13-3,DTXSID3041904,25068,Isopropyl Laurate,UJPPXNXOEVDSRW-UHFFFAOYSA-N,Propan-2-yl dodecanoate,CCCCCCCCCCCC(=O)OC(C)C,"InChI=1S/C15H30O2/c1-4-5-6-7-8-9-10-11-12-13-15(16)17-14(2)3/h14H,4-13H2,1-3H3",C15H30O2,242.2245802
78,1-Diazo-2-eicosanone (ACI),102376-62-5,,164147425,1-Diazo-2-eicosanone (ACI),ZBQWCMZTKLTOHJ-UHFFFAOYSA-N,1-diazoicosan-2-one,[N-]=[N+]=CC(=O)CCCCCCCCCCCCCCCCCC,"InChI=1S/C20H38N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(23)19-22-21/h19H,2-18H2,1H3",C20H38N2O,322.298
79,Triallyl isocyanurate,1025-15-6,DTXSID0026175,13931,Triallyl isocyanurate,KOMNUTZXSVSERR-UHFFFAOYSA-N,"1,3,5-Tri(prop-2-en-1-yl)-1,3,5-triazinane-2,4,6-trione",C=CCN1C(=O)N(CC=C)C(=O)N(CC=C)C1=O,"InChI=1S/C12H15N3O3/c1-4-7-13-10(16)14(8-5-2)12(18)15(9-6-3)11(13)17/h4-6H,1-3,7-9H2",C12H15N3O3,249.1113414
80,Name Not Yet Assigned,1025305-46-7,,422729,Name Not Yet Assigned,PNCRQPFLHCPMJA-UHFFFAOYSA-N,"[2,15,17,29-tetrahydroxy-27-[2-(4-hydroxy-N-methylanilino)-2-oxoethoxy]-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(29),2,4,9,19,21,25,27-octaen-13-yl] acetate",O=C(OC1C(C)C(OC)C=COC2(OC=3C(C2=O)=C4C(OCC(=O)N(C5=CC=C(O)C=C5)C)=CC(NC(=O)C(=CC=CC(C)C(O)C(C)C(O)C1C)C)=C(O)C4=C(O)C3C)C)C,"InChI=1S/C46H56N2O14/c1-22-12-11-13-23(2)45(57)47-31-20-33(59-21-34(51)48(9)29-14-16-30(50)17-15-29)35-36(41(31)55)40(54)27(6)43-37(35)44(56)46(8,62-43)60-19-18-32(58-10)24(3)42(61-28(7)49)26(5)39(53)25(4)38(22)52/h11-20,22,24-26,32,38-39,42,50,52-55H,21H2,1-10H3,(H,47,57)",C46H56N2O14,860.373
81,"1,1-Dimethylethyl (3S)-17-amino-3-(2-amino-2-oxoethyl)-2,5,9,14-tetraazaheptadecanoate (ACI)",1027154-68-2,,11047711,"1,1-Dimethylethyl (3S)-17-amino-3-(2-amino-2-oxoethyl)-2,5,9,14-tetraazaheptadecanoate (ACI)",IGMOMNKNLSWBRF-INIZCTEOSA-N,tert-butyl N-[(2S)-4-amino-1-[3-[4-(3-aminopropylamino)butylamino]propylamino]-4-oxobutan-2-yl]carbamate,O=C(OC(C)(C)C)NC(CNCCCNCCCCNCCCN)CC(=O)N,"InChI=1S/C19H42N6O3/c1-19(2,3)28-18(27)25-16(14-17(21)26)15-24-13-7-12-23-10-5-4-9-22-11-6-8-20/h16,22-24H,4-15,20H2,1-3H3,(H2,21,26)(H,25,27)",C19H42N6O3,402.332
82,"Hexadecanoic acid, 2-[2-[2-[(1-oxohexadecyl)oxy]ethoxy]propoxy]ethyl ester (ZCI)",1028299-79-7,,10032084,"Hexadecanoic acid, 2-[2-[2-[(1-oxohexadecyl)oxy]ethoxy]propoxy]ethyl ester (ZCI)",BAEFWBQQYWGAFV-UHFFFAOYSA-N,2-[2-(2-hexadecanoyloxyethoxy)propoxy]ethyl hexadecanoate,O=C(OCCOCC(OCCOC(=O)CCCCCCCCCCCCCCC)C)CCCCCCCCCCCCCCC,"InChI=1S/C39H76O6/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-38(40)44-33-32-42-36-37(3)43-34-35-45-39(41)31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h37H,4-36H2,1-3H3",C39H76O6,640.564
83,Parbenate,10287-53-3,DTXSID2044763,25127,Parbenate,FZUGPQWGEGAKET-UHFFFAOYSA-N,Ethyl 4-(dimethylamino)benzoate,CCOC(=O)C1=CC=C(C=C1)N(C)C,"InChI=1S/C11H15NO2/c1-4-14-11(13)9-5-7-10(8-6-9)12(2)3/h5-8H,4H2,1-3H3",C11H15NO2,193.1102787
84,"2-Nonanol, 2-methyl-",10297-57-1,DTXSID10145592,25139,"2-Nonanol, 2-methyl-",VREDNSVJXRJXRI-UHFFFAOYSA-N,2-Methylnonan-2-ol,CCCCCCCC(C)(C)O,"InChI=1S/C10H22O/c1-4-5-6-7-8-9-10(2,3)11/h11H,4-9H2,1-3H3",C10H22O,158.1670653
85,2-Ethylhexyl acetate,103-09-3,DTXSID8026694,7635,2-Ethylhexyl acetate,WOYWLLHHWAMFCB-UHFFFAOYSA-N,2-Ethylhexyl acetate,CCCCC(CC)COC(C)=O,"InChI=1S/C10H20O2/c1-4-6-7-10(5-2)8-12-9(3)11/h10H,4-8H2,1-3H3",C10H20O2,172.1463299
86,2-Ethylhexyl acrylate,103-11-7,DTXSID9025297,7636,2-Ethylhexyl acrylate,GOXQRTZXKQZDDN-UHFFFAOYSA-N,2-Ethylhexyl prop-2-enoate,CCCCC(CC)COC(=O)C=C,"InChI=1S/C11H20O2/c1-4-7-8-10(5-2)9-13-11(12)6-3/h6,10H,3-5,7-9H2,1-2H3",C11H20O2,184.1463299
87,Bis(2-ethylhexyl)hexanedioate,103-23-1,DTXSID0020606,7641,Bis(2-ethylhexyl)hexanedioate,SAOKZLXYCUGLFA-UHFFFAOYSA-N,Bis(2-ethylhexyl) hexanedioate,CCCCC(CC)COC(=O)CCCCC(=O)OCC(CC)CCCC,"InChI=1S/C22H42O4/c1-5-9-13-19(7-3)17-25-21(23)15-11-12-16-22(24)26-18-20(8-4)14-10-6-2/h19-20H,5-18H2,1-4H3",C22H42O4,370.3083098
88,Bibenzyl,103-29-7,DTXSID8041668,7647,Bibenzyl,QWUWMCYKGHVNAV-UHFFFAOYSA-N,"1,1'-(Ethane-1,2-diyl)dibenzene",C(CC1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C14H14/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14/h1-10H,11-12H2",C14H14,182.1095505
89,Benzyl butyrate,103-37-7,DTXSID7047510,7650,Benzyl butyrate,VONGZNXBKCOUHB-UHFFFAOYSA-N,Benzyl butanoate,CCCC(=O)OCC1=CC=CC=C1,"InChI=1S/C11H14O2/c1-2-6-11(12)13-9-10-7-4-3-5-8-10/h3-5,7-8H,2,6,9H2,1H3",C11H14O2,178.0993797
90,Benzyl cinnamate,103-41-3,DTXSID3041663,7652,Benzyl cinnamate,NGHOLYJTSCBCGC-UHFFFAOYSA-N,Benzyl 3-phenylprop-2-enoate,O=C(OCC1=CC=CC=C1)C=CC1=CC=CC=C1,"InChI=1S/C16H14O2/c17-16(12-11-14-7-3-1-4-8-14)18-13-15-9-5-2-6-10-15/h1-12H,13H2",C16H14O2,238.0993797
91,2-Phenylethyl acetate,103-45-7,DTXSID7044506,7654,2-Phenylethyl acetate,MDHYEMXUFSJLGV-UHFFFAOYSA-N,2-Phenylethyl acetate,CC(=O)OCCC1=CC=CC=C1,"InChI=1S/C10H12O2/c1-9(11)12-8-7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3",C10H12O2,164.0837296
92,Dibenzylamine,103-49-1,DTXSID6044355,7656,Dibenzylamine,BWLUMTFWVZZZND-UHFFFAOYSA-N,N-Benzyl-1-phenylmethanamine,C(NCC1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C14H15N/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14/h1-10,15H,11-12H2",C14H15N,197.1204495
93,Dibenzyl ether,103-50-4,DTXSID5025819,7657,Dibenzyl ether,MHDVGSVTJDSBDK-UHFFFAOYSA-N,"1,1'-[Oxybis(methylene)]dibenzene",C(OCC1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C14H14O/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14/h1-10H,11-12H2",C14H14O,198.1044651
94,2-Phenoxyethyl isobutyrate,103-60-6,DTXSID7042279,61005,2-Phenoxyethyl isobutyrate,MJTPMXWJHPOWGH-UHFFFAOYSA-N,2-Phenoxyethyl 2-methylpropanoate,CC(C)C(=O)OCCOC1=CC=CC=C1,"InChI=1S/C12H16O3/c1-10(2)12(13)15-9-8-14-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3",C12H16O3,208.1099444
95,Propylbenzene,103-65-1,DTXSID3042219,7668,Propylbenzene,ODLMAHJVESYWTB-UHFFFAOYSA-N,Propylbenzene,CCCC1=CC=CC=C1,"InChI=1S/C9H12/c1-2-6-9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3",C9H12,120.0939004
96,Phenyl isocyanate,103-71-9,DTXSID5051521,7672,Phenyl isocyanate,DGTNSSLYPYDJGL-UHFFFAOYSA-N,Isocyanatobenzene,O=C=NC1=CC=CC=C1,InChI=1S/C7H5NO/c9-6-8-7-4-2-1-3-5-7/h1-5H,C7H5NO,119.0371138
97,Phenylacetic acid,103-82-2,DTXSID2021656,999,Phenylacetic acid,WLJVXDMOQOGPHL-UHFFFAOYSA-N,Phenylacetic acid,OC(=O)CC1=CC=CC=C1,"InChI=1S/C8H8O2/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10)",C8H8O2,136.0524295
98,N-Acetyl-p-toluidine,103-89-9,DTXSID6024414,7684,N-Acetyl-p-toluidine,YICAMJWHIUMFDI-UHFFFAOYSA-N,N-(4-Methylphenyl)acetamide,CC(=O)NC1=CC=C(C)C=C1,"InChI=1S/C9H11NO/c1-7-3-5-9(6-4-7)10-8(2)11/h3-6H,1-2H3,(H,10,11)",C9H11NO,149.084064
99,Cyclamen aldehyde,103-95-7,DTXSID2044769,517827,Cyclamen aldehyde,ZFNVDHOSLNRHNN-UHFFFAOYSA-N,2-Methyl-3-[4-(propan-2-yl)phenyl]propanal,CC(CC1=CC=C(C=C1)C(C)C)C=O,"InChI=1S/C13H18O/c1-10(2)13-6-4-12(5-7-13)8-11(3)9-14/h4-7,9-11H,8H2,1-3H3",C13H18O,190.1357652
100,"2,3,16,17-Tetramethyl 5,14,19,28-tetraoxo-1,4,15,18-tetraoxacyclooctacosane-2,3,16,17-tetracarboxylate (ACI)",103024-11-9,,21791543,"2,3,16,17-Tetramethyl 5,14,19,28-tetraoxo-1,4,15,18-tetraoxacyclooctacosane-2,3,16,17-tetracarboxylate (ACI)",ZNNPQTFMQXRRDS-UHFFFAOYSA-N,"tetramethyl 5,14,19,28-tetraoxo-1,4,15,18-tetraoxacyclooctacosane-2,3,16,17-tetracarboxylate",O=C1OC(C(=O)OC)C(OC(=O)CCCCCCCCC(=O)OC(C(=O)OC)C(OC(=O)CCCCCCCC1)C(=O)OC)C(=O)OC,"InChI=1S/C32H48O16/c1-41-29(37)25-26(30(38)42-2)46-22(34)18-14-10-7-8-12-16-20-24(36)48-28(32(40)44-4)27(31(39)43-3)47-23(35)19-15-11-6-5-9-13-17-21(33)45-25/h25-28H,5-20H2,1-4H3",C32H48O16,688.294
101,Endosulfan sulfate,1031-07-8,DTXSID3037541,13940,Endosulfan sulfate,AAPVQEMYVNZIOO-UHFFFAOYSA-N,"6,7,8,9,10,10-Hexachloro-1,5,5a,6,9,9a-hexahydro-3H-6,9-methano-3lambda~6~-2,4,3lambda~6~-benzodioxathiepine-3,3-dione",ClC1=C(Cl)C2(Cl)C3COS(=O)(=O)OCC3C1(Cl)C2(Cl)Cl,"InChI=1S/C9H6Cl6O4S/c10-5-6(11)8(13)4-2-19-20(16,17)18-1-3(4)7(5,12)9(8,14)15/h3-4H,1-2H2",C9H6Cl6O4S,419.811796
103,"Androst-5-ene-3-thiol, 17-octyl-, 3-dodecanoate, (3?,17?)- (ACI)",1032631-21-2,,16401982,"Androst-5-ene-3-thiol, 17-octyl-, 3-dodecanoate, (3?,17?)- (ACI)",QZALWVBUDXNDDH-HFGOEAQHSA-N,"S-[(3S,8S,9S,10R,13R,14S,17S)-10,13-dimethyl-17-octyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] dodecanethioate",O=C(SC1CC2=CCC3C(CCC4(C)C(CCCCCCCC)CCC34)C2(C)CC1)CCCCCCCCCCC,"InChI=1S/C39H68OS/c1-5-7-9-11-13-14-15-17-19-21-37(40)41-33-26-28-39(4)32(30-33)22-24-34-35-25-23-31(20-18-16-12-10-8-6-2)38(35,3)29-27-36(34)39/h22,31,33-36H,5-21,23-30H2,1-4H3",C39H68OS,584.499
104,LEU-LEU-LEU,10329-75-6,DTXSID40875118,259327,LEU-LEU-LEU,DNDWZFHLZVYOGF-UHFFFAOYSA-N,N-{2-[(2-Amino-1-hydroxy-4-methylpentylidene)amino]-1-hydroxy-4-methylpentylidene}leucine,CC(C)CC(N)C(O)=NC(CC(C)C)C(O)=NC(CC(C)C)C(O)=O,"InChI=1S/C18H35N3O4/c1-10(2)7-13(19)16(22)20-14(8-11(3)4)17(23)21-15(18(24)25)9-12(5)6/h10-15H,7-9,19H2,1-6H3,(H,20,22)(H,21,23)(H,24,25)",C18H35N3O4,357.2627566
105,Octyl gallate,1034-01-1,DTXSID4040713,61253,Octyl gallate,NRPKURNSADTHLJ-UHFFFAOYSA-N,"Octyl 3,4,5-trihydroxybenzoate",CCCCCCCCOC(=O)C1=CC(O)=C(O)C(O)=C1,"InChI=1S/C15H22O5/c1-2-3-4-5-6-7-8-20-15(19)11-9-12(16)14(18)13(17)10-11/h9-10,16-18H,2-8H2,1H3",C15H22O5,282.1467238
106,"9-Eicosenoic acid, methyl ester (7CI, 8CI, 9CI, ACI)",10340-21-3,,54465270,"9-Eicosenoic acid, methyl ester (7CI, 8CI, 9CI, ACI)",XEJYCWVISZMIDA-UHFFFAOYSA-N,methyl icos-9-enoate,O=C(OC)CCCCCCCC=CCCCCCCCCCC,"InChI=1S/C21H40O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-2/h12-13H,3-11,14-20H2,1-2H3",C21H40O2,324.303
107,4-Phenyl-1-pentene,10340-49-5,DTXSID30341059,569651,4-Phenyl-1-pentene,VUXTURSVFKUIRT-UHFFFAOYSA-N,(Pent-4-en-2-yl)benzene,CC(CC=C)C1=CC=CC=C1,"InChI=1S/C11H14/c1-3-7-10(2)11-8-5-4-6-9-11/h3-6,8-10H,1,7H2,2H3",C11H14,146.1095505
108,"3?,5?-Dihydroxy-4??-methyl[1,1?:4?,1??-terphenyl]-2?-yl ?-D-glucopyranoside (ACI)",1034017-61-2,,44577316,"3?,5?-Dihydroxy-4??-methyl[1,1?:4?,1??-terphenyl]-2?-yl ?-D-glucopyranoside (ACI)",GBJSTMVTXSEZSO-DNWJDABFSA-N,"(2S,3R,4S,5S,6R)-2-[2,4-dihydroxy-3-(4-methylphenyl)-6-phenylphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol",OC1=CC(C=2C=CC=CC2)=C(OC3OC(CO)C(O)C(O)C3O)C(O)=C1C=4C=CC(=CC4)C,"InChI=1S/C25H26O8/c1-13-7-9-15(10-8-13)19-17(27)11-16(14-5-3-2-4-6-14)24(21(19)29)33-25-23(31)22(30)20(28)18(12-26)32-25/h2-11,18,20,22-23,25-31H,12H2,1H3",C25H26O8,454.163
109,"1-Naphthaleneheptanoic acid, 1,2,3,5,6,7,8,8a-octahydro-?,?,3,5-tetrahydroxy-2-methyl-8-(2-methyl-1-oxobutoxy)-, [1S-[1?(?S*,?S*),2?,3?,5?,8?(R*),8a?]]- (9CI)",103421-78-9,,13300724,"1-Naphthaleneheptanoic acid, 1,2,3,5,6,7,8,8a-octahydro-?,?,3,5-tetrahydroxy-2-methyl-8-(2-methyl-1-oxobutoxy)-, [1S-[1?(?S*,?S*),2?,3?,5?,8?(R*),8a?]]- (9CI)",UNWKHAIRWSPFAL-UHFFFAOYSA-N,"7-[3,5-dihydroxy-2-methyl-8-(2-methylbutanoyloxy)-1,2,3,5,6,7,8,8a-octahydronaphthalen-1-yl]-3,5-dihydroxyheptanoic acid",O=C(O)CC(O)CC(O)CCC1C2C(=CC(O)C1C)C(O)CCC2OC(=O)C(C)CC,"InChI=1S/C23H38O8/c1-4-12(2)23(30)31-20-8-7-18(26)17-11-19(27)13(3)16(22(17)20)6-5-14(24)9-15(25)10-21(28)29/h11-16,18-20,22,24-27H,4-10H2,1-3H3,(H,28,29)",C23H38O8,442.257
110,Hexabromodibenzofuran (ACI),103456-33-3,,,Hexabromodibenzofuran (ACI),,,,,,
111,"Bromodibenzo[b,e][1,4]dioxin (ACI)",103456-34-4,,,"Bromodibenzo[b,e][1,4]dioxin (ACI)",,,,,,
112,1-Bromodibenzofuran,103456-35-5,DTXSID20145866,190542,1-Bromodibenzofuran,WUYYVOWEBMOELQ-UHFFFAOYSA-N,"1-Bromodibenzo[b,d]furan",BrC1=CC=CC2=C1C1=CC=CC=C1O2,InChI=1S/C12H7BrO/c13-9-5-3-7-11-12(9)8-4-1-2-6-10(8)14-11/h1-7H,C12H7BrO,245.968028
113,"1,2,3,4,6-Pentabromooxanthrene",103456-36-6,DTXSID90908425,14094607,"1,2,3,4,6-Pentabromooxanthrene",YPFFNRNCRCZYKK-UHFFFAOYSA-N,"1,2,3,4,6-Pentabromooxanthrene",BrC1=C2OC3=C(Br)C(Br)=C(Br)C(Br)=C3OC2=CC=C1,InChI=1S/C12H3Br5O2/c13-4-2-1-3-5-10(4)19-12-9(17)7(15)6(14)8(16)11(12)18-5/h1-3H,C12H3Br5O2,573.604994
114,"1,2-Dibromooxanthrene",103456-37-7,DTXSID50908426,183108,"1,2-Dibromooxanthrene",MKXZILBIAQNODC-UHFFFAOYSA-N,"1,2-Dibromooxanthrene",BrC1=C(Br)C2=C(OC3=CC=CC=C3O2)C=C1,InChI=1S/C12H6Br2O2/c13-7-5-6-10-12(11(7)14)16-9-4-2-1-3-8(9)15-10/h1-6H,C12H6Br2O2,339.873455
115,"1,2,3-Tribromooxanthrene",103456-38-8,DTXSID80145867,190543,"1,2,3-Tribromooxanthrene",KZPCRMUPGLGTEF-UHFFFAOYSA-N,"1,2,3-Tribromooxanthrene",BrC1=C(Br)C(Br)=C2OC3=CC=CC=C3OC2=C1,InChI=1S/C12H5Br3O2/c13-6-5-9-12(11(15)10(6)14)17-8-4-2-1-3-7(8)16-9/h1-5H,C12H5Br3O2,417.783968
116,Tetrabromodibenzo-p-dioxin,103456-39-9,,,Tetrabromodibenzo-p-dioxin,,,,,,
117,"1,2-Dibromodibenzofuran",103456-40-2,DTXSID40145868,190544,"1,2-Dibromodibenzofuran",GPOPKCSRDACCHP-UHFFFAOYSA-N,"1,2-Dibromodibenzo[b,d]furan",BrC1=C(Br)C2=C(OC3=CC=CC=C23)C=C1,InChI=1S/C12H6Br2O/c13-8-5-6-10-11(12(8)14)7-3-1-2-4-9(7)15-10/h1-6H,C12H6Br2O,323.878541
118,"1,2,3-Tribromodibenzo[b,d]furan",103456-41-3,DTXSID10908427,526236,"1,2,3-Tribromodibenzo[b,d]furan",XDHQNCQRLUFFIB-UHFFFAOYSA-N,"1,2,3-Tribromodibenzo[b,d]furan",BrC1=CC2=C(C3=CC=CC=C3O2)C(Br)=C1Br,InChI=1S/C12H5Br3O/c13-7-5-9-10(12(15)11(7)14)6-3-1-2-4-8(6)16-9/h1-5H,C12H5Br3O,401.789054
119,"1,2,3,4,6,7-Hexabromooxanthrene",103456-42-4,DTXSID70908428,526368,"1,2,3,4,6,7-Hexabromooxanthrene",RZDHYIJHBJEYLW-UHFFFAOYSA-N,"1,2,3,4,6,7-Hexabromooxanthrene",BrC1=C(Br)C2=C(OC3=C(Br)C(Br)=C(Br)C(Br)=C3O2)C=C1,InChI=1S/C12H2Br6O2/c13-3-1-2-4-10(5(3)14)20-12-9(18)7(16)6(15)8(17)11(12)19-4/h1-2H,C12H2Br6O2,651.515507
120,Heptabromodibenzo-p-dioxin,103456-43-5,DTXSID901019738,,Heptabromodibenzo-p-dioxin,,,,,,
121,"1,4-Bis(isocyanatomethyl)cyclohexane",10347-54-3,DTXSID2065046,61504,"1,4-Bis(isocyanatomethyl)cyclohexane",ROHUXHMNZLHBSF-UHFFFAOYSA-N,"1,4-Bis(isocyanatomethyl)cyclohexane",O=C=NCC1CCC(CN=C=O)CC1,"InChI=1S/C10H14N2O2/c13-7-11-5-9-1-2-10(4-3-9)6-12-8-14/h9-10H,1-6H2",C10H14N2O2,194.1055277
122,"6,13-Dihydrodibenzo(b,i)phenazine",10350-06-8,DTXSID20145881,82572,"6,13-Dihydrodibenzo(b,i)phenazine",WEZBHKGNUIINBQ-UHFFFAOYSA-N,"6,13-Dihydrodibenzo[b,i]phenazine",N1C2=CC3=CC=CC=C3C=C2NC2=CC3=CC=CC=C3C=C12,"InChI=1S/C20H14N2/c1-2-6-14-10-18-17(9-13(14)5-1)21-19-11-15-7-3-4-8-16(15)12-20(19)22-18/h1-12,21-22H",C20H14N2,282.1156985
123,"1,2,3,4,6,7,8,9-octabromodibenzofuran",103582-29-2,DTXSID90145919,92426,"1,2,3,4,6,7,8,9-octabromodibenzofuran",JRDWDRVPBYIYGL-UHFFFAOYSA-N,"1,2,3,4,6,7,8,9-Octabromodibenzo[b,d]furan",BrC1=C(Br)C(Br)=C(Br)C2=C1OC1=C2C(Br)=C(Br)C(Br)=C1Br,InChI=1S/C12Br8O/c13-3-1-2-4(14)6(16)8(18)10(20)12(2)21-11(1)9(19)7(17)5(3)15,C12Br8O,791.341619
124,Bisoctrizole,103597-45-1,DTXSID2046703,3571576,Bisoctrizole,FQUNFJULCYSSOP-UHFFFAOYSA-N,"2,2'-Methylenebis[6-(2H-benzotriazol-2-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol]",CC(C)(C)CC(C)(C)C1=CC(CC2=C(O)C(=CC(=C2)C(C)(C)CC(C)(C)C)N2N=C3C=CC=CC3=N2)=C(O)C(=C1)N1N=C2C=CC=CC2=N1,"InChI=1S/C41H50N6O2/c1-38(2,3)24-40(7,8)28-20-26(36(48)34(22-28)46-42-30-15-11-12-16-31(30)43-46)19-27-21-29(41(9,10)25-39(4,5)6)23-35(37(27)49)47-44-32-17-13-14-18-33(32)45-47/h11-18,20-23,48-49H,19,24-25H2,1-10H3",C41H50N6O2,658.3995249
125,Name Not Yet Assigned,1036026-12-6,,,Name Not Yet Assigned,SVELQXHKQUZWOU-CPIBMMFKSA-N,,O=N(=O)C1=CC=C(NC2C(O)CC3C4N(CCC53C6=C(OC25)C(O)=CC=C6C4)CC7CC7)C8=NON=C81,"InChI=1S/C26H27N5O6/c32-18-6-3-13-9-17-14-10-19(33)23(27-15-4-5-16(31(34)35)22-21(15)28-37-29-22)25-26(14,20(13)24(18)36-25)7-8-30(17)11-12-1-2-12/h3-6,12,14,17,19,23,25,27,32-33H,1-2,7-11H2",,
126,Name Not Yet Assigned,1036030-03-1,,,Name Not Yet Assigned,XOOHEIDAEYBFIR-AKZICRBLSA-N,,OCC1OC(OC(C(O)C)C1O)C=2C=CC=CC2,"InChI=1S/C13H18O5/c1-8(15)12-11(16)10(7-14)17-13(18-12)9-5-3-2-4-6-9/h2-6,8,10-16H,7H2,1H3",,
127,"cyclopropanecarboxylic acid, 2-ethylhexyl ester",103604-31-5,DTXSID30880817,534919,"cyclopropanecarboxylic acid, 2-ethylhexyl ester",SLRKITAXTDNPSB-UHFFFAOYSA-N,2-Ethylhexyl cyclopropanecarboxylate,CCCCC(CC)COC(=O)C1CC1,"InChI=1S/C12H22O2/c1-3-5-6-10(4-2)9-14-12(13)11-7-8-11/h10-11H,3-9H2,1-2H3",C12H22O2,198.1619799
128,"1,2,3,4-Tetrahydro-1,11,11-trimethyl-1,4-methanophenanthrene (ACI)",1036322-32-3,,606427,"1,2,3,4-Tetrahydro-1,11,11-trimethyl-1,4-methanophenanthrene (ACI)",QWRZOBAOGQBVIH-UHFFFAOYSA-N,"12,15,15-trimethyltetracyclo[10.2.1.02,11.03,8]pentadeca-2(11),3,5,7,9-pentaene",C=1C=CC2=C(C1)C=CC3=C2C4CCC3(C)C4(C)C,"InChI=1S/C18H20/c1-17(2)14-10-11-18(17,3)15-9-8-12-6-4-5-7-13(12)16(14)15/h4-9,14H,10-11H2,1-3H3",C18H20,236.157
129,7-Tetradecene,10374-74-0,DTXSID5074688,25209,7-Tetradecene,UBDIXSAEHLOROW-UHFFFAOYSA-N,Tetradec-7-ene,CCCCCCC=CCCCCCC,"InChI=1S/C14H28/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h13-14H,3-12H2,1-2H3",C14H28,196.2191009
130,"2,6-Di-tert-butyl-4-hydroxy-4-methyl-2,5-cyclohexadien-1-one",10396-80-2,DTXSID10146165,146102,"2,6-Di-tert-butyl-4-hydroxy-4-methyl-2,5-cyclohexadienone",DQBHJILNHNRDTM-UHFFFAOYSA-N,"2,6-Di-tert-butyl-4-hydroxy-4-methylcyclohexa-2,5-dien-1-one",CC(C)(C)C1=CC(C)(O)C=C(C1=O)C(C)(C)C,"InChI=1S/C15H24O2/c1-13(2,3)10-8-15(7,17)9-11(12(10)16)14(4,5)6/h8-9,17H,1-7H3",C15H24O2,236.17763
131,4-Methylbenzeneacetaldehyde,104-09-6,DTXSID0051524,61006,4-Methylbenzeneacetaldehyde,CIXAYNMKFFQEFU-UHFFFAOYSA-N,(4-Methylphenyl)acetaldehyde,CC1=CC=C(CC=O)C=C1,"InChI=1S/C9H10O/c1-8-2-4-9(5-3-8)6-7-10/h2-5,7H,6H2,1H3",C9H10O,134.0731649
132,4-Chlorophenyl isocyanate,104-12-1,DTXSID7040732,7693,4-Chlorophenyl isocyanate,ADAKRBAJFHTIEW-UHFFFAOYSA-N,1-Chloro-4-isocyanatobenzene,ClC1=CC=C(C=C1)N=C=O,InChI=1S/C7H4ClNO/c8-6-1-3-7(4-2-6)9-5-10/h1-4H,C7H4ClNO,152.9981415
133,4-nonylphenol ethoxylate,104-35-8,DTXSID4058601,7700,4-nonylphenol ethoxylate,KUXGUCNZFCVULO-UHFFFAOYSA-N,2-(4-Nonylphenoxy)ethan-1-ol,CCCCCCCCCC1=CC=C(OCCO)C=C1,"InChI=1S/C17H28O2/c1-2-3-4-5-6-7-8-9-16-10-12-17(13-11-16)19-15-14-18/h10-13,18H,2-9,14-15H2,1H3",C17H28O2,264.2089301
134,4-Nonylphenol,104-40-5,DTXSID5033836,1752,4-Nonylphenol,IGFHQQFPSIBGKE-UHFFFAOYSA-N,4-Nonylphenol,CCCCCCCCCC1=CC=C(O)C=C1,"InChI=1S/C15H24O/c1-2-3-4-5-6-7-8-9-14-10-12-15(16)13-11-14/h10-13,16H,2-9H2,1H3",C15H24O,220.1827154
135,Anethole,104-46-1,DTXSID4020086,7703,Anethole,RUVINXPYWBROJD-UHFFFAOYSA-N,1-Methoxy-4-(prop-1-en-1-yl)benzene,COC1=CC=C(C=CC)C=C1,"InChI=1S/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3-8H,1-2H3",C10H12O,148.088815
136,4-Hydroxyoctanoic acid lactone,104-50-7,DTXSID1047609,7704,4-Hydroxyoctanoic acid lactone,IPBFYZQJXZJBFQ-UHFFFAOYSA-N,5-Butyloxolan-2-one,CCCCC1CCC(=O)O1,"InChI=1S/C8H14O2/c1-2-3-4-7-5-6-8(9)10-7/h7H,2-6H2,1H3",C8H14O2,142.0993797
137,Butylbenzene,104-51-8,DTXSID6022472,7705,Butylbenzene,OCKPCBLVNKHBMX-UHFFFAOYSA-N,Butylbenzene,CCCCC1=CC=CC=C1,"InChI=1S/C10H14/c1-2-3-7-10-8-5-4-6-9-10/h4-6,8-9H,2-3,7H2,1H3",C10H14,134.1095505
138,3-Phenyl-2-propen-1-ol,104-54-1,DTXSID9041491,308,3-Phenyl-2-propen-1-ol,OOCCDEMITAIZTP-UHFFFAOYSA-N,3-Phenylprop-2-en-1-ol,OCC=CC1=CC=CC=C1,"InChI=1S/C9H10O/c10-8-4-7-9-5-2-1-3-6-9/h1-7,10H,8H2",C9H10O,134.0731649
139,3-Phenylprop-2-enal,104-55-2,DTXSID1024835,307,3-Phenylprop-2-enal,KJPRLNWUNMBNBZ-UHFFFAOYSA-N,3-Phenylprop-2-enal,O=CC=CC1=CC=CC=C1,InChI=1S/C9H8O/c10-8-4-7-9-5-2-1-3-6-9/h1-8H,C9H8O,132.0575149
140,gamma-Nonanolactone,104-61-0,DTXSID0034229,7710,gamma-Nonanolactone,OALYTRUKMRCXNH-UHFFFAOYSA-N,5-Pentyloxolan-2-one,CCCCCC1CCC(=O)O1,"InChI=1S/C9H16O2/c1-2-3-4-5-8-6-7-9(10)11-8/h8H,2-7H2,1H3",C9H16O2,156.1150298
141,"1,2-Diphenoxyethane",104-66-5,DTXSID5026706,7713,"1,2-Diphenoxyethane",XCSGHNKDXGYELG-UHFFFAOYSA-N,"1,1'-[Ethane-1,2-diylbis(oxy)]dibenzene",C(COC1=CC=CC=C1)OC1=CC=CC=C1,"InChI=1S/C14H14O2/c1-3-7-13(8-4-1)15-11-12-16-14-9-5-2-6-10-14/h1-10H,11-12H2",C14H14O2,214.0993797
142,5-Heptyldihydro-2(3H)-furanone,104-67-6,DTXSID4034287,7714,5-Heptyldihydro-2(3H)-furanone,PHXATPHONSXBIL-UHFFFAOYSA-N,5-Heptyloxolan-2-one,CCCCCCCC1CCC(=O)O1,"InChI=1S/C11H20O2/c1-2-3-4-5-6-7-10-8-9-11(12)13-10/h10H,2-9H2,1H3",C11H20O2,184.1463299
143,Diethylene glycol monophenyl ether,104-68-7,DTXSID0051528,7715,Diethylene glycol monophenyl ether,ZUAURMBNZUCEAF-UHFFFAOYSA-N,2-(2-Phenoxyethoxy)ethan-1-ol,OCCOCCOC1=CC=CC=C1,"InChI=1S/C10H14O3/c11-6-7-12-8-9-13-10-4-2-1-3-5-10/h1-5,11H,6-9H2",C10H14O3,182.0942943
144,2-Ethyl-1-hexanol,104-76-7,DTXSID5020605,7720,2-Ethyl-1-hexanol,YIWUKEYIRIRTPP-UHFFFAOYSA-N,2-Ethylhexan-1-ol,CCCCC(CC)CO,"InChI=1S/C8H18O/c1-3-5-6-8(4-2)7-9/h8-9H,3-7H2,1-2H3",C8H18O,130.1357652
145,4-Methylbenzaldehyde,104-87-0,DTXSID9041520,7725,4-Methylbenzaldehyde,FXLOVSHXALFLKQ-UHFFFAOYSA-N,4-Methylbenzaldehyde,CC1=CC=C(C=O)C=C1,"InChI=1S/C8H8O/c1-7-2-4-8(6-9)5-3-7/h2-6H,1H3",C8H8O,120.0575149
146,5-Ethyl-2-methylpyridine,104-90-5,DTXSID7021861,7728,5-Ethyl-2-methylpyridine,NTSLROIKFLNUIJ-UHFFFAOYSA-N,5-Ethyl-2-methylpyridine,CCC1=CN=C(C)C=C1,"InChI=1S/C8H11N/c1-3-8-5-4-7(2)9-6-8/h4-6H,3H2,1-2H3",C8H11N,121.0891494
147,"Benzene, 1-bromo-4-methoxy-",104-92-7,DTXSID2059308,7730,"Benzene, 1-bromo-4-methoxy-",QJPJQTDYNZXKQF-UHFFFAOYSA-N,1-Bromo-4-methoxybenzene,COC1=CC=C(Br)C=C1,"InChI=1S/C7H7BrO/c1-9-7-4-2-6(8)3-5-7/h2-5H,1H3",C7H7BrO,185.968028
148,1-Methoxy-4-methylbenzene,104-93-8,DTXSID9026710,7731,1-Methoxy-4-methylbenzene,CHLICZRVGGXEOD-UHFFFAOYSA-N,1-Methoxy-4-methylbenzene,COC1=CC=C(C)C=C1,"InChI=1S/C8H10O/c1-7-3-5-8(9-2)6-4-7/h3-6H,1-2H3",C8H10O,122.0731649
149,"1,1?-Biphenyl, 4-(4-ethylcyclohexyl)-4?-(4-methylcyclohexyl)-, [trans(trans)]- (9CI)",104021-92-3,,,"1,1?-Biphenyl, 4-(4-ethylcyclohexyl)-4?-(4-methylcyclohexyl)-, [trans(trans)]- (9CI)",MEXURWLRXYTWGT-KBQPQWKXNA-N,,C=1C=C(C=CC1C=2C=CC(=CC2)C3CCC(CC)CC3)C4CCC(C)CC4,"InChI=1S/C27H36/c1-3-21-6-10-23(11-7-21)25-14-18-27(19-15-25)26-16-12-24(13-17-26)22-8-4-20(2)5-9-22/h12-23H,3-11H2,1-2H3",,
150,"Benzoxazole, 2,2'-(1,2-ethenediyl)bis[5-methyl-",1041-00-5,DTXSID8061426,28419,"Benzoxazole, 2,2'-(1,2-ethenediyl)bis[5-methyl-",VKRZNAWSCAUDRQ-UHFFFAOYSA-N,"2,2'-(Ethene-1,2-diyl)bis(5-methyl-1,3-benzoxazole)",CC1=CC=C2OC(C=CC3=NC4=CC(C)=CC=C4O3)=NC2=C1,"InChI=1S/C18H14N2O2/c1-11-3-5-15-13(9-11)19-17(21-15)7-8-18-20-14-10-12(2)4-6-16(14)22-18/h3-10H,1-2H3",C18H14N2O2,290.1055277
151,Timnodonic acid,10417-94-4,DTXSID9041023,446284,Timnodonic acid,JAZBEHYOTPTENJ-JLNKQSITSA-N,"(5Z,8Z,11Z,14Z,17Z)-Icosa-5,8,11,14,17-pentaenoic acid",CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCC(O)=O,"InChI=1S/C20H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17-19H2,1H3,(H,21,22)/b4-3-,7-6-,10-9-,13-12-,16-15-",C20H30O2,302.2245802
152,cis-11-Eicosenamide,10436-08-5,DTXSID80338252,5365374,cis-11-Eicosenamide,LBHQTVBKPMHICN-KTKRTIGZSA-N,(11Z)-Icos-11-enamide,CCCCCCCC\C=C/CCCCCCCCCC(N)=O,"InChI=1S/C20H39NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h9-10H,2-8,11-19H2,1H3,(H2,21,22)/b10-9-",C20H39NO,309.3031649
153,"13-Docosenamide, (E)- (8CI, 9CI)",10436-09-6,DTXSID901354572,5365369,(13E)-13-Docosenamide,UAUDZVJPLUQNMU-MDZDMXLPSA-N,,CCCCCCCC\C=C\CCCCCCCCCCCC(N)=O,"InChI=1S/C22H43NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h9-10H,2-8,11-21H2,1H3,(H2,23,24)/b10-9+",C22H43NO,337.334465
154,"cyclohexanone, 5-methyl-2-(1-methylethyl)-",10458-14-7,DTXSID80859154,6986,5-Methyl-2-(1-methylethyl)cyclohexanone,NFLGAXVYCFJBMK-UHFFFAOYSA-N,5-Methyl-2-(propan-2-yl)cyclohexan-1-one,CC(C)C1CCC(C)CC1=O,"InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-9H,4-6H2,1-3H3",C10H18O,154.1357652
155,"3,5,8-trimethyl-3,4-dihydro-2H-naphthalen-1-one",10468-60-7,DTXSID60343465,589839,"3,5,8-trimethyl-3,4-dihydro-2H-naphthalen-1-one",NCKPIRHHNXSPKV-UHFFFAOYSA-N,"3,5,8-Trimethyl-3,4-dihydronaphthalen-1(2H)-one",CC1CC(=O)C2=C(C)C=CC(C)=C2C1,"InChI=1S/C13H16O/c1-8-6-11-9(2)4-5-10(3)13(11)12(14)7-8/h4-5,8H,6-7H2,1-3H3",C13H16O,188.1201151
156,"Cyclopentanecarboxylic acid, 2-oxo-, methyl ester",10472-24-9,DTXSID50884473,66328,"Cyclopentanecarboxylic acid, 2-oxo-, methyl ester",PZBBESSUKAHBHD-UHFFFAOYSA-N,Methyl 2-oxocyclopentane-1-carboxylate,COC(=O)C1CCCC1=O,"InChI=1S/C7H10O3/c1-10-7(9)5-3-2-4-6(5)8/h5H,2-4H2,1H3",C7H10O3,142.0629942
157,"2,3-Dimethyl-3-buten-2-ol",10473-13-9,DTXSID70146686,82652,"2,3-Dimethyl-3-buten-2-ol",AWDLBZUXUNIODN-UHFFFAOYSA-N,"2,3-Dimethylbut-3-en-2-ol",CC(=C)C(C)(C)O,"InChI=1S/C6H12O/c1-5(2)6(3,4)7/h7H,1H2,2-4H3",C6H12O,100.088815
158,"2,2-Bis(chloromethyl)-1,3-propanediyl tetrakis(1-chloro-2-propanyl) bis(phosphate)",1047637-37-5,DTXSID20893653,138395011,"2,2-Bis(chloromethyl)-1,3-propanediyl tetrakis(1-chloro-2-propanyl) bis(phosphate)",NQJUKCVIIGJHRZ-UHFFFAOYSA-N,"2,2-Bis(chloromethyl)propane-1,3-diyl tetrakis(1-chloropropan-2-yl) bis(phosphate)",CC(CCl)OP(=O)(OCC(CCl)(CCl)COP(=O)(OC(C)CCl)OC(C)CCl)OC(C)CCl,"InChI=1S/C17H32Cl6O8P2/c1-13(5-18)28-32(24,29-14(2)6-19)26-11-17(9-22,10-23)12-27-33(25,30-15(3)7-20)31-16(4)8-21/h13-16H,5-12H2,1-4H3",C17H32Cl6O8P2,635.9703582
159,N-Ethyldibenzylamine,10479-25-1,DTXSID40146739,82656,N-Ethyldibenzylamine,WBGPDYJIPNTOIB-UHFFFAOYSA-N,"N,N-Dibenzylethanamine",CCN(CC1=CC=CC=C1)CC1=CC=CC=C1,"InChI=1S/C16H19N/c1-2-17(13-15-9-5-3-6-10-15)14-16-11-7-4-8-12-16/h3-12H,2,13-14H2,1H3",C16H19N,225.1517496
160,(L)-alpha-Terpineol,10482-56-1,DTXSID5052672,443162,(L)-alpha-Terpineol,WUOACPNHFRMFPN-SECBINFHSA-N,2-[(1S)-4-Methylcyclohex-3-en-1-yl]propan-2-ol,CC1=CC[C@H](CC1)C(C)(C)O,"InChI=1S/C10H18O/c1-8-4-6-9(7-5-8)10(2,3)11/h4,9,11H,5-7H2,1-3H3/t9-/m1/s1",C10H18O,154.1357652
161,Tridecanal,10486-19-8,DTXSID4021682,25311,Tridecanal,BGEHHAVMRVXCGR-UHFFFAOYSA-N,Tridecanal,CCCCCCCCCCCCC=O,"InChI=1S/C13H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h13H,2-12H2,1H3",C13H26O,198.1983655
162,Diisobutyl sulfone,10495-45-1,DTXSID70146868,139169,Diisobutyl sulfone,ULSLZZKKTPQNNJ-UHFFFAOYSA-N,2-Methyl-1-(2-methylpropane-1-sulfonyl)propane,CC(C)CS(=O)(=O)CC(C)C,"InChI=1S/C8H18O2S/c1-7(2)5-11(9,10)6-8(3)4/h7-8H,5-6H2,1-4H3",C8H18O2S,178.102751
163,"1,4-Diethylbenzene",105-05-5,DTXSID4026711,7734,"1,4-Diethylbenzene",DSNHSQKRULAAEI-UHFFFAOYSA-N,"1,4-Diethylbenzene",CCC1=CC=C(CC)C=C1,"InChI=1S/C10H14/c1-3-9-5-7-10(4-2)8-6-9/h5-8H,3-4H2,1-2H3",C10H14,134.1095505
164,(4-Methoxyphenyl)methanol,105-13-5,DTXSID6044357,7738,(4-Methoxyphenyl)methanol,MSHFRERJPWKJFX-UHFFFAOYSA-N,(4-Methoxyphenyl)methanol,COC1=CC=C(CO)C=C1,"InChI=1S/C8H10O2/c1-10-8-4-2-7(6-9)3-5-8/h2-5,9H,6H2,1H3",C8H10O2,138.0680796
165,gamma-Heptalactone,105-21-5,DTXSID5047611,7742,gamma-Heptalactone,VLSVVMPLPMNWBH-UHFFFAOYSA-N,5-Propyloxolan-2-one,CCCC1CCC(=O)O1,"InChI=1S/C7H12O2/c1-2-3-6-4-5-7(8)9-6/h6H,2-5H2,1H3",C7H12O2,128.0837296
166,2-Methyl-1-pentanol,105-30-6,DTXSID9026714,7745,2-Methyl-1-pentanol,PFNHSEQQEPMLNI-UHFFFAOYSA-N,2-Methylpentan-1-ol,CCCC(C)CO,"InChI=1S/C6H14O/c1-3-4-6(2)5-7/h6-7H,3-5H2,1-2H3",C6H14O,102.1044651
167,Butan-2-yl acetate,105-46-4,DTXSID0047612,7758,Butan-2-yl acetate,DCKVNWZUADLDEH-UHFFFAOYSA-N,Butan-2-yl acetate,CCC(C)OC(C)=O,"InChI=1S/C6H12O2/c1-4-5(2)8-6(3)7/h5H,4H2,1-3H3",C6H12O2,116.0837296
168,Diethyl propanedioate,105-53-3,DTXSID7021863,7761,Diethyl propanedioate,IYXGSMUGOJNHAZ-UHFFFAOYSA-N,Diethyl propanedioate,CCOC(=O)CC(=O)OCC,"InChI=1S/C7H12O4/c1-3-10-6(8)5-7(9)11-4-2/h3-5H2,1-2H3",C7H12O4,160.0735589
169,Ethyl butyrate,105-54-4,DTXSID6040111,7762,Ethyl butyrate,OBNCKNCVKJNDBV-UHFFFAOYSA-N,Ethyl butanoate,CCCC(=O)OCC,"InChI=1S/C6H12O2/c1-3-5-6(7)8-4-2/h3-5H2,1-2H3",C6H12O2,116.0837296
170,Ethyl cyanoacetate,105-56-6,DTXSID9026718,7764,Ethyl cyanoacetate,ZIUSEGSNTOUIPT-UHFFFAOYSA-N,Ethyl cyanoacetate,CCOC(=O)CC#N,"InChI=1S/C5H7NO2/c1-2-8-5(7)3-4-6/h2-3H2,1H3",C5H7NO2,113.0476785
171,Caprolactam,105-60-2,DTXSID4020240,7768,Caprolactam,JBKVHLHDHHXQEQ-UHFFFAOYSA-N,Azepan-2-one,O=C1CCCCCN1,"InChI=1S/C6H11NO/c8-6-4-2-1-3-5-7-6/h1-5H2,(H,7,8)",C6H11NO,113.084064
172,Dibutyl (2E)-but-2-enedioate,105-75-9,DTXSID7021865,5271570,Dibutyl (2E)-but-2-enedioate,JBSLOWBPDRZSMB-BQYQJAHWSA-N,Dibutyl (2E)-but-2-enedioate,CCCCOC(=O)\C=C\C(=O)OCCCC,"InChI=1S/C12H20O4/c1-3-5-9-15-11(13)7-8-12(14)16-10-6-4-2/h7-8H,3-6,9-10H2,1-2H3/b8-7+",C12H20O4,228.1361591
173,Dibutyl maleate,105-76-0,DTXSID3026724,5271569,Dibutyl maleate,JBSLOWBPDRZSMB-FPLPWBNLSA-N,Dibutyl (2Z)-but-2-enedioate,CCCCOC(=O)\C=C/C(=O)OCCCC,"InChI=1S/C12H20O4/c1-3-5-9-15-11(13)7-8-12(14)16-10-6-4-2/h7-8H,3-6,9-10H2,1-2H3/b8-7-",C12H20O4,228.1361591
174,Geranyl acetate,105-87-3,DTXSID0020654,1549026,Geranyl acetate,HIGQPQRQIQDZMP-DHZHZOJOSA-N,"(2E)-3,7-Dimethylocta-2,6-dien-1-yl acetate",CC(C)=CCC\C(C)=C\COC(C)=O,"InChI=1S/C12H20O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h6,8H,5,7,9H2,1-4H3/b11-8+",C12H20O2,196.1463299
175,"1,4-Dioxacycloheptadecane-5,17-dione",105-95-3,DTXSID1044774,61014,"1,4-Dioxacycloheptadecane-5,17-dione",XRHCAGNSDHCHFJ-UHFFFAOYSA-N,"1,4-Dioxacycloheptadecane-5,17-dione",O=C1CCCCCCCCCCCC(=O)OCCO1,InChI=1S/C15H26O4/c16-14-10-8-6-4-2-1-3-5-7-9-11-15(17)19-13-12-18-14/h1-13H2,C15H26O4,270.1831093
176,Dibutyl adipate,105-99-7,DTXSID2021866,7784,Dibutyl adipate,XTJFFFGAUHQWII-UHFFFAOYSA-N,Dibutyl hexanedioate,CCCCOC(=O)CCCCC(=O)OCCCC,"InChI=1S/C14H26O4/c1-3-5-11-17-13(15)9-7-8-10-14(16)18-12-6-4-2/h3-12H2,1-2H3",C14H26O4,258.1831093
177,"1,2-Dideoxy-6-O-[(2S,3S,4R)-3,4-dihydroxy-2-[(1-oxohexacosyl)amino]octadecyl]-2-methyl-D-allo-inositol (ACI)",1050218-72-8,,16681712,"1,2-Dideoxy-6-O-[(2S,3S,4R)-3,4-dihydroxy-2-[(1-oxohexacosyl)amino]octadecyl]-2-methyl-D-allo-inositol (ACI)",KNCMSHBFXXHBMF-VBDPUHEVSA-N,"N-[(2S,3S,4R)-3,4-dihydroxy-1-[(1S,2R,3S,4S,5S)-2,3,4-trihydroxy-5-methylcyclohexyl]oxyoctadecan-2-yl]hexacosanamide",O=C(NC(COC1CC(C)C(O)C(O)C1O)C(O)C(O)CCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C51H101NO7/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-26-27-28-30-32-34-36-38-40-47(54)52-44(42-59-46-41-43(3)48(55)51(58)50(46)57)49(56)45(53)39-37-35-33-31-29-17-15-13-11-9-7-5-2/h43-46,48-51,53,55-58H,4-42H2,1-3H3,(H,52,54)",C51H101NO7,839.758
178,"Rifamycin, 3-[[[4-(4-pyridinylcarbonyl)-1-piperazinyl]imino]methyl]- (9CI)",105115-07-9,,,"Rifamycin, 3-[[[4-(4-pyridinylcarbonyl)-1-piperazinyl]imino]methyl]- (9CI)",YLFJTJWPTOMKGC-BAYNWKNSSA-N,,O=C(OC1C(C)C(OC)C=COC2(OC3=C(C2=O)C4=C(O)C(C=NN5CCN(C(=O)C=6C=CN=CC6)CC5)=C(NC(=O)C(=CC=CC(C)C(O)C(C)C(O)C1C)C)C(O)=C4C(O)=C3C)C)C,"InChI=1S/C48H59N5O13/c1-24-11-10-12-25(2)46(61)51-37-32(23-50-53-20-18-52(19-21-53)47(62)31-13-16-49-17-14-31)41(58)34-35(42(37)59)40(57)29(6)44-36(34)45(60)48(8,66-44)64-22-15-33(63-9)26(3)43(65-30(7)54)28(5)39(56)27(4)38(24)55/h10-17,22-24,26-28,33,38-39,43,55-59H,18-21H2,1-9H3,(H,51,61)",,
179,"1,2,3,4,4a,9,10,10a-Octahydro-1,1-dimethyl-7-(1-methylethyl)phenanthrene (ACI)",105215-15-4,,617792,"1,2,3,4,4a,9,10,10a-Octahydro-1,1-dimethyl-7-(1-methylethyl)phenanthrene (ACI)",IIFHBZWHFCHZNQ-UHFFFAOYSA-N,"1,1-dimethyl-7-propan-2-yl-3,4,4a,9,10,10a-hexahydro-2H-phenanthrene",C=1C=C2C(=CC1C(C)C)CCC3C2CCCC3(C)C,"InChI=1S/C19H28/c1-13(2)14-7-9-16-15(12-14)8-10-18-17(16)6-5-11-19(18,3)4/h7,9,12-13,17-18H,5-6,8,10-11H2,1-4H3",C19H28,256.219
180,2-Methyl-1-undecanol,10522-26-6,DTXSID20864287,66341,2-Methyl-1-undecanol,FGZXHVORLPLICA-UHFFFAOYSA-N,2-Methylundecan-1-ol,CCCCCCCCCC(C)CO,"InChI=1S/C12H26O/c1-3-4-5-6-7-8-9-10-12(2)11-13/h12-13H,3-11H2,1-2H3",C12H26O,186.1983655
181,Name Not Yet Assigned,1053626-55-3,,9833316,Name Not Yet Assigned,PXJGDANGHIMRRK-KGHGHQAOSA-N,"[(2R,3S,4S,5R,6S)-6-[[(2R,3S,4R,5R,6R)-5-(2-oxobutyl)-3,4-di(propanoyloxy)-6-[(2S,3S,4S,5S)-2,3,4,5-tetra(propanoyloxy)oxolan-2-yl]oxyoxan-2-yl]methoxy]-3,4,5-tri(propanoyloxy)oxan-2-yl]methyl propanoate",O=C(OCC1OC(OCC2OC(OC3(OC(=O)CC)OC(OC(=O)CC)C(OC(=O)CC)C3OC(=O)CC)C(CC(=O)CC)C(OC(=O)CC)C2OC(=O)CC)C(OC(=O)CC)C(OC(=O)CC)C1OC(=O)CC)CC,"InChI=1S/C50H74O26/c1-12-26(51)23-27-40(66-31(53)14-3)41(67-32(54)15-4)29(25-63-48-44(70-35(57)18-7)43(69-34(56)17-6)42(68-33(55)16-5)28(65-48)24-62-30(52)13-2)64-47(27)75-50(74-39(61)22-11)46(72-37(59)20-9)45(71-36(58)19-8)49(76-50)73-38(60)21-10/h27-29,40-49H,12-25H2,1-11H3",C50H74O26,1090.45
182,"Ethanone, 1-(4-octylphenyl)-",10541-56-7,DTXSID3065116,66344,"Ethanone, 1-(4-octylphenyl)-",GARQDIVXKVBJFP-UHFFFAOYSA-N,1-(4-Octylphenyl)ethan-1-one,CCCCCCCCC1=CC=C(C=C1)C(C)=O,"InChI=1S/C16H24O/c1-3-4-5-6-7-8-9-15-10-12-16(13-11-15)14(2)17/h10-13H,3-9H2,1-2H3",C16H24O,232.1827154
183,Octasulfur,10544-50-0,DTXSID80872924,66348,Octasulfur,JLQNHALFVCURHW-UHFFFAOYSA-N,Octathiocane,S1SSSSSSS1,InChI=1S/S8/c1-2-4-6-8-7-5-3-1,S8,255.7765694
184,4-Methyloctadecane,10544-95-3,DTXSID50909534,517866,4-Methyloctadecane,GEGZZJBPFKEDHM-UHFFFAOYSA-N,4-Methyloctadecane,CCCCCCCCCCCCCCC(C)CCC,"InChI=1S/C19H40/c1-4-6-7-8-9-10-11-12-13-14-15-16-18-19(3)17-5-2/h19H,4-18H2,1-3H3",C19H40,268.3130013
185,"Benzamide, N-propyl-",10546-70-0,DTXSID60147142,25354,"Benzamide, N-propyl-",DYZWXBMTHNHXML-UHFFFAOYSA-N,N-Propylbenzamide,CCCNC(=O)C1=CC=CC=C1,"InChI=1S/C10H13NO/c1-2-8-11-10(12)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H,11,12)",C10H13NO,163.099714
186,"N-[(1S,2S,3R)-2,3-Dihydroxy-1-[4-[(2R,3R,4R,5R,6R)-tetrahydro-3,4,5-trihydroxy-6-(hydroxymethyl)-2H-pyran-2-yl]butyl]heptadecyl]hexacosanamide (ACI)",1055033-85-6,,10418225,"N-[(1S,2S,3R)-2,3-Dihydroxy-1-[4-[(2R,3R,4R,5R,6R)-tetrahydro-3,4,5-trihydroxy-6-(hydroxymethyl)-2H-pyran-2-yl]butyl]heptadecyl]hexacosanamide (ACI)",HDMWCNSFEHTQCY-AGPZRRDPSA-N,"N-[(5S,6S,7R)-6,7-dihydroxy-1-[(2R,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]henicosan-5-yl]hexacosanamide",O=C(NC(CCCCC1OC(CO)C(O)C(O)C1O)C(O)C(O)CCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C53H105NO8/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-29-31-33-35-37-43-49(57)54-45(40-38-39-42-47-51(59)53(61)52(60)48(44-55)62-47)50(58)46(56)41-36-34-32-30-28-16-14-12-10-8-6-4-2/h45-48,50-53,55-56,58-61H,3-44H2,1-2H3,(H,54,57)",C53H105NO8,883.784
187,1-Heptatriacontanol,105794-58-9,DTXSID40336890,537071,1-Heptatriacontanol,ZGJKNMPTVDDRRH-UHFFFAOYSA-N,Heptatriacontan-1-ol,CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO,"InChI=1S/C37H76O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38/h38H,2-37H2,1H3",C37H76O,536.5896171
188,Stigmast-4-en-3-one,1058-61-3,DTXSID50862519,5484202,Stigmast-4-en-3-one,RUVUHIUYGJBLGI-XJZKHKOHSA-N,Stigmast-4-en-3-one,[H][C@@]1(CC[C@@]2([H])[C@]3([H])CCC4=CC(=O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CC[C@@H](CC)C(C)C,"InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h18-21,24-27H,7-17H2,1-6H3/t20-,21-,24+,25-,26+,27+,28+,29-/m1/s1",C29H48O,412.3705162
189,"4,4?,4??,4???-(2?,4?,6?,8?)-1,3,5,7,2,4,6,8-Tetroxatetrarsocane-2,4,6,8-tetrayltetrakis[2-nitrophenol] (ACI)",1059181-25-7,,,"4,4?,4??,4???-(2?,4?,6?,8?)-1,3,5,7,2,4,6,8-Tetroxatetrarsocane-2,4,6,8-tetrayltetrakis[2-nitrophenol] (ACI)",XPKWREINFOFULB-PCYFZWJMNA-N,,O=N(=O)C1=CC(=CC=C1O)[As]2O[As](O[As](O[As](O2)C3=CC=C(O)C(=C3)N(=O)=O)C4=CC=C(O)C(=C4)N(=O)=O)C5=CC=C(O)C(=C5)N(=O)=O,"InChI=1S/C24H16As4N4O16/c33-21-5-1-13(9-17(21)29(37)38)25-45-26(14-2-6-22(34)18(10-14)30(39)40)47-28(16-4-8-24(36)20(12-16)32(43)44)48-27(46-25)15-3-7-23(35)19(11-15)31(41)42/h1-12,33-36H",,
190,Dipropyl hexanedioate,106-19-4,DTXSID6044511,7790,Dipropyl hexanedioate,NKOUWLLFHNBUDW-UHFFFAOYSA-N,Dipropyl hexanedioate,CCCOC(=O)CCCCC(=O)OCCC,"InChI=1S/C12H22O4/c1-3-9-15-11(13)7-5-6-8-12(14)16-10-4-2/h3-10H2,1-2H3",C12H22O4,230.1518092
191,Citronellol,106-22-9,DTXSID3026726,8842,Citronellol,QMVPMAAFGQKVCJ-UHFFFAOYSA-N,"3,7-Dimethyloct-6-en-1-ol",CC(CCO)CCC=C(C)C,"InChI=1S/C10H20O/c1-9(2)5-4-6-10(3)7-8-11/h5,10-11H,4,6-8H2,1-3H3",C10H20O,156.1514153
192,Citronellal,106-23-0,DTXSID3041790,7794,Citronellal,NEHNMFOYXAPHSD-UHFFFAOYSA-N,"3,7-Dimethyloct-6-enal",CC(CCC=C(C)C)CC=O,"InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,8,10H,4,6-7H2,1-3H3",C10H18O,154.1357652
193,"(2E)-3,7-Dimethyl-2,6-octadien-1-ol",106-24-1,DTXSID8026727,637566,"(2E)-3,7-Dimethyl-2,6-octadien-1-ol",GLZPCOQZEFWAFX-JXMROGBWSA-N,"(2E)-3,7-Dimethylocta-2,6-dien-1-ol",CC(C)=CCC\C(C)=C\CO,"InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,7,11H,4,6,8H2,1-3H3/b10-7+",C10H18O,154.1357652
194,Ethyl heptanoate,106-30-9,DTXSID1040112,7797,Ethyl heptanoate,TVQGDYNRXLTQAP-UHFFFAOYSA-N,Ethyl heptanoate,CCCCCCC(=O)OCC,"InChI=1S/C9H18O2/c1-3-5-6-7-8-9(10)11-4-2/h3-8H2,1-2H3",C9H18O2,158.1306798
195,Ethyl dodecanoate,106-33-2,DTXSID4047044,7800,Ethyl dodecanoate,MMXKVMNBHPAILY-UHFFFAOYSA-N,Ethyl dodecanoate,CCCCCCCCCCCC(=O)OCC,"InChI=1S/C14H28O2/c1-3-5-6-7-8-9-10-11-12-13-14(15)16-4-2/h3-13H2,1-2H3",C14H28O2,228.2089301
196,3-Heptanone,106-35-4,DTXSID2047438,7802,3-Heptanone,NGAZZOYFWWSOGK-UHFFFAOYSA-N,Heptan-3-one,CCCCC(=O)CC,"InChI=1S/C7H14O/c1-3-5-6-7(8)4-2/h3-6H2,1-2H3",C7H14O,114.1044651
198,p-Xylene,106-42-3,DTXSID2021868,7809,p-Xylene,URLKBWYHVLBVBO-UHFFFAOYSA-N,"1,4-Xylene",CC1=CC=C(C)C=C1,"InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3",C8H10,106.0782503
199,4-Chlorotoluene,106-43-4,DTXSID8024814,7810,4-Chlorotoluene,NPDACUSDTOMAMK-UHFFFAOYSA-N,1-Chloro-4-methylbenzene,CC1=CC=C(Cl)C=C1,"InChI=1S/C7H7Cl/c1-6-2-4-7(8)5-3-6/h2-5H,1H3",C7H7Cl,126.0236279
200,p-Cresol,106-44-5,DTXSID7021869,2879,p-Cresol,IWDCLRJOBJJRNH-UHFFFAOYSA-N,4-Methylphenol,CC1=CC=C(O)C=C1,"InChI=1S/C7H8O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3",C7H8O,108.0575149
201,"1,4-Dichlorobenzene",106-46-7,DTXSID1020431,4685,"1,4-Dichlorobenzene",OCJBOOLMMGQPQU-UHFFFAOYSA-N,"1,4-Dichlorobenzene",ClC1=CC=C(Cl)C=C1,InChI=1S/C6H4Cl2/c7-5-1-2-6(8)4-3-5/h1-4H,C6H4Cl2,145.9690055
202,4-Methylbenzenamine,106-49-0,DTXSID6021872,7813,4-Methylbenzenamine,RZXMPPFPUUCRFN-UHFFFAOYSA-N,4-Methylaniline,CC1=CC=C(N)C=C1,"InChI=1S/C7H9N/c1-6-2-4-7(8)5-3-6/h2-5H,8H2,1H3",C7H9N,107.0734993
203,"1,4-Dimethylpiperazine",106-58-1,DTXSID8051544,7818,"1,4-Dimethylpiperazine",RXYPXQSKLGGKOL-UHFFFAOYSA-N,"1,4-Dimethylpiperazine",CN1CCN(C)CC1,"InChI=1S/C6H14N2/c1-7-3-5-8(2)6-4-7/h3-6H2,1-2H3",C6H14N2,114.1156985
204,Glycerol 1-monoacetate,106-61-6,DTXSID4041579,33510,Glycerol 1-monoacetate,KMZHZAAOEWVPSE-UHFFFAOYSA-N,"2,3-Dihydroxypropyl acetate",CC(=O)OCC(O)CO,"InChI=1S/C5H10O4/c1-4(7)9-3-5(8)2-6/h5-6,8H,2-3H2,1H3",C5H10O4,134.0579088
205,"1-propanol, 2-(2-hydroxypropoxy)-",106-62-7,DTXSID30861722,32881,"1-propanol, 2-(2-hydroxypropoxy)-",DUFKCOQISQKSAV-UHFFFAOYSA-N,2-(2-Hydroxypropoxy)propan-1-ol,CC(O)COC(C)CO,"InChI=1S/C6H14O3/c1-5(8)4-9-6(2)3-7/h5-8H,3-4H2,1-2H3",C6H14O3,134.0942943
206,Isobutyl acrylate,106-63-8,DTXSID1021873,7819,Isobutyl acrylate,CFVWNXQPGQOHRJ-UHFFFAOYSA-N,2-Methylpropyl prop-2-enoate,CC(C)COC(=O)C=C,"InChI=1S/C7H12O2/c1-4-7(8)9-5-6(2)3/h4,6H,1,5H2,2-3H3",C7H12O2,128.0837296
207,Dimethyl succinate,106-65-0,DTXSID5025152,7820,Dimethyl succinate,MUXOBHXGJLMRAB-UHFFFAOYSA-N,Dimethyl butanedioate,COC(=O)CCC(=O)OC,"InChI=1S/C6H10O4/c1-9-5(7)3-4-6(8)10-2/h3-4H2,1-2H3",C6H10O4,146.0579088
208,"1-pentanol, 2-ethyl-4-methyl-",106-67-2,DTXSID90861723,7821,"1-pentanol, 2-ethyl-4-methyl-",QCHSJPKDWOFACC-UHFFFAOYSA-N,2-Ethyl-4-methylpentan-1-ol,CCC(CO)CC(C)C,"InChI=1S/C8H18O/c1-4-8(6-9)5-7(2)3/h7-9H,4-6H2,1-3H3",C8H18O,130.1357652
209,Methyl hexanoate,106-70-7,DTXSID0047616,7824,Methyl hexanoate,NUKZAGXMHTUAFE-UHFFFAOYSA-N,Methyl hexanoate,CCCCCC(=O)OC,"InChI=1S/C7H14O2/c1-3-4-5-6-7(8)9-2/h3-6H2,1-2H3",C7H14O2,130.0993797
210,Dimethyl decanedioate,106-79-6,DTXSID1026740,7829,Dimethyl decanedioate,ALOUNLDAKADEEB-UHFFFAOYSA-N,Dimethyl decanedioate,COC(=O)CCCCCCCCC(=O)OC,"InChI=1S/C12H22O4/c1-15-11(13)9-7-5-3-4-6-8-10-12(14)16-2/h3-10H2,1-2H3",C12H22O4,230.1518092
211,Glycidyl methacrylate,106-91-2,DTXSID0025361,7837,Glycidyl methacrylate,VOZRXNHHFUQHIL-UHFFFAOYSA-N,(Oxiran-2-yl)methyl 2-methylprop-2-enoate,CC(=C)C(=O)OCC1CO1,"InChI=1S/C7H10O3/c1-5(2)7(8)10-4-6-3-9-6/h6H,1,3-4H2,2H3",C7H10O3,142.0629942
212,"1,2-Dibromoethane",106-93-4,DTXSID3020415,7839,"1,2-Dibromoethane",PAAZPARNPHGIKF-UHFFFAOYSA-N,"1,2-Dibromoethane",BrCCBr,InChI=1S/C2H4Br2/c3-1-2-4/h1-2H2,C2H4Br2,185.867976
213,1-Butene,106-98-9,DTXSID1026746,7844,1-Butene,VXNZUUAINFGPBY-UHFFFAOYSA-N,But-1-ene,CCC=C,"InChI=1S/C4H8/c1-3-4-2/h3H,1,4H2,2H3",C4H8,56.06260026
214,P-[[2-[[[(Aminoiminomethyl)amino]carbonyl]amino]ethoxy]methyl]phosphonic acid (ACI),1061735-21-4,,44560955,P-[[2-[[[(Aminoiminomethyl)amino]carbonyl]amino]ethoxy]methyl]phosphonic acid (ACI),SBNCHLFQTRZRQQ-UHFFFAOYSA-N,2-(diaminomethylidenecarbamoylamino)ethoxymethylphosphonic acid,O=C(NC(=N)N)NCCOCP(=O)(O)O,"InChI=1S/C5H13N4O5P/c6-4(7)9-5(10)8-1-2-14-3-15(11,12)13/h1-3H2,(H2,11,12,13)(H5,6,7,8,9,10)",C5H13N4O5P,240.062
215,"1H-Pyrazole, 4,5-dihydro-5,5-dimethyl-4-(1-methylethylidene)-",106251-09-6,DTXSID80339663,557693,"1H-Pyrazole, 4,5-dihydro-5,5-dimethyl-4-(1-methylethylidene)-",DKLRQEIICLZTQW-UHFFFAOYSA-N,"5,5-Dimethyl-4-(propan-2-ylidene)-4,5-dihydro-1H-pyrazole",CC(C)=C1C=NNC1(C)C,"InChI=1S/C8H14N2/c1-6(2)7-5-9-10-8(7,3)4/h5,10H,1-4H3",C8H14N2,138.1156985
216,"1-Benzofuran--2,3,4,5-tetrabromo-1-benzofuran (1/1)",106340-44-7,DTXSID60909984,53432682,"1-Benzofuran--2,3,4,5-tetrabromo-1-benzofuran (1/1)",SQGCCUIYLHNBBK-UHFFFAOYSA-N,"1-Benzofuran--2,3,4,5-tetrabromo-1-benzofuran (1/1)",O1C=CC2=CC=CC=C12.BrC1=C(Br)C2=C(O1)C=CC(Br)=C2Br,InChI=1S/C8H2Br4O.C8H6O/c9-3-1-2-4-5(6(3)10)7(11)8(12)13-4;1-2-4-8-7(3-1)5-6-9-8/h1-2H;1-6H,C16H8Br4O2,547.725781
218,Trimethylsilanol,1066-40-6,DTXSID7061433,66110,Trimethylsilanol,AAPLIUHOKVUFCC-UHFFFAOYSA-N,Trimethylsilanol,C[Si](C)(C)O,"InChI=1S/C3H10OSi/c1-5(2,3)4/h4H,1-3H3",C3H10OSi,90.05009148
219,Aminomethylphosphonic acid,1066-51-9,DTXSID5037490,14017,Aminomethylphosphonic acid,MGRVRXRGTBOSHW-UHFFFAOYSA-N,(Aminomethyl)phosphonic acid,NCP(O)(O)=O,"InChI=1S/CH6NO3P/c2-1-6(3,4)5/h1-2H2,(H2,3,4,5)",CH6NO3P,111.0085301
220,2-{[(7-Methyloctyl)oxy]carbonyl}benzoic acid,106610-61-1,DTXSID80910057,110394,2-{[(7-Methyloctyl)oxy]carbonyl}benzoic acid,RNCMBSSLYOAVRT-UHFFFAOYSA-N,2-{[(7-Methyloctyl)oxy]carbonyl}benzoic acid,CC(C)CCCCCCOC(=O)C1=CC=CC=C1C(O)=O,"InChI=1S/C17H24O4/c1-13(2)9-5-3-4-8-12-21-17(20)15-11-7-6-10-14(15)16(18)19/h6-7,10-11,13H,3-5,8-9,12H2,1-2H3,(H,18,19)",C17H24O4,292.1674593
221,2-Hydroxy-1-[4-(2-hydroxyethoxy)phenyl]-2-methylpropan-1-one,106797-53-9,DTXSID6044777,86266,2-Hydroxy-1-[4-(2-hydroxyethoxy)phenyl]-2-methylpropan-1-one,GJKGAPPUXSSCFI-UHFFFAOYSA-N,2-Hydroxy-1-[4-(2-hydroxyethoxy)phenyl]-2-methylpropan-1-one,CC(C)(O)C(=O)C1=CC=C(OCCO)C=C1,"InChI=1S/C12H16O4/c1-12(2,15)11(14)9-3-5-10(6-4-9)16-8-7-13/h3-6,13,15H,7-8H2,1-2H3",C12H16O4,224.104859
222,Acrolein,107-02-8,DTXSID5020023,7847,Acrolein,HGINCPLSRVDWNT-UHFFFAOYSA-N,Prop-2-enal,C=CC=O,"InChI=1S/C3H4O/c1-2-3-4/h2-3H,1H2",C3H4O,56.02621475
223,"1,2-Dichloroethane",107-06-2,DTXSID6020438,11,"1,2-Dichloroethane",WSLDOOZREJYCGB-UHFFFAOYSA-N,"1,2-Dichloroethane",ClCCCl,InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2,C2H4Cl2,97.9690055
224,Ethylene glycol,107-21-1,DTXSID8020597,174,Ethylene glycol,LYCAIKOWRPUZTN-UHFFFAOYSA-N,"Ethane-1,2-diol",OCCO,"InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2",C2H6O2,62.03677943
225,"Phosphoric acid, dibutyl ester",107-66-4,DTXSID3040728,7881,"Phosphoric acid, dibutyl ester",JYFHYPJRHGVZDY-UHFFFAOYSA-N,Dibutyl hydrogen phosphate,CCCCOP(O)(=O)OCCCC,"InChI=1S/C8H19O4P/c1-3-5-7-11-13(9,10)12-8-6-4-2/h3-8H2,1-2H3,(H,9,10)",C8H19O4P,210.1020961
226,Hydroxycitronellal,107-75-5,DTXSID6042232,7888,Hydroxycitronellal,WPFVBOQKRVRMJB-UHFFFAOYSA-N,"7-Hydroxy-3,7-dimethyloctanal",CC(CCCC(C)(C)O)CC=O,"InChI=1S/C10H20O2/c1-9(6-8-11)5-4-7-10(2,3)12/h8-9,12H,4-7H2,1-3H3",C10H20O2,172.1463299
227,3-Methylbut-2-enal,107-86-8,DTXSID8029606,61020,3-Methylbut-2-enal,SEPQTYODOKLVSB-UHFFFAOYSA-N,3-Methylbut-2-enal,CC(C)=CC=O,"InChI=1S/C5H8O/c1-5(2)3-4-6/h3-4H,1-2H3",C5H8O,84.05751488
228,Butanimidamide,107-90-4,DTXSID60274604,18182,Butanimidamide,RXKUYBRRTKRGME-UHFFFAOYSA-N,Butanimidamide,CCCC(N)=N,"InChI=1S/C4H10N2/c1-2-3-4(5)6/h2-3H2,1H3,(H3,5,6)",C4H10N2,86.08439833
229,Butanoic acid,107-92-6,DTXSID8021515,264,Butanoic acid,FERIUCNNQQJTOY-UHFFFAOYSA-N,Butanoic acid,CCCC(O)=O,"InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)",C4H8O2,88.0524295
230,(E)-Crotonic acid,107-93-7,DTXSID30880973,637090,(E)-Crotonic acid,LDHQCZJRKDOVOX-NSCUHMNNSA-N,(2E)-But-2-enoic acid,C\C=C\C(O)=O,"InChI=1S/C4H6O2/c1-2-3-4(5)6/h2-3H,1H3,(H,5,6)/b3-2+",C4H6O2,86.03677943
231,1-Methoxy-2-propanol,107-98-2,DTXSID8024284,7900,1-Methoxy-2-propanol,ARXJGSRGQADJSQ-UHFFFAOYSA-N,1-Methoxypropan-2-ol,COCC(C)O,"InChI=1S/C4H10O2/c1-4(5)3-6-2/h4-5H,3H2,1-2H3",C4H10O2,90.06807956
232,"Ethanamine, 2-chloro-N,N-dimethyl-",107-99-3,DTXSID2059356,7901,"Ethanamine, 2-chloro-N,N-dimethyl-",WQMAANNAZKNUDL-UHFFFAOYSA-N,"2-Chloro-N,N-dimethylethan-1-amine",CN(C)CCCl,"InChI=1S/C4H10ClN/c1-6(2)4-3-5/h3-4H2,1-2H3",C4H10ClN,107.050177
233,"Pentane, 2,2,4,4-tetramethyl- (8CI)(9CI)",1070-87-7,DTXSID70147870,14058,"Pentane, 2,2,4,4-tetramethyl- (8CI)(9CI)",GUMULFRCHLJNDY-UHFFFAOYSA-N,"2,2,4,4-Tetramethylpentane",CC(C)(C)CC(C)(C)C,"InChI=1S/C9H20/c1-8(2,3)7-9(4,5)6/h7H2,1-6H3",C9H20,128.1565006
234,"Octane, 2,2,7,7-tetramethyl-",1071-31-4,DTXSID70147911,66116,"Octane, 2,2,7,7-tetramethyl-",QZUFNKONEPLWBC-UHFFFAOYSA-N,"2,2,7,7-Tetramethyloctane",CC(C)(C)CCCCC(C)(C)C,"InChI=1S/C12H26/c1-11(2,3)9-7-8-10-12(4,5)6/h7-10H2,1-6H3",C12H26,170.2034508
235,Glyphosate,1071-83-6,DTXSID1024122,3496,Glyphosate,XDDAORKBJWWYJS-UHFFFAOYSA-N,N-(Phosphonomethyl)glycine,OC(=O)CNCP(O)(O)=O,"InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)",C3H8NO5P,169.0140094
236,"2,5,8,11,14,17,20-Heptaoxahenicosane",1072-40-8,DTXSID50147939,70621,"2,5,8,11,14,17,20-Heptaoxahenicosane",VMCIKMLQXFLKAX-UHFFFAOYSA-N,"2,5,8,11,14,17,20-Heptaoxahenicosane",COCCOCCOCCOCCOCCOCCOC,"InChI=1S/C14H30O7/c1-15-3-5-17-7-9-19-11-13-21-14-12-20-10-8-18-6-4-16-2/h3-14H2,1-2H3",C14H30O7,310.1991533
237,16-Hydroxy-4-oxoretinoic acid (ACI),107257-23-8,,165357559,16-Hydroxy-4-oxoretinoic acid (ACI),UWNJDGDPQWPMBF-UHFFFAOYSA-N,"9-[6-(hydroxymethyl)-2,6-dimethyl-3-oxocyclohexen-1-yl]-3,7-dimethylnona-2,4,6,8-tetraenoic acid",O=C(O)C=C(C=CC=C(C=CC1=C(C(=O)CCC1(C)CO)C)C)C,"InChI=1S/C20H26O4/c1-14(6-5-7-15(2)12-19(23)24)8-9-17-16(3)18(22)10-11-20(17,4)13-21/h5-9,12,21H,10-11,13H2,1-4H3,(H,23,24)",C20H26O4,330.183
238,"2,5-cyclohexadien-1-one, 4,4-dimethyl-",1073-14-9,DTXSID10339459,556333,"2,5-cyclohexadien-1-one, 4,4-dimethyl-",YKDJBIPPVNMAGR-UHFFFAOYSA-N,"4,4-Dimethylcyclohexa-2,5-dien-1-one",CC1(C)C=CC(=O)C=C1,"InChI=1S/C8H10O/c1-8(2)5-3-7(9)4-6-8/h3-6H,1-2H3",C8H10O,122.0731649
239,1-Methyl-3-propylbenzene,1074-43-7,DTXSID4061468,14092,1-Methyl-3-propylbenzene,QUEBYVKXYIKVSO-UHFFFAOYSA-N,1-Methyl-3-propylbenzene,CCCC1=CC(C)=CC=C1,"InChI=1S/C10H14/c1-3-5-10-7-4-6-9(2)8-10/h4,6-8H,3,5H2,1-2H3",C10H14,134.1095505
240,3-Anilinopropionitrile,1075-76-9,DTXSID8051548,14100,3-Anilinopropionitrile,FENJKTQEFUPECW-UHFFFAOYSA-N,3-Anilinopropanenitrile,N#CCCNC1=CC=CC=C1,"InChI=1S/C9H10N2/c10-7-4-8-11-9-5-2-1-3-6-9/h1-3,5-6,11H,4,8H2",C9H10N2,146.0843983
241,"1,2,3,7,8-Pentabromodibenzo[b,d]furan",107555-93-1,DTXSID60869478,86281,"1,2,3,7,8-Pentabromodibenzo[b,d]furan",QMKPILUKNSMQTD-UHFFFAOYSA-N,"1,2,3,7,8-Pentabromodibenzo[b,d]furan",BrC1=CC2=C(C=C1Br)C1=C(O2)C=C(Br)C(Br)=C1Br,InChI=1S/C12H3Br5O/c13-5-1-4-8(2-6(5)14)18-9-3-7(15)11(16)12(17)10(4)9/h1-3H,C12H3Br5O,557.61008
243,"1,2,3,4,6,7,8-Heptabromodibenzofuran",107555-95-3,DTXSID7073779,176052,"1,2,3,4,6,7,8-Heptabromodibenzofuran",JISOUFWSRUCDMJ-UHFFFAOYSA-N,"1,2,3,4,6,7,8-Heptabromodibenzo[b,d]furan",BrC1=CC2=C(OC3=C2C(Br)=C(Br)C(Br)=C3Br)C(Br)=C1Br,InChI=1S/C12HBr7O/c13-3-1-2-4-6(15)7(16)8(17)10(19)12(4)20-11(2)9(18)5(3)14/h1H,C12HBr7O,713.431106
244,"Benzene, hexyl-",1077-16-3,DTXSID8061476,14109,"Benzene, hexyl-",LTEQMZWBSYACLV-UHFFFAOYSA-N,Hexylbenzene,CCCCCCC1=CC=CC=C1,"InChI=1S/C12H18/c1-2-3-4-6-9-12-10-7-5-8-11-12/h5,7-8,10-11H,2-4,6,9H2,1H3",C12H18,162.1408506
246,Heptylbenzene,1078-71-3,DTXSID3061477,14115,Heptylbenzene,LBNXAWYDQUGHGX-UHFFFAOYSA-N,Heptylbenzene,CCCCCCCC1=CC=CC=C1,"InChI=1S/C13H20/c1-2-3-4-5-7-10-13-11-8-6-9-12-13/h6,8-9,11-12H,2-5,7,10H2,1H3",C13H20,176.1565006
247,4-Amino-7-(diethylamino)-2H-1-benzopyran-2-one (ACI),107995-76-6,,612530,4-Amino-7-(diethylamino)-2H-1-benzopyran-2-one (ACI),ZWMJHQPSELHDQT-UHFFFAOYSA-N,4-amino-7-(diethylamino)chromen-2-one,O=C1OC=2C=C(C=CC2C(N)=C1)N(CC)CC,"InChI=1S/C13H16N2O2/c1-3-15(4-2)9-5-6-10-11(14)8-13(16)17-12(10)7-9/h5-8H,3-4,14H2,1-2H3",C13H16N2O2,232.121
248,"1,2,3-Trimethyl-4-(3-methylbutyl)benzene",107997-59-1,DTXSID30872999,583844,"1,2,3-Trimethyl-4-(3-methylbutyl)benzene",OXSWQPRWBPNIAX-UHFFFAOYSA-N,"1,2,3-Trimethyl-4-(3-methylbutyl)benzene",CC(C)CCC1=C(C)C(C)=C(C)C=C1,"InChI=1S/C14H22/c1-10(2)6-8-14-9-7-11(3)12(4)13(14)5/h7,9-10H,6,8H2,1-5H3",C14H22,190.1721507
249,Dimethylaminoethanol,108-01-0,DTXSID2020505,7902,Dimethylaminoethanol,UEEJHVSXFDXPFK-UHFFFAOYSA-N,2-(Dimethylamino)ethan-1-ol,CN(C)CCO,"InChI=1S/C4H11NO/c1-5(2)3-4-6/h6H,3-4H2,1-2H3",C4H11NO,89.08406398
250,Vinyl acetate,108-05-4,DTXSID3021431,7904,Vinyl acetate,XTXRWKRVRITETP-UHFFFAOYSA-N,Ethenyl acetate,CC(=O)OC=C,"InChI=1S/C4H6O2/c1-3-6-4(2)5/h3H,1H2,2H3",C4H6O2,86.03677943
251,4-Methyl-2-pentanone,108-10-1,DTXSID5021889,7909,4-Methyl-2-pentanone,NTIZESTWPVYFNL-UHFFFAOYSA-N,4-Methylpentan-2-one,CC(C)CC(C)=O,"InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3",C6H12O,100.088815
252,4-Methyl-2-pentanol,108-11-2,DTXSID2026781,7910,4-Methyl-2-pentanol,WVYWICLMDOOCFB-UHFFFAOYSA-N,4-Methylpentan-2-ol,CC(C)CC(C)O,"InChI=1S/C6H14O/c1-5(2)4-6(3)7/h5-7H,4H2,1-3H3",C6H14O,102.1044651
253,Isopropyl acetate,108-21-4,DTXSID2025478,7915,Isopropyl acetate,JMMWKPVZQRWMSS-UHFFFAOYSA-N,Propan-2-yl acetate,CC(C)OC(C)=O,"InChI=1S/C5H10O2/c1-4(2)7-5(3)6/h4H,1-3H3",C5H10O2,102.0680796
254,4-Pentanolide,108-29-2,DTXSID0047618,7921,4-Pentanolide,GAEKPEKOJKCEMS-UHFFFAOYSA-N,5-Methyloxolan-2-one,CC1CCC(=O)O1,"InChI=1S/C5H8O2/c1-4-2-3-5(6)7-4/h4H,2-3H2,1H3",C5H8O2,100.0524295
255,Succinic anhydride,108-30-5,DTXSID7021287,7922,Succinic anhydride,RINCXYDBBGOEEQ-UHFFFAOYSA-N,"Oxolane-2,5-dione",O=C1CCC(=O)O1,InChI=1S/C4H4O3/c5-3-1-2-4(6)7-3/h1-2H2,C4H4O3,100.016044
256,Propylene carbonate,108-32-7,DTXSID2026789,7924,Propylene carbonate,RUOJZAUFBMNUDX-UHFFFAOYSA-N,"4-Methyl-1,3-dioxolan-2-one",CC1COC(=O)O1,"InChI=1S/C4H6O3/c1-3-2-6-4(5)7-3/h3H,2H2,1H3",C4H6O3,102.0316941
257,m-Xylene,108-38-3,DTXSID6026298,7929,m-Xylene,IVSZLXZYQVIEFR-UHFFFAOYSA-N,"1,3-Xylene",CC1=CC(C)=CC=C1,"InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3",C8H10,106.0782503
258,m-Chlorotoluene,108-41-8,DTXSID4052841,7931,m-Chlorotoluene,OSOUNOBYRMOXQQ-UHFFFAOYSA-N,1-Chloro-3-methylbenzene,CC1=CC(Cl)=CC=C1,"InChI=1S/C7H7Cl/c1-6-3-2-4-7(8)5-6/h2-5H,1H3",C7H7Cl,126.0236279
259,"1,3-Benzenediamine",108-45-2,DTXSID4021137,7935,"1,3-Benzenediamine",WZCQRUWWHSTZEM-UHFFFAOYSA-N,"Benzene-1,3-diamine",NC1=CC(N)=CC=C1,"InChI=1S/C6H8N2/c7-5-2-1-3-6(8)4-5/h1-4H,7-8H2",C6H8N2,108.0687483
260,"2,6-Dimethylpyridine",108-48-5,DTXSID7051557,7937,"2,6-Dimethylpyridine",OISVCGZHLKNMSJ-UHFFFAOYSA-N,"2,6-Dimethylpyridine",CC1=CC=CC(C)=N1,"InChI=1S/C7H9N/c1-6-4-3-5-7(2)8-6/h3-5H,1-2H3",C7H9N,107.0734993
261,"2,2'-Oxybis-1-propanol",108-61-2,DTXSID30274176,92739,"2,2'-Oxybis-1-propanol",VMKMZRBPOSNUMX-UHFFFAOYSA-N,"2,2'-Oxydi(propan-1-ol)",CC(CO)OC(C)CO,"InChI=1S/C6H14O3/c1-5(3-7)9-6(2)4-8/h5-8H,3-4H2,1-2H3",C6H14O3,134.0942943
262,Ethyl isovalerate,108-64-5,DTXSID3047057,7945,Ethyl isovalerate,PPXUHEORWJQRHJ-UHFFFAOYSA-N,Ethyl 3-methylbutanoate,CCOC(=O)CC(C)C,"InChI=1S/C7H14O2/c1-4-9-7(8)5-6(2)3/h6H,4-5H2,1-3H3",C7H14O2,130.0993797
263,1-Methoxy-2-propyl acetate,108-65-6,DTXSID1026796,7946,1-Methoxy-2-propyl acetate,LLHKCFNBLRBOGN-UHFFFAOYSA-N,1-Methoxypropan-2-yl acetate,COCC(C)OC(C)=O,"InChI=1S/C6H12O3/c1-5(4-8-3)9-6(2)7/h5H,4H2,1-3H3",C6H12O3,132.0786442
264,"1,3,5-Trimethylbenzene",108-67-8,DTXSID6026797,7947,"1,3,5-Trimethylbenzene",AUHZEENZYGFFBQ-UHFFFAOYSA-N,"1,3,5-Trimethylbenzene",CC1=CC(C)=CC(C)=C1,"InChI=1S/C9H12/c1-7-4-8(2)6-9(3)5-7/h4-6H,1-3H3",C9H12,120.0939004
265,"2,4,6-Trimethylpyridine",108-75-8,DTXSID1051561,7953,"2,4,6-Trimethylpyridine",BWZVCCNYKMEVEX-UHFFFAOYSA-N,"2,4,6-Trimethylpyridine",CC1=CC(C)=NC(C)=C1,"InChI=1S/C8H11N/c1-6-4-7(2)9-8(3)5-6/h4-5H,1-3H3",C8H11N,121.0891494
266,Bromobenzene,108-86-1,DTXSID5024637,7961,Bromobenzene,QARVLSVVCXYDNA-UHFFFAOYSA-N,Bromobenzene,BrC1=CC=CC=C1,InChI=1S/C6H5Br/c7-6-4-2-1-3-5-6/h1-5H,C6H5Br,155.957463
267,Methylcyclohexane,108-87-2,DTXSID0047749,7962,Methylcyclohexane,UAEPNZWRGJTJPN-UHFFFAOYSA-N,Methylcyclohexane,CC1CCCCC1,"InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3",C7H14,98.10955045
268,1-Methylbenzene,108-88-3,DTXSID7021360,1140,Toluene,YXFVVABEGXRONW-UHFFFAOYSA-N,Toluene,CC1=CC=CC=C1,"InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3",C7H8,92.06260026
269,Chlorobenzene,108-90-7,DTXSID4020298,7964,Chlorobenzene,MVPPADPHJFYWMZ-UHFFFAOYSA-N,Chlorobenzene,ClC1=CC=CC=C1,InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H,C6H5Cl,112.0079779
270,Cyclohexanol,108-93-0,DTXSID4021894,7966,Cyclohexanol,HPXRVTGHNJAIIH-UHFFFAOYSA-N,Cyclohexanol,OC1CCCCC1,"InChI=1S/C6H12O/c7-6-4-2-1-3-5-6/h6-7H,1-5H2",C6H12O,100.088815
271,Cyclohexanone,108-94-1,DTXSID6020359,7967,Cyclohexanone,JHIVVAPYMSGYDF-UHFFFAOYSA-N,Cyclohexanone,O=C1CCCCC1,InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2,C6H10O,98.07316494
272,Phenol,108-95-2,DTXSID5021124,996,Phenol,ISWSIDIOOBJBQZ-UHFFFAOYSA-N,Phenol,OC1=CC=CC=C1,"InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H",C6H6O,94.04186481
273,"1,3-Diphenylpropane",1081-75-0,DTXSID80862527,14125,"1,3-Diphenylpropane",VEAFKIYNHVBNIP-UHFFFAOYSA-N,"1,1'-(Propane-1,3-diyl)dibenzene",C(CC1=CC=CC=C1)CC1=CC=CC=C1,"InChI=1S/C15H16/c1-3-8-14(9-4-1)12-7-13-15-10-5-2-6-11-15/h1-6,8-11H,7,12-13H2",C15H16,196.1252005
274,1-Phenylnonane,1081-77-2,DTXSID7040786,14126,1-Phenylnonane,LIXVMPBOGDCSRM-UHFFFAOYSA-N,Nonylbenzene,CCCCCCCCCC1=CC=CC=C1,"InChI=1S/C15H24/c1-2-3-4-5-6-7-9-12-15-13-10-8-11-14-15/h8,10-11,13-14H,2-7,9,12H2,1H3",C15H24,204.1878008
275,"dibenzo[a,c]cyclooctene, 5,6,7,8-tetrahydro-",1082-12-8,DTXSID30880675,610378,"dibenzo[a,c]cyclooctene, 5,6,7,8-tetrahydro-",CZYWAPBZHJZHJD-UHFFFAOYSA-N,"5,6,7,8-Tetrahydrodibenzo[a,c][8]annulene",C1CCC2=C(C=CC=C2)C2=CC=CC=C2C1,"InChI=1S/C16H16/c1-2-8-14-10-4-6-12-16(14)15-11-5-3-9-13(15)7-1/h3-6,9-12H,1-2,7-8H2",C16H16,208.1252005
276,"rel-3,3a,4,5,6,7,7a-Heptamethyl (3aR,7aR)-1-(4-methylphenyl)-1H-indazole-3,3a,4,5,6,7,7a-heptacarboxylate (ACI)",1082204-99-6,,,"rel-3,3a,4,5,6,7,7a-Heptamethyl (3aR,7aR)-1-(4-methylphenyl)-1H-indazole-3,3a,4,5,6,7,7a-heptacarboxylate (ACI)",RQPXXGQKJGMFJC-YBFHJACQNA-N,,O=C(OC)C1=NN(C2=CC=C(C=C2)C)C3(C(=O)OC)C(C(=O)OC)=C(C(=O)OC)C(C(=O)OC)=C(C(=O)OC)C13C(=O)OC,"InChI=1S/C28H28N2O14/c1-13-9-11-14(12-10-13)30-28(26(37)44-8)18(23(34)41-5)16(21(32)39-3)15(20(31)38-2)17(22(33)40-4)27(28,25(36)43-7)19(29-30)24(35)42-6/h9-12H,1-8H3",,
277,"4,5,6,7-Tetrabromo-1,1,3-trimethyl-3-(2,3,4,5-tetrabromophenyl)-2,3-dihydro-1H-indene",1084889-51-9,DTXSID30858238,71751282,"4,5,6,7-Tetrabromo-1,1,3-trimethyl-3-(2,3,4,5-tetrabromophenyl)-2,3-dihydro-1H-indene",MVUXOUVWNWWKOU-UHFFFAOYSA-N,"4,5,6,7-Tetrabromo-1,1,3-trimethyl-3-(2,3,4,5-tetrabromophenyl)-2,3-dihydro-1H-indene",CC1(C)CC(C)(C2=C1C(Br)=C(Br)C(Br)=C2Br)C1=CC(Br)=C(Br)C(Br)=C1Br,"InChI=1S/C18H12Br8/c1-17(2)5-18(3,6-4-7(19)11(21)14(24)10(6)20)9-8(17)12(22)15(25)16(26)13(9)23/h4H,5H2,1-3H3",C18H12Br8,859.440604
278,"3H-3,8a-Ethano-1,2-benzodioxin-7-ol, hexahydro-4a,8,8-trimethyl-, 7-benzoate (ACI)",108511-83-7,,569871,"3H-3,8a-Ethano-1,2-benzodioxin-7-ol, hexahydro-4a,8,8-trimethyl-, 7-benzoate (ACI)",ZGEZBEGUEKLVRK-UHFFFAOYSA-N,"(2,2,6-trimethyl-9,10-dioxatricyclo[6.2.2.01,6]dodecan-3-yl) benzoate",O=C(OC1CCC2(C)CC3OOC2(CC3)C1(C)C)C=4C=CC=CC4,"InChI=1S/C20H26O4/c1-18(2)16(22-17(21)14-7-5-4-6-8-14)10-11-19(3)13-15-9-12-20(18,19)24-23-15/h4-8,15-16H,9-13H2,1-3H3",C20H26O4,330.183
279,2-Methylpyridine,109-06-8,DTXSID9021899,7975,2-Methylpyridine,BSKHPKMHTQYZBB-UHFFFAOYSA-N,2-Methylpyridine,CC1=NC=CC=C1,"InChI=1S/C6H7N/c1-6-4-2-3-5-7-6/h2-5H,1H3",C6H7N,93.05784923
280,Butyl 3-methylbutanoate,109-19-3,DTXSID9047621,7981,Butyl 3-methylbutanoate,AYWJSCLAAPJZEF-UHFFFAOYSA-N,Butyl 3-methylbutanoate,CCCCOC(=O)CC(C)C,"InChI=1S/C9H18O2/c1-4-5-6-11-9(10)7-8(2)3/h8H,4-7H2,1-3H3",C9H18O2,158.1306798
281,Butyric acid n-butyl ester,109-21-7,DTXSID7041702,7983,Butyric acid n-butyl ester,XUPYJHCZDLZNFP-UHFFFAOYSA-N,Butyl butanoate,CCCCOC(=O)CCC,"InChI=1S/C8H16O2/c1-3-5-7-10-8(9)6-4-2/h3-7H2,1-2H3",C8H16O2,144.1150298
282,"9-Octadecenoic acid (9Z)-, 2-butoxyethyl ester",109-39-7,DTXSID0059370,66959,"9-Octadecenoic acid (9Z)-, 2-butoxyethyl ester",LBUOSVPOVIEPLJ-UHFFFAOYSA-N,2-Butoxyethyl octadec-9-enoate,CCCCCCCCC=CCCCCCCCC(=O)OCCOCCCC,"InChI=1S/C24H46O3/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24(25)27-23-22-26-21-6-4-2/h12-13H,3-11,14-23H2,1-2H3",C24H46O3,382.3446953
283,Dibutyl decanedioate,109-43-3,DTXSID1041847,7986,Dibutyl decanedioate,PYGXAGIECVVIOZ-UHFFFAOYSA-N,Dibutyl decanedioate,CCCCOC(=O)CCCCCCCCC(=O)OCCCC,"InChI=1S/C18H34O4/c1-3-5-15-21-17(19)13-11-9-7-8-10-12-14-18(20)22-16-6-4-2/h3-16H2,1-2H3",C18H34O4,314.2457096
284,Pentanoic acid,109-52-4,DTXSID7021655,7991,Pentanoic acid,NQPDZGIKBAWPEJ-UHFFFAOYSA-N,Pentanoic acid,CCCCC(O)=O,"InChI=1S/C5H10O2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H,6,7)",C5H10O2,102.0680796
285,Propyl acetate,109-60-4,DTXSID6021901,7997,Propyl acetate,YKYONYBAUNKHLG-UHFFFAOYSA-N,Propyl acetate,CCCOC(C)=O,"InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3",C5H10O2,102.0680796
286,1-Chlorobutane,109-69-3,DTXSID8020206,8005,1-Chlorobutane,VFWCMGCRMGJXDK-UHFFFAOYSA-N,1-Chlorobutane,CCCCCl,"InChI=1S/C4H9Cl/c1-2-3-4-5/h2-4H2,1H3",C4H9Cl,92.039278
287,Diethylamine,109-89-7,DTXSID6021909,8021,Diethylamine,HPNMFZURTQLUMO-UHFFFAOYSA-N,N-Ethylethanamine,CCNCC,"InChI=1S/C4H11N/c1-3-5-4-2/h5H,3-4H2,1-2H3",C4H11N,73.08914936
288,Tetrahydrofuran,109-99-9,DTXSID1021328,8028,Tetrahydrofuran,WYURNTSHIVDZCO-UHFFFAOYSA-N,Oxolane,C1CCOC1,InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2,C4H8O,72.05751488
289,"1,1,7-Trimethyl-4-methylidenedecahydro-1H-cyclopropa[e]azulene",109119-91-7,DTXSID40881274,91354,"1,1,7-Trimethyl-4-methylidenedecahydro-1H-cyclopropa[e]azulene",ITYNGVSTWVVPIC-UHFFFAOYSA-N,"1,1,7-Trimethyl-4-methylidenedecahydro-1H-cyclopropa[e]azulene",CC1CCC2C1C1C(CCC2=C)C1(C)C,"InChI=1S/C15H24/c1-9-6-8-12-14(15(12,3)4)13-10(2)5-7-11(9)13/h10-14H,1,5-8H2,2-4H3",C15H24,204.1878008
290,"1,2,3,7,8-Pentabromodibenzo-p-dioxin",109333-34-8,DTXSID6073784,60312,"1,2,3,7,8-Pentabromodibenzo-p-dioxin",ZIFMQFDZODRVTG-UHFFFAOYSA-N,"1,2,3,7,8-Pentabromooxanthrene",BrC1=CC2=C(OC3=CC(Br)=C(Br)C=C3O2)C(Br)=C1Br,InChI=1S/C12H3Br5O2/c13-4-1-7-8(2-5(4)14)19-12-9(18-7)3-6(15)10(16)11(12)17/h1-3H,C12H3Br5O2,573.604994
291,"Methyl 1,2,3,4,4a,9,10,10a-octahydro-7-hydroxy-1,4a-dimethyl-1-phenanthrenecarboxylate (ACI)",109692-71-9,,611698,"Methyl 1,2,3,4,4a,9,10,10a-octahydro-7-hydroxy-1,4a-dimethyl-1-phenanthrenecarboxylate (ACI)",JGSZZGMHEXRYBC-UHFFFAOYSA-N,"methyl 7-hydroxy-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate",O=C(OC)C1(C)CCCC2(C3=CC=C(O)C=C3CCC12)C,"InChI=1S/C18H24O3/c1-17-9-4-10-18(2,16(20)21-3)15(17)8-5-12-11-13(19)6-7-14(12)17/h6-7,11,15,19H,4-5,8-10H2,1-3H3",C18H24O3,288.173
292,Methyl 13-hydroxylinoleate,109837-85-6,,,Methyl 13-hydroxylinoleate,ZVMLLPSSQZSZOA-GDVMHIJENA-N,,O=C(OC)CCCCCCCC=CC=CC(O)CCCCC,"InChI=1S/C19H34O3/c1-3-4-12-15-18(20)16-13-10-8-6-5-7-9-11-14-17-19(21)22-2/h8,10,13,16,18,20H,3-7,9,11-12,14-15,17H2,1-2H3",,
293,Furan,110-00-9,DTXSID6020646,8029,Furan,YLQBMQCUIZJEEH-UHFFFAOYSA-N,Furan,O1C=CC=C1,InChI=1S/C4H4O/c1-2-4-5-3-1/h1-4H,C4H4O,68.02621475
294,5-Methyl-2-hexanone,110-12-3,DTXSID5021914,8034,5-Methyl-2-hexanone,FFWSICBKRCICMR-UHFFFAOYSA-N,5-Methylhexan-2-one,CC(C)CCC(C)=O,"InChI=1S/C7H14O/c1-6(2)4-5-7(3)8/h6H,4-5H2,1-3H3",C7H14O,114.1044651
295,Isobutyl acetate,110-19-0,DTXSID5026837,8038,Isobutyl acetate,GJRQTCIYDGXPES-UHFFFAOYSA-N,2-Methylpropyl acetate,CC(C)COC(C)=O,"InChI=1S/C6H12O2/c1-5(2)4-8-6(3)7/h5H,4H2,1-3H3",C6H12O2,116.0837296
296,Isopropyl tetradecanoate,110-27-0,DTXSID0026838,8042,Isopropyl tetradecanoate,AXISYYRBXTVTFY-UHFFFAOYSA-N,Propan-2-yl tetradecanoate,CCCCCCCCCCCCCC(=O)OC(C)C,"InChI=1S/C17H34O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-17(18)19-16(2)3/h16H,4-15H2,1-3H3",C17H34O2,270.2558803
297,"N,N'-Ethylene distearylamide",110-30-5,DTXSID4026840,8044,"N,N'-Ethylene distearylamide",RKISUIUJZGSLEV-UHFFFAOYSA-N,"N,N'-(Ethane-1,2-diyl)dioctadecanamide",CCCCCCCCCCCCCCCCCC(=O)NCCNC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C38H76N2O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-37(41)39-35-36-40-38(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-36H2,1-2H3,(H,39,41)(H,40,42)",C38H76N2O2,592.5906797
298,Ethyl decanoate,110-38-3,DTXSID0044363,8048,Ethyl decanoate,RGXWDWUGBIJHDO-UHFFFAOYSA-N,Ethyl decanoate,CCCCCCCCCC(=O)OCC,"InChI=1S/C12H24O2/c1-3-5-6-7-8-9-10-11-12(13)14-4-2/h3-11H2,1-2H3",C12H24O2,200.17763
299,Methyl decanoate,110-42-9,DTXSID4026842,8050,Methyl decanoate,YRHYCMZPEVDGFQ-UHFFFAOYSA-N,Methyl decanoate,CCCCCCCCCC(=O)OC,"InChI=1S/C11H22O2/c1-3-4-5-6-7-8-9-10-11(12)13-2/h3-10H2,1-2H3",C11H22O2,186.1619799
300,2-Heptanone,110-43-0,DTXSID5021916,8051,2-Heptanone,CATSNJVOTSVZJV-UHFFFAOYSA-N,Heptan-2-one,CCCCCC(C)=O,"InChI=1S/C7H14O/c1-3-4-5-6-7(2)8/h3-6H2,1-2H3",C7H14O,114.1044651
301,"2E,4E-Hexadienoic acid",110-44-1,DTXSID3021277,643460,"2E,4E-Hexadienoic acid",WSWCOQWTEOXDQX-MQQKCMAXSA-N,"(2E,4E)-Hexa-2,4-dienoic acid",C\C=C\C=C\C(O)=O,"InChI=1S/C6H8O2/c1-2-3-4-5-6(7)8/h2-5H,1H3,(H,7,8)/b3-2+,5-4+",C6H8O2,112.0524295
302,n-Hexane,110-54-3,DTXSID0021917,8058,n-Hexane,VLKZOEOYAKHREP-UHFFFAOYSA-N,Hexane,CCCCCC,"InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3",C6H14,86.10955045
303,Pentanal,110-62-3,DTXSID7021653,8063,Pentanal,HGBOYTHUEUWSSQ-UHFFFAOYSA-N,Pentanal,CCCCC=O,"InChI=1S/C5H10O/c1-2-3-4-5-6/h5H,2-4H2,1H3",C5H10O,86.07316494
304,"1,4-Butanediol",110-63-4,DTXSID2024666,8064,"1,4-Butanediol",WERYXYBDKMZEQL-UHFFFAOYSA-N,"Butane-1,4-diol",OCCCCO,"InChI=1S/C4H10O2/c5-3-1-2-4-6/h5-6H,1-4H2",C4H10O2,90.06807956
305,Cyclohexane,110-82-7,DTXSID4021923,8078,Cyclohexane,XDTMQSROBMDMFD-UHFFFAOYSA-N,Cyclohexane,C1CCCCC1,InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2,C6H12,84.09390039
306,Cyclohexene,110-83-8,DTXSID9038717,8079,Cyclohexene,HGCIXCUEYOPUTN-UHFFFAOYSA-N,Cyclohexene,C1CCC=CC1,"InChI=1S/C6H10/c1-2-4-6-5-3-1/h1-2H,3-6H2",C6H10,82.07825032
307,Pyridine,110-86-1,DTXSID9021924,1049,Pyridine,JUJWROOIHBZHMG-UHFFFAOYSA-N,Pyridine,C1=CC=NC=C1,InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H,C5H5N,79.04219917
308,"1,3,5-Trioxane",110-88-3,DTXSID4021925,8081,"1,3,5-Trioxane",BGJSXRVXTHVRSN-UHFFFAOYSA-N,"1,3,5-Trioxane",C1OCOCO1,InChI=1S/C3H6O3/c1-4-2-6-3-5-1/h1-3H2,C3H6O3,90.03169405
309,6-Methyl-5-hepten-2-one,110-93-0,DTXSID5021629,9862,6-Methyl-5-hepten-2-one,UHEPJGULSIKKTP-UHFFFAOYSA-N,6-Methylhept-5-en-2-one,CC(C)=CCCC(C)=O,"InChI=1S/C8H14O/c1-7(2)5-4-6-8(3)9/h5H,4,6H2,1-3H3",C8H14O,126.1044651
310,2-Methyl-N-(2-methylpropyl)-1-propanamine,110-96-3,DTXSID5025079,8085,2-Methyl-N-(2-methylpropyl)-1-propanamine,NJBCRXCAPCODGX-UHFFFAOYSA-N,2-Methyl-N-(2-methylpropyl)propan-1-amine,CC(C)CNCC(C)C,"InChI=1S/C8H19N/c1-7(2)5-9-6-8(3)4/h7-9H,5-6H2,1-4H3",C8H19N,129.1517496
311,"1,1'-Oxybis-2-propanol",110-98-5,DTXSID7026863,8087,"1,1'-Oxybis-2-propanol",AZUXKVXMJOIAOF-UHFFFAOYSA-N,"1,1'-Oxydi(propan-2-ol)",CC(O)COCC(C)O,"InChI=1S/C6H14O3/c1-5(7)3-9-4-6(2)8/h5-8H,3-4H2,1-2H3",C6H14O3,134.0942943
312,Cedrene,11028-42-5,DTXSID00881230,,Cedrene,,,,,,
313,"1,1?-(1,2-Dicyclopropyl-1,2-ethanediyl)benzene (ACI)",110330-90-0,,582932,"1,1?-(1,2-Dicyclopropyl-1,2-ethanediyl)benzene (ACI)",FTYUBHCAQQJMAR-UHFFFAOYSA-N,"(1,2-dicyclopropyl-2-phenylethyl)benzene",C=1C=CC(=CC1)C(C2CC2)C(C=3C=CC=CC3)C4CC4,"InChI=1S/C20H22/c1-3-7-15(8-4-1)19(17-11-12-17)20(18-13-14-18)16-9-5-2-6-10-16/h1-10,17-20H,11-14H2",C20H22,262.172
314,"1,2,3,4,7,8-Hexabromodibenzo-p-dioxin",110999-44-5,DTXSID5073793,86300,"1,2,3,4,7,8-Hexabromodibenzo-p-dioxin",JGZILVYVJLWSIH-UHFFFAOYSA-N,"1,2,3,4,7,8-Hexabromooxanthrene",BrC1=CC2=C(OC3=C(O2)C(Br)=C(Br)C(Br)=C3Br)C=C1Br,InChI=1S/C12H2Br6O2/c13-3-1-5-6(2-4(3)14)20-12-10(18)8(16)7(15)9(17)11(12)19-5/h1-2H,C12H2Br6O2,651.515507
315,"1,2,3,6,7,8-Hexabromodibenzo-p-dioxin",110999-45-6,DTXSID0073794,86301,"1,2,3,6,7,8-Hexabromodibenzo-p-dioxin",QHJJFBHAYBGEDA-UHFFFAOYSA-N,"1,2,3,6,7,8-Hexabromooxanthrene",BrC1=CC2=C(OC3=CC(Br)=C(Br)C(Br)=C3O2)C(Br)=C1Br,InChI=1S/C12H2Br6O2/c13-3-1-5-11(9(17)7(3)15)20-6-2-4(14)8(16)10(18)12(6)19-5/h1-2H,C12H2Br6O2,651.515507
316,"1,2,3,7,8,9-Hexabromodibenzo-p-dioxin",110999-46-7,DTXSID5073795,119576,"1,2,3,7,8,9-Hexabromodibenzo-p-dioxin",BQLIEPWVZAEMQP-UHFFFAOYSA-N,"1,2,3,7,8,9-Hexabromooxanthrene",BrC1=CC2=C(OC3=C(O2)C=C(Br)C(Br)=C3Br)C(Br)=C1Br,InChI=1S/C12H2Br6O2/c13-3-1-5-11(9(17)7(3)15)20-12-6(19-5)2-4(14)8(16)10(12)18/h1-2H,C12H2Br6O2,651.515507
317,"1,2,3,4,6,7,8-Heptabromodibenzo-p-dioxin",110999-47-8,DTXSID2074245,183151,"1,2,3,4,6,7,8-Heptabromodibenzo-p-dioxin",FPCROEVBHPWKPI-UHFFFAOYSA-N,"1,2,3,4,6,7,8-Heptabromooxanthrene",BrC1=CC2=C(OC3=C(O2)C(Br)=C(Br)C(Br)=C3Br)C(Br)=C1Br,InChI=1S/C12HBr7O2/c13-2-1-3-10(7(17)4(2)14)21-12-9(19)6(16)5(15)8(18)11(12)20-3/h1H,C12HBr7O2,729.42602
318,(E)-Squalene,111-02-4,DTXSID0026044,638072,(E)-Squalene,YYGNTYWPHWGJRM-AAJYLUCBSA-N,"(6E,10E,14E,18E)-2,6,10,15,19,23-Hexamethyltetracosa-2,6,10,14,18,22-hexaene",CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C=C(/C)CC\C=C(/C)CCC=C(C)C,"InChI=1S/C30H50/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h15-18,23-24H,9-14,19-22H2,1-8H3/b27-17+,28-18+,29-23+,30-24+",C30H50,410.3912516
319,Glycerol 1-monooleate,111-03-5,DTXSID3042003,5283468,Glycerol 1-monooleate,RZRNAYUHWVFMIP-KTKRTIGZSA-N,"2,3-Dihydroxypropyl (9Z)-octadec-9-enoate",CCCCCCCC\C=C/CCCCCCCC(=O)OCC(O)CO,"InChI=1S/C21H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h9-10,20,22-23H,2-8,11-19H2,1H3/b10-9-",C21H40O4,356.2926598
320,"Hexadecanoic acid, butyl ester",111-06-8,DTXSID3059395,8090,"Hexadecanoic acid, butyl ester",GLYJVQDYLFAUFC-UHFFFAOYSA-N,Butyl hexadecanoate,CCCCCCCCCCCCCCCC(=O)OCCCC,"InChI=1S/C20H40O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-20(21)22-19-6-4-2/h3-19H2,1-2H3",C20H40O2,312.3028305
321,Methyl octanoate,111-11-5,DTXSID2026864,8091,Methyl octanoate,JGHZJRVDZXSNKQ-UHFFFAOYSA-N,Methyl octanoate,CCCCCCCC(=O)OC,"InChI=1S/C9H18O2/c1-3-4-5-6-7-8-9(10)11-2/h3-8H2,1-2H3",C9H18O2,158.1306798
322,Methyl 2-octynoate,111-12-6,DTXSID9047093,8092,Methyl 2-octynoate,FRLZQXRXIKQFNS-UHFFFAOYSA-N,Methyl oct-2-ynoate,CCCCCC#CC(=O)OC,"InChI=1S/C9H14O2/c1-3-4-5-6-7-8-9(10)11-2/h3-6H2,1-2H3",C9H14O2,154.0993797
323,2-Octanone,111-13-7,DTXSID4021927,8093,2-Octanone,ZPVFWPFBNIEHGJ-UHFFFAOYSA-N,Octan-2-one,CCCCCCC(C)=O,"InChI=1S/C8H16O/c1-3-4-5-6-7-8(2)9/h3-7H2,1-2H3",C8H16O,128.1201151
324,Heptanoic acid,111-14-8,DTXSID2021600,8094,Heptanoic acid,MNWFXJYAOYHMED-UHFFFAOYSA-N,Heptanoic acid,CCCCCCC(O)=O,"InChI=1S/C7H14O2/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3,(H,8,9)",C7H14O2,130.0993797
325,Decanedioic acid,111-20-6,DTXSID7026867,5192,Decanedioic acid,CXMXRPHRNRROMY-UHFFFAOYSA-N,Decanedioic acid,OC(=O)CCCCCCCCC(O)=O,"InChI=1S/C10H18O4/c11-9(12)7-5-3-1-2-4-6-8-10(13)14/h1-8H2,(H,11,12)(H,13,14)",C10H18O4,202.1205091
326,1-Hexanol,111-27-3,DTXSID8021931,8103,1-Hexanol,ZSIAUFGUXNUGDI-UHFFFAOYSA-N,Hexan-1-ol,CCCCCCO,"InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3",C6H14O,102.1044651
327,Diethanolamine,111-42-2,DTXSID3021932,8113,Diethanolamine,ZBCBWPMODOFKDW-UHFFFAOYSA-N,"2,2'-Azanediyldi(ethan-1-ol)",OCCNCCO,"InChI=1S/C4H11NO2/c6-3-1-5-2-4-7/h5-7H,1-4H2",C4H11NO2,105.0789786
328,Diethylene glycol,111-46-6,DTXSID8020462,8117,Diethylene glycol,MTHSVFCYNBDYFN-UHFFFAOYSA-N,"2,2'-Oxydi(ethan-1-ol)",OCCOCCO,"InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2",C4H10O3,106.0629942
329,"1,2-Ethanediol diacetate",111-55-7,DTXSID0026880,8121,"1,2-Ethanediol diacetate",JTXMVXSTHSMVQF-UHFFFAOYSA-N,"Ethane-1,2-diyl diacetate",CC(=O)OCCOC(C)=O,"InChI=1S/C6H10O4/c1-5(7)9-3-4-10-6(2)8/h3-4H2,1-2H3",C6H10O4,146.0579088
330,Ethyl stearate,111-61-5,DTXSID5059406,8122,Ethyl stearate,MVLVMROFTAUDAG-UHFFFAOYSA-N,Ethyl octadecanoate,CCCCCCCCCCCCCCCCCC(=O)OCC,"InChI=1S/C20H40O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2/h3-19H2,1-2H3",C20H40O2,312.3028305
331,"Octadecanoic acid, ethenyl ester",111-63-7,DTXSID20861736,66077,"Octadecanoic acid, ethenyl ester",AFSIMBWBBOJPJG-UHFFFAOYSA-N,Ethenyl octadecanoate,CCCCCCCCCCCCCCCCCC(=O)OC=C,"InChI=1S/C20H38O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2/h4H,2-3,5-19H2,1H3",C20H38O2,310.2871805
332,Octane,111-65-9,DTXSID0026882,356,Octane,TVMXDCGIABBOFY-UHFFFAOYSA-N,Octane,CCCCCCCC,"InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3",C8H18,114.1408506
333,1-Octene,111-66-0,DTXSID6025804,8125,1-Octene,KWKAKUADMBZCLK-UHFFFAOYSA-N,Oct-1-ene,CCCCCCC=C,"InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3H,1,4-8H2,2H3",C8H16,112.1252005
334,1-Heptanol,111-70-6,DTXSID8021937,8129,1-Heptanol,BBMCTIGTTCKYKF-UHFFFAOYSA-N,Heptan-1-ol,CCCCCCCO,"InChI=1S/C7H16O/c1-2-3-4-5-6-7-8/h8H,2-7H2,1H3",C7H16O,116.1201151
335,Heptanal,111-71-7,DTXSID0021597,8130,Heptanal,FXHGMKSSBGDXIY-UHFFFAOYSA-N,Heptanal,CCCCCCC=O,"InChI=1S/C7H14O/c1-2-3-4-5-6-7-8/h7H,2-6H2,1H3",C7H14O,114.1044651
336,2-Butoxyethanol,111-76-2,DTXSID1024097,8133,2-Butoxyethanol,POAOYUHQDCAZBD-UHFFFAOYSA-N,2-Butoxyethan-1-ol,CCCCOCCO,"InChI=1S/C6H14O2/c1-2-3-5-8-6-4-7/h7H,2-6H2,1H3",C6H14O2,118.0993797
337,"1,5-Cyclooctadiene",111-78-4,DTXSID0026888,8135,"1,5-Cyclooctadiene",VYXHVRARDIDEHS-UHFFFAOYSA-N,"Cycloocta-1,5-diene",C1CC=CCCC=C1,"InChI=1S/C8H12/c1-2-4-6-8-7-5-3-1/h1-2,7-8H,3-6H2",C8H12,108.0939004
338,Methyl dodecanoate,111-82-0,DTXSID5026889,8139,Methyl dodecanoate,UQDUPQYQJKYHQI-UHFFFAOYSA-N,Methyl dodecanoate,CCCCCCCCCCCC(=O)OC,"InChI=1S/C13H26O2/c1-3-4-5-6-7-8-9-10-11-12-13(14)15-2/h3-12H2,1-2H3",C13H26O2,214.1932801
339,Nonane,111-84-2,DTXSID9025796,8141,Nonane,BKIMMITUMNQMOS-UHFFFAOYSA-N,Nonane,CCCCCCCCC,"InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3",C9H20,128.1565006
340,1-Chlorooctane,111-85-3,DTXSID0021543,8142,1-Chlorooctane,CNDHHGUSRIZDSL-UHFFFAOYSA-N,1-Chlorooctane,CCCCCCCCCl,"InChI=1S/C8H17Cl/c1-2-3-4-5-6-7-8-9/h2-8H2,1H3",C8H17Cl,148.1018782
341,1-Octanol,111-87-5,DTXSID7021940,957,1-Octanol,KBPLFHHGFOOTCA-UHFFFAOYSA-N,Octan-1-ol,CCCCCCCCO,"InChI=1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3",C8H18O,130.1357652
342,2-(2-Ethoxyethoxy)ethanol,111-90-0,DTXSID2021941,8146,2-(2-Ethoxyethoxy)ethanol,XXJWXESWEXIICW-UHFFFAOYSA-N,2-(2-Ethoxyethoxy)ethan-1-ol,CCOCCOCCO,"InChI=1S/C6H14O3/c1-2-8-5-6-9-4-3-7/h7H,2-6H2,1H3",C6H14O3,134.0942943
343,"octadecanoic acid, 9,10-dihydroxy-, methyl ester",1115-01-1,DTXSID10880895,66194,"octadecanoic acid, 9,10-dihydroxy-, methyl ester",RITHLQKJQSKUAO-UHFFFAOYSA-N,"Methyl 9,10-dihydroxyoctadecanoate",CCCCCCCCC(O)C(O)CCCCCCCC(=O)OC,"InChI=1S/C19H38O4/c1-3-4-5-6-8-11-14-17(20)18(21)15-12-9-7-10-13-16-19(22)23-2/h17-18,20-21H,3-16H2,1-2H3",C19H38O4,330.2770097
344,Hexyl octanoate,1117-55-1,DTXSID8047636,14228,Hexyl octanoate,PBGWNXWNCSSXCO-UHFFFAOYSA-N,Hexyl octanoate,CCCCCCCC(=O)OCCCCCC,"InChI=1S/C14H28O2/c1-3-5-7-9-10-12-14(15)16-13-11-8-6-4-2/h3-13H2,1-2H3",C14H28O2,228.2089301
345,"(1,1-Dimethylethyl)urea",1118-12-3,DTXSID0044365,14233,"(1,1-Dimethylethyl)urea",JLEHSYHLHLHPAL-UHFFFAOYSA-N,N-tert-Butylurea,CC(C)(C)NC(N)=O,"InChI=1S/C5H12N2O/c1-5(2,3)7-4(6)8/h1-3H3,(H3,6,7,8)",C5H12N2O,116.094963
346,Dipivaloylmethane,1118-71-4,DTXSID7049396,70700,Dipivaloylmethane,YRAJNWYBUCUFBD-UHFFFAOYSA-N,"2,2,6,6-Tetramethylheptane-3,5-dione",CC(C)(C)C(=O)CC(=O)C(C)(C)C,"InChI=1S/C11H20O2/c1-10(2,3)8(12)7-9(13)11(4,5)6/h7H2,1-6H3",C11H20O2,184.1463299
347,"N,N-Dimethyloctanamide",1118-92-9,DTXSID9027364,14240,"N,N-Dimethyloctanamide",VHRUBWHAOUIMDW-UHFFFAOYSA-N,"N,N-Dimethyloctanamide",CCCCCCCC(=O)N(C)C,"InChI=1S/C10H21NO/c1-4-5-6-7-8-9-10(12)11(2)3/h4-9H2,1-3H3",C10H21NO,171.1623143
348,Dimethyl glutarate,1119-40-0,DTXSID3025122,14242,Dimethyl glutarate,XTDYIOOONNVFMA-UHFFFAOYSA-N,Dimethyl pentanedioate,COC(=O)CCCC(=O)OC,"InChI=1S/C7H12O4/c1-10-6(8)4-3-5-7(9)11-2/h3-5H2,1-2H3",C7H12O4,160.0735589
349,Nonanoic acid,112-05-0,DTXSID3021641,8158,Nonanoic acid,FBUKVWPVBMHYJY-UHFFFAOYSA-N,Nonanoic acid,CCCCCCCCC(O)=O,"InChI=1S/C9H18O2/c1-2-3-4-5-6-7-8-9(10)11/h2-8H2,1H3,(H,10,11)",C9H18O2,158.1306798
350,2-Butoxyethyl acetate,112-07-2,DTXSID1026904,8160,2-Butoxyethyl acetate,NQBXSWAWVZHKBZ-UHFFFAOYSA-N,2-Butoxyethyl acetate,CCCCOCCOC(C)=O,"InChI=1S/C8H16O3/c1-3-4-5-10-6-7-11-8(2)9/h3-7H2,1-2H3",C8H16O3,160.1099444
351,Isopropyl octadecanoate,112-10-7,DTXSID5051579,8162,Isopropyl octadecanoate,ZPWFUIUNWDIYCJ-UHFFFAOYSA-N,Propan-2-yl octadecanoate,CCCCCCCCCCCCCCCCCC(=O)OC(C)C,"InChI=1S/C21H42O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(22)23-20(2)3/h20H,4-19H2,1-3H3",C21H42O2,326.3184806
352,2-Undecanone,112-12-9,DTXSID2021943,8163,2-Undecanone,KYWIYKKSMDLRDC-UHFFFAOYSA-N,Undecan-2-one,CCCCCCCCCC(C)=O,"InChI=1S/C11H22O/c1-3-4-5-6-7-8-9-10-11(2)12/h3-10H2,1-2H3",C11H22O,170.1670653
353,Octyl acetate,112-14-1,DTXSID8044202,8164,Octyl acetate,YLYBTZIQSIBWLI-UHFFFAOYSA-N,Octyl acetate,CCCCCCCCOC(C)=O,"InChI=1S/C10H20O2/c1-3-4-5-6-7-8-9-12-10(2)11/h3-9H2,1-2H3",C10H20O2,172.1463299
354,2-(2-Ethoxyethoxy)ethyl acetate,112-15-2,DTXSID6026905,8165,2-(2-Ethoxyethoxy)ethyl acetate,FPZWZCWUIYYYBU-UHFFFAOYSA-N,2-(2-Ethoxyethoxy)ethyl acetate,CCOCCOCCOC(C)=O,"InChI=1S/C8H16O4/c1-3-10-4-5-11-6-7-12-8(2)9/h3-7H2,1-2H3",C8H16O4,176.104859
355,"N,N-Dimethyldodecan-1-amine",112-18-5,DTXSID1026906,8168,"N,N-Dimethyldodecan-1-amine",YWFWDNVOPHGWMX-UHFFFAOYSA-N,"N,N-Dimethyldodecan-1-amine",CCCCCCCCCCCCN(C)C,"InChI=1S/C14H31N/c1-4-5-6-7-8-9-10-11-12-13-14-15(2)3/h4-14H2,1-3H3",C14H31N,213.24565
356,"Formic acid, heptyl ester",112-23-2,DTXSID9059416,8169,"Formic acid, heptyl ester",XEAMDSXSXYAICO-UHFFFAOYSA-N,Heptyl formate,CCCCCCCOC=O,"InChI=1S/C8H16O2/c1-2-3-4-5-6-7-10-8-9/h8H,2-7H2,1H3",C8H16O2,144.1150298
357,2-Hexyloxyethanol,112-25-4,DTXSID1026908,8170,2-Hexyloxyethanol,UPGSWASWQBLSKZ-UHFFFAOYSA-N,2-(Hexyloxy)ethan-1-ol,CCCCCCOCCO,"InChI=1S/C8H18O2/c1-2-3-4-5-7-10-8-6-9/h9H,2-8H2,1H3",C8H18O2,146.1306798
358,1-Bromodecane,112-29-8,DTXSID9051581,8173,1-Bromodecane,MYMSJFSOOQERIO-UHFFFAOYSA-N,1-Bromodecane,CCCCCCCCCCBr,"InChI=1S/C10H21Br/c1-2-3-4-5-6-7-8-9-10-11/h2-10H2,1H3",C10H21Br,220.082664
359,1-Decanol,112-30-1,DTXSID7021946,8174,1-Decanol,MWKFXSUHUHTGQN-UHFFFAOYSA-N,Decan-1-ol,CCCCCCCCCCO,"InChI=1S/C10H22O/c1-2-3-4-5-6-7-8-9-10-11/h11H,2-10H2,1H3",C10H22O,158.1670653
360,Decanal,112-31-2,DTXSID4021553,8175,Decanal,KSMVZQYAVGTKIV-UHFFFAOYSA-N,Decanal,CCCCCCCCCC=O,"InChI=1S/C10H20O/c1-2-3-4-5-6-7-8-9-10-11/h10H,2-9H2,1H3",C10H20O,156.1514153
361,"Formic acid, octyl ester",112-32-3,DTXSID4059417,8176,"Formic acid, octyl ester",AVBRYQRTMPHARE-UHFFFAOYSA-N,Octyl formate,CCCCCCCCOC=O,"InChI=1S/C9H18O2/c1-2-3-4-5-6-7-8-11-9-10/h9H,2-8H2,1H3",C9H18O2,158.1306798
362,2-(2-Butoxyethoxy)ethanol,112-34-5,DTXSID8021519,8177,2-(2-Butoxyethoxy)ethanol,OAYXUHPQHDHDDZ-UHFFFAOYSA-N,2-(2-Butoxyethoxy)ethan-1-ol,CCCCOCCOCCO,"InChI=1S/C8H18O3/c1-2-3-5-10-7-8-11-6-4-9/h9H,2-8H2,1H3",C8H18O3,162.1255944
363,Undecanoic acid,112-37-8,DTXSID8021690,8180,Undecanoic acid,ZDPHROOEEOARMN-UHFFFAOYSA-N,Undecanoic acid,CCCCCCCCCCC(O)=O,"InChI=1S/C11H22O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2-10H2,1H3,(H,12,13)",C11H22O2,186.1619799
364,Methyl hexadecanoate,112-39-0,DTXSID4029149,8181,Methyl hexadecanoate,FLIACVVOZYBSBS-UHFFFAOYSA-N,Methyl hexadecanoate,CCCCCCCCCCCCCCCC(=O)OC,"InChI=1S/C17H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19-2/h3-16H2,1-2H3",C17H34O2,270.2558803
365,Dodecane,112-40-3,DTXSID0026913,8182,Dodecane,SNRUBQQJIBEYMU-UHFFFAOYSA-N,Dodecane,CCCCCCCCCCCC,"InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3",C12H26,170.2034508
366,1-Dodecene,112-41-4,DTXSID5026914,8183,1-Dodecene,CRSBERNSMYQZNG-UHFFFAOYSA-N,Dodec-1-ene,CCCCCCCCCCC=C,"InChI=1S/C12H24/c1-3-5-7-9-11-12-10-8-6-4-2/h3H,1,4-12H2,2H3",C12H24,168.1878008
367,1-Undecanol,112-42-5,DTXSID0026915,8184,1-Undecanol,KJIOQYGWTQBHNH-UHFFFAOYSA-N,Undecan-1-ol,CCCCCCCCCCCO,"InChI=1S/C11H24O/c1-2-3-4-5-6-7-8-9-10-11-12/h12H,2-11H2,1H3",C11H24O,172.1827154
368,Undecanal,112-44-7,DTXSID4021688,8186,Undecanal,KMPQYAYAQWNLME-UHFFFAOYSA-N,Undecanal,CCCCCCCCCCC=O,"InChI=1S/C11H22O/c1-2-3-4-5-6-7-8-9-10-11-12/h11H,2-10H2,1H3",C11H22O,170.1670653
369,1-Chlorododecane,112-52-7,DTXSID0025492,8192,1-Chlorododecane,YAYNEUUHHLGGAH-UHFFFAOYSA-N,1-Chlorododecane,CCCCCCCCCCCCCl,"InChI=1S/C12H25Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-12H2,1H3",C12H25Cl,204.1644785
370,1-Dodecanol,112-53-8,DTXSID5026918,8193,1-Dodecanol,LQZZUXJYWNFBMV-UHFFFAOYSA-N,Dodecan-1-ol,CCCCCCCCCCCCO,"InChI=1S/C12H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h13H,2-12H2,1H3",C12H26O,186.1983655
371,Dodecanal,112-54-9,DTXSID6021589,8194,Dodecanal,HFJRKMMYBMWEAD-UHFFFAOYSA-N,Dodecanal,CCCCCCCCCCCC=O,"InChI=1S/C12H24O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h12H,2-11H2,1H3",C12H24O,184.1827154
372,1-Dodecanethiol,112-55-0,DTXSID6025220,8195,1-Dodecanethiol,WNAHIZMDSQCWRP-UHFFFAOYSA-N,Dodecane-1-thiol,CCCCCCCCCCCCS,"InChI=1S/C12H26S/c1-2-3-4-5-6-7-8-9-10-11-12-13/h13H,2-12H2,1H3",C12H26S,202.175522
373,Tetraethylene glycol,112-60-7,DTXSID9026922,8200,Tetraethylene glycol,UWHCKJMYHZGTIT-UHFFFAOYSA-N,"2,2'-{Oxybis[(ethane-2,1-diyl)oxy]}di(ethan-1-ol)",OCCOCCOCCOCCO,"InChI=1S/C8H18O5/c9-1-3-11-5-7-13-8-6-12-4-2-10/h9-10H,1-8H2",C8H18O5,194.1154237
374,Methyl stearate,112-61-8,DTXSID2047640,8201,Methyl stearate,HPEUJPJOZXNMSJ-UHFFFAOYSA-N,Methyl octadecanoate,CCCCCCCCCCCCCCCCCC(=O)OC,"InChI=1S/C19H38O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h3-18H2,1-2H3",C19H38O2,298.2871805
375,Methyl (9Z)-octadec-9-enoate,112-62-9,DTXSID5025811,5364509,Methyl (9E)-octadec-9-enoate,QYDYPVFESGNLHU-KHPPLWFESA-N,Methyl (9Z)-octadec-9-enoate,CCCCCCCC\C=C/CCCCCCCC(=O)OC,"InChI=1S/C19H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h10-11H,3-9,12-18H2,1-2H3/b11-10-",C19H36O2,296.2715304
376,Methyl linoleate,112-63-0,DTXSID7020843,5284421,Methyl linoleate,WTTJVINHCBCLGX-NQLNTKRDSA-N,"Methyl (9Z,12Z)-octadeca-9,12-dienoate",CCCCC\C=C/C\C=C/CCCCCCCC(=O)OC,"InChI=1S/C19H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h7-8,10-11H,3-6,9,12-18H2,1-2H3/b8-7-,11-10-",C19H34O2,294.2558803
377,Hexadecanoyl chloride,112-67-4,DTXSID4051582,8206,Hexadecanoyl chloride,ARBOVOVUTSQWSS-UHFFFAOYSA-N,Hexadecanoyl chloride,CCCCCCCCCCCCCCCC(Cl)=O,"InChI=1S/C16H31ClO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3",C16H31ClO,274.2063433
378,1-Tridecanol,112-70-9,DTXSID2021947,8207,1-Tridecanol,XFRVVPUIAFSTFO-UHFFFAOYSA-N,Tridecan-1-ol,CCCCCCCCCCCCCO,"InChI=1S/C13H28O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h14H,2-13H2,1H3",C13H28O,200.2140155
379,1-Tetradecanol,112-72-1,DTXSID9026926,8209,1-Tetradecanol,HLZKNKRTKFSKGZ-UHFFFAOYSA-N,Tetradecan-1-ol,CCCCCCCCCCCCCCO,"InChI=1S/C14H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h15H,2-14H2,1H3",C14H30O,214.2296656
380,Dimethyl(tetradecyl)amine,112-75-4,DTXSID4026927,8211,Dimethyl(tetradecyl)amine,SFBHPFQSSDCYSL-UHFFFAOYSA-N,"N,N-Dimethyltetradecan-1-amine",CCCCCCCCCCCCCCN(C)C,"InChI=1S/C16H35N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17(2)3/h4-16H2,1-3H3",C16H35N,241.2769501
381,(E)-9-Octadecenoic acid,112-79-8,DTXSID8058619,637517,(E)-9-Octadecenoic acid,ZQPPMHVWECSIRJ-MDZDMXLPSA-N,(9E)-Octadec-9-enoic acid,CCCCCCCC\C=C\CCCCCCCC(O)=O,"InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9+",C18H34O2,282.2558803
382,Oleic acid,112-80-1,DTXSID1025809,445639,Oleic acid,ZQPPMHVWECSIRJ-KTKRTIGZSA-N,(9Z)-Octadec-9-enoic acid,CCCCCCCC\C=C/CCCCCCCC(O)=O,"InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9-",C18H34O2,282.2558803
383,Erucamide,112-84-5,DTXSID4026929,5365371,Erucamide,UAUDZVJPLUQNMU-KTKRTIGZSA-N,(13Z)-Docos-13-enamide,CCCCCCCC\C=C/CCCCCCCCCCCC(N)=O,"InChI=1S/C22H43NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h9-10H,2-8,11-21H2,1H3,(H2,23,24)/b10-9-",C22H43NO,337.334465
384,Docosanoic acid,112-85-6,DTXSID3026930,8215,Docosanoic acid,UKMSUNONTOPOIO-UHFFFAOYSA-N,Docosanoic acid,CCCCCCCCCCCCCCCCCCCCCC(O)=O,"InChI=1S/C22H44O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h2-21H2,1H3,(H,23,24)",C22H44O2,340.3341307
385,Erucic acid,112-86-7,DTXSID8026931,5281116,Erucic acid,DPUOLQHDNGRHBS-KTKRTIGZSA-N,(13Z)-Docos-13-enoic acid,CCCCCCCC\C=C/CCCCCCCCCCCC(O)=O,"InChI=1S/C22H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h9-10H,2-8,11-21H2,1H3,(H,23,24)/b10-9-",C22H42O2,338.3184806
386,1-Octadecene,112-88-9,DTXSID3026932,8217,1-Octadecene,CCCMONHAUSKTEQ-UHFFFAOYSA-N,Octadec-1-ene,CCCCCCCCCCCCCCCCC=C,"InChI=1S/C18H36/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h3H,1,4-18H2,2H3",C18H36,252.2817012
387,(Z)-9-Octadecenenitrile,112-91-4,DTXSID3026934,6420241,(Z)-9-Octadecenenitrile,UIAMCVSNZQYIQS-KTKRTIGZSA-N,(9Z)-Octadec-9-enenitrile,CCCCCCCC\C=C/CCCCCCCC#N,"InChI=1S/C18H33N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h9-10H,2-8,11-17H2,1H3/b10-9-",C18H33N,263.2613001
388,1-Octadecanol,112-92-5,DTXSID8026935,8221,1-Octadecanol,GLDOVTGHNKAZLK-UHFFFAOYSA-N,Octadecan-1-ol,CCCCCCCCCCCCCCCCCCO,"InChI=1S/C18H38O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h19H,2-18H2,1H3",C18H38O,270.2922658
389,Eicosane,112-95-8,DTXSID1025227,8222,Eicosane,CBFCDTFDPHXCNY-UHFFFAOYSA-N,Icosane,CCCCCCCCCCCCCCCCCCCC,"InChI=1S/C20H42/c1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2/h3-20H2,1-2H3",C20H42,282.3286514
390,"1-Octadecanamine, N-octadecyl-",112-99-2,DTXSID8059425,66989,"1-Octadecanamine, N-octadecyl-",HKUFIYBZNQSHQS-UHFFFAOYSA-N,N-Octadecyloctadecan-1-amine,CCCCCCCCCCCCCCCCCCNCCCCCCCCCCCCCCCCCC,"InChI=1S/C36H75N/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37H,3-36H2,1-2H3",C36H75N,521.5899514
391,Nonanamide,1120-07-6,DTXSID60149803,70709,Nonanamide,GHLZUHZBBNDWHW-UHFFFAOYSA-N,Nonanamide,CCCCCCCCC(N)=O,"InChI=1S/C9H19NO/c1-2-3-4-5-6-7-8-9(10)11/h2-8H2,1H3,(H2,10,11)",C9H19NO,157.1466642
392,Dodecanamide,1120-16-7,DTXSID5022146,14256,Dodecanamide,ILRSCQWREDREME-UHFFFAOYSA-N,Dodecanamide,CCCCCCCCCCCC(N)=O,"InChI=1S/C12H25NO/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H2,13,14)",C12H25NO,199.1936144
393,Undecane,1120-21-4,DTXSID9021689,14257,Undecane,RSJKGSCJYJTIGS-UHFFFAOYSA-N,Undecane,CCCCCCCCCCC,"InChI=1S/C11H24/c1-3-5-7-9-11-10-8-6-4-2/h3-11H2,1-2H3",C11H24,156.1878008
394,Methyl palmitoleate,1120-25-8,DTXSID00897351,643801,Methyl palmitoleate,IZFGRAGOVZCUFB-HJWRWDBZSA-N,Methyl (9Z)-hexadec-9-enoate,CCCCCC\C=C/CCCCCCCC(=O)OC,"InChI=1S/C17H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19-2/h8-9H,3-7,10-16H2,1-2H3/b9-8-",C17H32O2,268.2402303
395,1-Tetradecene,1120-36-1,DTXSID4027367,14260,1-Tetradecene,HFDVRLIODXPAHB-UHFFFAOYSA-N,Tetradec-1-ene,CCCCCCCCCCCCC=C,"InChI=1S/C14H28/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h3H,1,4-14H2,2H3",C14H28,196.2191009
396,"Cyclopentanone, 2-methyl-",1120-72-5,DTXSID50862554,14265,2-Methylcyclopentanone,ZIXLDMFVRPABBX-UHFFFAOYSA-N,2-Methylcyclopentan-1-one,CC1CCCC1=O,"InChI=1S/C6H10O/c1-5-3-2-4-6(5)7/h5H,2-4H2,1H3",C6H10O,98.07316494
397,3-Vinylpyridine,1121-55-7,DTXSID90149912,14272,3-Vinylpyridine,DPZYLEIWHTWHCU-UHFFFAOYSA-N,3-Ethenylpyridine,C=CC1=CN=CC=C1,"InChI=1S/C7H7N/c1-2-7-4-3-5-8-6-7/h2-6H,1H2",C7H7N,105.0578492
398,Glutarimide,1121-89-7,DTXSID7074452,70726,Glutarimide,KNCYXPMJDCCGSJ-UHFFFAOYSA-N,"Piperidine-2,6-dione",O=C1CCCC(=O)N1,"InChI=1S/C5H7NO2/c7-4-2-1-3-5(8)6-4/h1-3H2,(H,6,7,8)",C5H7NO2,113.0476785
399,1-(2-Pyridyl)-1-ethanone,1122-62-9,DTXSID7024409,14286,1-(2-Pyridyl)-1-ethanone,AJKVQEKCUACUMD-UHFFFAOYSA-N,1-(Pyridin-2-yl)ethan-1-one,CC(=O)C1=CC=CC=N1,"InChI=1S/C7H7NO/c1-6(9)7-4-2-3-5-8-7/h2-5H,1H3",C7H7NO,121.0527638
400,Isothiocyanocyclohexane,1122-82-3,DTXSID5061532,14289,Isothiocyanocyclohexane,MZSJGCPBOVTKHR-UHFFFAOYSA-N,Isothiocyanatocyclohexane,S=C=NC1CCCCC1,"InChI=1S/C7H11NS/c9-6-8-7-4-2-1-3-5-7/h7H,1-5H2",C7H11NS,141.0612205
401,2-Phenylpropan-1-ol,1123-85-9,DTXSID8037756,14295,2-Phenylpropan-1-ol,RNDNSYIPLPAXAZ-UHFFFAOYSA-N,2-Phenylpropan-1-ol,CC(CO)C1=CC=CC=C1,"InChI=1S/C9H12O/c1-8(7-10)9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3",C9H12O,136.088815
402,"1,4-Dichloro-2,5-dimethylbenzene",1124-05-6,DTXSID5044780,70755,"1,4-Dichloro-2,5-dimethylbenzene",UTGSRNVBAFCOEU-UHFFFAOYSA-N,"1,4-Dichloro-2,5-dimethylbenzene",CC1=CC(Cl)=C(C)C=C1Cl,"InChI=1S/C8H8Cl2/c1-5-3-8(10)6(2)4-7(5)9/h3-4H,1-2H3",C8H8Cl2,174.0003057
403,3-Cyclohexylpropan-1-ol,1124-63-6,DTXSID0047244,70763,3-Cyclohexylpropan-1-ol,CLYAQFSQLQTVNO-UHFFFAOYSA-N,3-Cyclohexylpropan-1-ol,OCCCC1CCCCC1,"InChI=1S/C9H18O/c10-8-4-7-9-5-2-1-3-6-9/h9-10H,1-8H2",C9H18O,142.1357652
404,"(3E,6S,12R)-6-Hydroxy-12-methyloxacyclododec-3-ene-2,5-dione (ACI)",1124292-43-8,,134831654,"(3E,6S,12R)-6-Hydroxy-12-methyloxacyclododec-3-ene-2,5-dione (ACI)",OFRQIORIBGXHBF-PSFRMBJNSA-N,"(3E,6S,12R)-6-hydroxy-12-methyl-1-oxacyclododec-3-ene-2,5-dione",O=C1OC(C)CCCCCC(O)C(=O)C=C1,"InChI=1S/C12H18O4/c1-9-5-3-2-4-6-10(13)11(14)7-8-12(15)16-9/h7-10,13H,2-6H2,1H3",C12H18O4,226.121
405,"1,3-Cyclohexanedione, 2,5,5-trimethyl-",1125-11-7,DTXSID50150069,136901,"1,3-Cyclohexanedione, 2,5,5-trimethyl-",WJTGLPHMQKJRIX-UHFFFAOYSA-N,"2,5,5-Trimethylcyclohexane-1,3-dione",CC1C(=O)CC(C)(C)CC1=O,"InChI=1S/C9H14O2/c1-6-7(10)4-9(2,3)5-8(6)11/h6H,4-5H2,1-3H3",C9H14O2,154.0993797
406,"2,6,6-Trimethyl-2-cyclohexene-1,4-dione",1125-21-9,DTXSID9021685,62374,"2,6,6-Trimethyl-2-cyclohexene-1,4-dione",AYJXHIDNNLJQDT-UHFFFAOYSA-N,"2,6,6-Trimethylcyclohex-2-ene-1,4-dione",CC1=CC(=O)CC(C)(C)C1=O,"InChI=1S/C9H12O2/c1-6-4-7(10)5-9(2,3)8(6)11/h4H,5H2,1-3H3",C9H12O2,152.0837296
407,2-Butylcyclohexanone,1126-18-7,DTXSID501315255,70771,2-Butylcyclohexanone,POYYYXPQBFPUKS-UHFFFAOYSA-N,2-Butylcyclohexan-1-one,CCCCC1CCCCC1=O,"InChI=1S/C10H18O/c1-2-3-6-9-7-4-5-8-10(9)11/h9H,2-8H2,1H3",C10H18O,154.1357652
408,"1,1?-Thiobis[cyclopentane] (ACI)",1126-65-4,,549702,"1,1?-Thiobis[cyclopentane] (ACI)",MSXKFSFICXVOAJ-UHFFFAOYSA-N,cyclopentylsulfanylcyclopentane,S(C1CCCC1)C2CCCC2,"InChI=1S/C10H18S/c1-2-6-9(5-1)11-10-7-3-4-8-10/h9-10H,1-8H2",C10H18S,170.113
409,1-Ethylnaphthalene,1127-76-0,DTXSID10870852,14315,1-Ethylnaphthalene,ZMXIYERNXPIYFR-UHFFFAOYSA-N,1-Ethylnaphthalene,CCC1=CC=CC2=C1C=CC=C2,"InChI=1S/C12H12/c1-2-10-7-5-8-11-6-3-4-9-12(10)11/h3-9H,2H2,1H3",C12H12,156.0939004
410,"1,1,2,2,3,3,4,4,5,5,6,6,7-Tridecafluorooctan-1-ol",112708-16-4,DTXSID90592601,18179202,"1,1,2,2,3,3,4,4,5,5,6,6,7-Tridecafluorooctan-1-ol",KIRIXOGQHXHZKY-UHFFFAOYSA-N,"1,1,2,2,3,3,4,4,5,5,6,6,7-Tridecafluorooctan-1-ol",CC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(O)(F)F,"InChI=1S/C8H5F13O/c1-2(9)3(10,11)4(12,13)5(14,15)6(16,17)7(18,19)8(20,21)22/h2,22H,1H3",C8H5F13O,364.0132809
411,Metolcarb,1129-41-5,DTXSID8057938,14322,Metolcarb,VOEYXMAFNDNNED-UHFFFAOYSA-N,3-Methylphenyl hydrogen methylcarbonimidate,CN=C(O)OC1=CC=CC(C)=C1,"InChI=1S/C9H11NO2/c1-7-4-3-5-8(6-7)12-9(11)10-2/h3-6H,1-2H3,(H,10,11)",C9H11NO2,165.0789786
412,"L-Galactose, 3,6-anhydro-4-O-(2,3,4,6-tetra-O-acetyl-?-D-galactopyranosyl)-, 2,5-diacetate (ACI)",1131424-08-2,,25208621,"L-Galactose, 3,6-anhydro-4-O-(2,3,4,6-tetra-O-acetyl-?-D-galactopyranosyl)-, 2,5-diacetate (ACI)",LPMBCWOWCKJZAF-JWWVCKRBSA-N,"[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[(2R,3R,4S)-4-acetyloxy-2-[(1S)-1-acetyloxy-2-oxoethyl]oxolan-3-yl]oxyoxan-2-yl]methyl acetate",O=CC(OC(=O)C)C1OCC(OC(=O)C)C1OC2OC(COC(=O)C)C(OC(=O)C)C(OC(=O)C)C2OC(=O)C,"InChI=1S/C24H32O16/c1-10(26)32-8-18-21(36-13(4)29)22(37-14(5)30)23(38-15(6)31)24(39-18)40-20-17(35-12(3)28)9-33-19(20)16(7-25)34-11(2)27/h7,16-24H,8-9H2,1-6H3",C24H32O16,576.169
413,(-)-Isolongifolene,1135-66-6,DTXSID1044518,11127402,(-)-Isolongifolene,CQUAYTJDLQBXCQ-NHYWBVRUSA-N,"(2S,4aR)-1,1,5,5-Tetramethyl-1,3,4,5,6,7-hexahydro-2H-2,4a-methanonaphthalene",CC1(C)[C@H]2CC[C@]3(C2)C1=CCCC3(C)C,"InChI=1S/C15H24/c1-13(2)8-5-6-12-14(3,4)11-7-9-15(12,13)10-11/h6,11H,5,7-10H2,1-4H3/t11-,15-/m0/s1",C15H24,204.1878008
414,(+)-Longicyclene,1137-12-8,DTXSID90858739,,(+)-Longicyclene,WCEIQUQVIOGRBF-NWMUFTAWNA-N,"(2R,3aR,4R,8aR)-1,5,5,8a-Tetramethyldecahydro-1,2,4-(methanetriyl)azulene",C[C@]12[C@@H]3C[C@@H]4[C@H]([C@@H]13)C(C)(C)CCC[C@@]24C,"InChI=1S/C15H24/c1-13(2)6-5-7-14(3)9-8-10-12(11(9)13)15(10,14)4/h9-12H,5-8H2,1-4H3/t9-,10-,11-,12+,14-,15+/m1/s1",C15H24,204.1878008
415,4-Hydroxybenzophenone,1137-42-4,DTXSID5036684,14347,4-Hydroxybenzophenone,NPFYZDNDJHZQKY-UHFFFAOYSA-N,(4-Hydroxyphenyl)(phenyl)methanone,OC1=CC=C(C=C1)C(=O)C1=CC=CC=C1,"InChI=1S/C13H10O2/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h1-9,14H",C13H10O2,198.0680796
416,"3,5-Di-tert-butylphenol",1138-52-9,DTXSID3061558,70825,"3,5-Di-tert-butylphenol",ZDWSNKPLZUXBPE-UHFFFAOYSA-N,"3,5-Di-tert-butylphenol",CC(C)(C)C1=CC(=CC(O)=C1)C(C)(C)C,"InChI=1S/C14H22O/c1-13(2,3)10-7-11(14(4,5)6)9-12(15)8-10/h7-9,15H,1-6H3",C14H22O,206.1670653
417,(-)Carophyllene oxide,1139-30-6,DTXSID4051586,1742210,(-)Carophyllene oxide,NVEQFIOZRFFVFW-RGCMKSIDSA-N,"(1R,4R,6R,10S)-4,12,12-Trimethyl-9-methylidene-5-oxatricyclo[8.2.0.0~4,6~]dodecane",C[C@@]12CC[C@@H]3[C@H](CC3(C)C)C(=C)CC[C@H]1O2,"InChI=1S/C15H24O/c1-10-5-6-13-15(4,16-13)8-7-12-11(10)9-14(12,2)3/h11-13H,1,5-9H2,2-4H3/t11-,12-,13-,15-/m1/s1",C15H24O,220.1827154
418,4-Oxodecanedioic acid (ACI),114212-45-2,,1755,4-Oxodecanedioic acid (ACI),XTQIBFVBYWIHIP-UHFFFAOYSA-N,4-oxodecanedioic acid,O=C(O)CCC(=O)CCCCCC(=O)O,"InChI=1S/C10H16O5/c11-8(6-7-10(14)15)4-2-1-3-5-9(12)13/h1-7H2,(H,12,13)(H,14,15)",C10H16O5,216.1
419,Furopelargone A,1143-45-9,DTXSID20150692,6451194,Furopelargone A,DVIZGXBTTFXQQC-BPNCWPANSA-N,"1-{(1R,2S,3S)-3-Methyl-2-[3-(propan-2-yl)furan-2-yl]cyclopentyl}ethan-1-one",CC(C)C1=C(OC=C1)[C@H]1[C@@H](C)CC[C@H]1C(C)=O,"InChI=1S/C15H22O2/c1-9(2)12-7-8-17-15(12)14-10(3)5-6-13(14)11(4)16/h7-10,13-14H,5-6H2,1-4H3/t10-,13-,14-/m0/s1",C15H22O2,234.1619799
420,"4-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-3-penten-2-one",114933-28-7,DTXSID00905026,5372175,"4-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-3-penten-2-one",PSLHSYRVWGKZHP-PKNBQFBNSA-N,"(3E)-4-(2,6,6-Trimethylcyclohex-2-en-1-yl)pent-3-en-2-one",CC(=O)\C=C(/C)C1C(C)=CCCC1(C)C,"InChI=1S/C14H22O/c1-10-7-6-8-14(4,5)13(10)11(2)9-12(3)15/h7,9,13H,6,8H2,1-5H3/b11-9+",C14H22O,206.1670653
421,Endosulfan,115-29-7,DTXSID1020560,3224,Endosulfan,RDYMFSUJUZBWLH-UHFFFAOYSA-N,"6,7,8,9,10,10-Hexachloro-1,5,5a,6,9,9a-hexahydro-3H-6,9-methano-3lambda~4~-2,4,3lambda~4~-benzodioxathiepin-3-one",ClC1=C(Cl)C2(Cl)C3COS(=O)OCC3C1(Cl)C2(Cl)Cl,"InChI=1S/C9H6Cl6O3S/c10-5-6(11)8(13)4-2-18-19(16)17-1-3(4)7(5,12)9(8,14)15/h3-4H,1-2H2",C9H6Cl6O3S,403.8168814
422,Triphenyl phosphate,115-86-6,DTXSID1021952,8289,Triphenyl phosphate,XZZNDPSIHUTMOC-UHFFFAOYSA-N,Triphenyl phosphate,O=P(OC1=CC=CC=C1)(OC1=CC=CC=C1)OC1=CC=CC=C1,"InChI=1S/C18H15O4P/c19-23(20-16-10-4-1-5-11-16,21-17-12-6-2-7-13-17)22-18-14-8-3-9-15-18/h1-15H",C18H15O4P,326.070796
423,Bis(p-tert-butylphenyl) phenyl phosphate,115-87-7,DTXSID1073157,66997,Bis(p-tert-butylphenyl) phenyl phosphate,PDLPMCXGPIVYQQ-UHFFFAOYSA-N,Bis(4-tert-butylphenyl) phenyl phosphate,CC(C)(C)C1=CC=C(OP(=O)(OC2=CC=CC=C2)OC2=CC=C(C=C2)C(C)(C)C)C=C1,"InChI=1S/C26H31O4P/c1-25(2,3)20-12-16-23(17-13-20)29-31(27,28-22-10-8-7-9-11-22)30-24-18-14-21(15-19-24)26(4,5)6/h7-19H,1-6H3",C26H31O4P,438.1959965
424,"Phosphoric acid, methyl diphenyl ester",115-89-9,DTXSID7059432,8291,"Phosphoric acid, methyl diphenyl ester",VOWPVJACXJNHBC-UHFFFAOYSA-N,Methyl diphenyl phosphate,COP(=O)(OC1=CC=CC=C1)OC1=CC=CC=C1,"InChI=1S/C13H13O4P/c1-15-18(14,16-12-8-4-2-5-9-12)17-13-10-6-3-7-11-13/h2-11H,1H3",C13H13O4P,264.0551459
425,Linalyl acetate,115-95-7,DTXSID7026946,8294,Linalyl acetate,UWKAYLJWKGQEPM-UHFFFAOYSA-N,"3,7-Dimethylocta-1,6-dien-3-yl acetate",CC(C)=CCCC(C)(OC(C)=O)C=C,"InChI=1S/C12H20O2/c1-6-12(5,14-11(4)13)9-7-8-10(2)3/h6,8H,1,7,9H2,2-5H3",C12H20O2,196.1463299
426,Tris(2-chloroethyl) phosphate,115-96-8,DTXSID5021411,8295,Tris(2-chloroethyl) phosphate,HQUQLFOMPYWACS-UHFFFAOYSA-N,Tris(2-chloroethyl) phosphate,ClCCOP(=O)(OCCCl)OCCCl,"InChI=1S/C6H12Cl3O4P/c7-1-4-11-14(10,12-5-2-8)13-6-3-9/h1-6H2",C6H12Cl3O4P,283.953879
427,Linalyl formate,115-99-1,DTXSID2047642,61040,Linalyl formate,JZOCDHMHLGUPFI-UHFFFAOYSA-N,"3,7-Dimethylocta-1,6-dien-3-yl formate",CC(C)=CCCC(C)(OC=O)C=C,"InChI=1S/C11H18O2/c1-5-11(4,13-9-12)8-6-7-10(2)3/h5,7,9H,1,6,8H2,2-4H3",C11H18O2,182.1306798
428,Hexadecyl ?-D-xylopyranoside (ACI),115211-19-3,,133065431,Hexadecyl ?-D-xylopyranoside (ACI),KQFKLUYHYJJLMP-PLACYPQZSA-N,"(2R,3R,4S,5R)-2-hexadecoxyoxane-3,4,5-triol",OC1COC(OCCCCCCCCCCCCCCCC)C(O)C1O,"InChI=1S/C21H42O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-25-21-20(24)19(23)18(22)17-26-21/h18-24H,2-17H2,1H3",C21H42O5,374.303
429,"3,3,5-Trimethylcyclohexanol",116-02-9,DTXSID9041815,8298,"3,3,5-Trimethylcyclohexanol",BRRVXFOKWJKTGG-UHFFFAOYSA-N,"3,3,5-Trimethylcyclohexan-1-ol",CC1CC(O)CC(C)(C)C1,"InChI=1S/C9H18O/c1-7-4-8(10)6-9(2,3)5-7/h7-8,10H,4-6H2,1-3H3",C9H18O,142.1357652
430,"2,2',3,3',4,4',5,5',6,6'-Decabromodiphenyl ether",1163-19-5,DTXSID9020376,14410,"2,2',3,3',4,4',5,5',6,6'-Decabromodiphenyl ether",WHHGLZMJPXIBIX-UHFFFAOYSA-N,"1,1'-Oxybis(pentabromobenzene)",BrC1=C(Br)C(Br)=C(OC2=C(Br)C(Br)=C(Br)C(Br)=C2Br)C(Br)=C1Br,InChI=1S/C12Br10O/c13-1-3(15)7(19)11(8(20)4(1)16)23-12-9(21)5(17)2(14)6(18)10(12)22,C12Br10O,949.178295
431,"1,6-Bis(7-hydroxyheptyl) hexanedioate (ACI)",116336-25-5,,101493123,"1,6-Bis(7-hydroxyheptyl) hexanedioate (ACI)",UDCUBNHPSHYCIF-UHFFFAOYSA-N,bis(7-hydroxyheptyl) hexanedioate,O=C(OCCCCCCCO)CCCCC(=O)OCCCCCCCO,"InChI=1S/C20H38O6/c21-15-9-3-1-5-11-17-25-19(23)13-7-8-14-20(24)26-18-12-6-2-4-10-16-22/h21-22H,1-18H2",C20H38O6,374.267
432,[5-Chloro-4-(dodecyloxy)-2-hydroxyphenyl](4-methoxyphenyl)methanone (ACI),116400-88-5,,518100,[5-Chloro-4-(dodecyloxy)-2-hydroxyphenyl](4-methoxyphenyl)methanone (ACI),ZBNHYEUPICXLEK-UHFFFAOYSA-N,(5-chloro-4-dodecoxy-2-hydroxyphenyl)-(4-methoxyphenyl)methanone,O=C(C1=CC=C(OC)C=C1)C=2C=C(Cl)C(OCCCCCCCCCCCC)=CC2O,"InChI=1S/C26H35ClO4/c1-3-4-5-6-7-8-9-10-11-12-17-31-25-19-24(28)22(18-23(25)27)26(29)20-13-15-21(30-2)16-14-20/h13-16,18-19,28H,3-12,17H2,1-2H3",C26H35ClO4,446.222
433,"3,4,5-Tribromophenol (ACI)",116434-90-3,,32929,"3,4,5-Tribromophenol (ACI)",KAVNMOZXRFSVPM-UHFFFAOYSA-N,"3,4,5-tribromophenol",BrC=1C=C(O)C=C(Br)C1Br,"InChI=1S/C6H3Br3O/c7-4-1-3(10)2-5(8)6(4)9/h1-2,10H",C6H3Br3O,327.773
434,2-Amino-2-methylpropyl octadecanoate,116778-08-6,DTXSID40709489,54167419,2-Amino-2-methylpropyl octadecanoate,OSQFRQIGHNJUPC-UHFFFAOYSA-N,2-Amino-2-methylpropyl octadecanoate,CCCCCCCCCCCCCCCCCC(=O)OCC(C)(C)N,"InChI=1S/C22H45NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(24)25-20-22(2,3)23/h4-20,23H2,1-3H3",C22H45NO2,355.3450297
435,Di(2-ethylhexyl) phthalate,117-81-7,DTXSID5020607,8343,Di(2-ethylhexyl) phthalate,BJQHLKABXJIVAM-UHFFFAOYSA-N,"Bis(2-ethylhexyl) benzene-1,2-dicarboxylate",CCCCC(CC)COC(=O)C1=C(C=CC=C1)C(=O)OCC(CC)CCCC,"InChI=1S/C24H38O4/c1-5-9-13-19(7-3)17-27-23(25)21-15-11-12-16-22(21)24(26)28-18-20(8-4)14-10-6-2/h11-12,15-16,19-20H,5-10,13-14,17-18H2,1-4H3",C24H38O4,390.2770097
436,Di(2-methoxyethyl) phthalate,117-82-8,DTXSID8025094,8344,Di(2-methoxyethyl) phthalate,HSUIVCLOAAJSRE-UHFFFAOYSA-N,"Bis(2-methoxyethyl) benzene-1,2-dicarboxylate",COCCOC(=O)C1=C(C=CC=C1)C(=O)OCCOC,"InChI=1S/C14H18O6/c1-17-7-9-19-13(15)11-5-3-4-6-12(11)14(16)20-10-8-18-2/h3-6H,7-10H2,1-2H3",C14H18O6,282.1103383
437,Bis(2-butoxyethyl) phthalate,117-83-9,DTXSID9047174,8345,Bis(2-butoxyethyl) phthalate,CMCJNODIWQEOAI-UHFFFAOYSA-N,"Bis(2-butoxyethyl) benzene-1,2-dicarboxylate",CCCCOCCOC(=O)C1=CC=CC=C1C(=O)OCCOCCCC,"InChI=1S/C20H30O6/c1-3-5-11-23-13-15-25-19(21)17-9-7-8-10-18(17)20(22)26-16-14-24-12-6-4-2/h7-10H,3-6,11-16H2,1-2H3",C20H30O6,366.2042387
438,Di-n-octyl phthalate,117-84-0,DTXSID1021956,8346,Di-n-octyl phthalate,MQIUGAXCHLFZKX-UHFFFAOYSA-N,"Dioctyl benzene-1,2-dicarboxylate",CCCCCCCCOC(=O)C1=C(C=CC=C1)C(=O)OCCCCCCCC,"InChI=1S/C24H38O4/c1-3-5-7-9-11-15-19-27-23(25)21-17-13-14-18-22(21)24(26)28-20-16-12-10-8-6-4-2/h13-14,17-18H,3-12,15-16,19-20H2,1-2H3",C24H38O4,390.2770097
439,"Ethyl 4-[3-[[[2-(3,4-dihydroxyphenyl)ethyl]amino]carbonyl]-3-methyl-1-triazen-1-yl]benzoate (ACI)",1170126-94-9,,44138913,"Ethyl 4-[3-[[[2-(3,4-dihydroxyphenyl)ethyl]amino]carbonyl]-3-methyl-1-triazen-1-yl]benzoate (ACI)",ODRFRWNNFRPYHW-UHFFFAOYSA-N,"ethyl 4-[[2-(3,4-dihydroxyphenyl)ethylcarbamoyl-methylamino]diazenyl]benzoate",O=C(OCC)C1=CC=C(N=NN(C(=O)NCCC2=CC=C(O)C(O)=C2)C)C=C1,"InChI=1S/C19H22N4O5/c1-3-28-18(26)14-5-7-15(8-6-14)21-22-23(2)19(27)20-11-10-13-4-9-16(24)17(25)12-13/h4-9,12,24-25H,3,10-11H2,1-2H3,(H,20,27)",C19H22N4O5,386.159
440,7-epi-?-Eudesmol,117066-77-0,,6428429,7-epi-?-Eudesmol,WMOPMQRJLLIEJV-SWLSCSKDSA-N,"2-[(2S,4aR)-4a,8-dimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl]propan-2-ol",OC(C)(C)C1CC2=C(C)CCCC2(C)CC1,"InChI=1S/C15H26O/c1-11-6-5-8-15(4)9-7-12(10-13(11)15)14(2,3)16/h12,16H,5-10H2,1-4H3",C15H26O,222.198
441,"Benzene, 1-butyl-4-[(4-ethylphenyl)ethynyl]-",117392-63-9,DTXSID60346537,613089,"Benzene, 1-butyl-4-[(4-ethylphenyl)ethynyl]-",FEWCQIVPFKPBDH-UHFFFAOYSA-N,1-Butyl-4-[(4-ethylphenyl)ethynyl]benzene,CCCCC1=CC=C(C=C1)C#CC1=CC=C(CC)C=C1,"InChI=1S/C20H22/c1-3-5-6-18-11-13-20(14-12-18)16-15-19-9-7-17(4-2)8-10-19/h7-14H,3-6H2,1-2H3",C20H22,262.1721507
442,1-[(2S)-4-Amino-2-[(1-oxooctyl)amino]butanoic acid]-6-glycinepolymyxin B1 (ACI),1173923-70-0,,25232120,1-[(2S)-4-Amino-2-[(1-oxooctyl)amino]butanoic acid]-6-glycinepolymyxin B1 (ACI),QWJXRGKPSLIQCG-AQQFSTMASA-N,"N-[(2S)-4-amino-1-[[(2S,3R)-1-[[(2S)-4-amino-1-oxo-1-[[(3S,6S,9S,12S,18S,21S)-6,9,18-tris(2-aminoethyl)-3-[(1R)-1-hydroxyethyl]-12-(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazacyclotricos-21-yl]amino]butan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]octanamide",O=C1NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CCCCCCC)CCN)C(O)C)CCN)C(=O)NC(C(=O)NC1)CCN)C(O)C)CCN)CCN)CC(C)C,"InChI=1S/C48H90N16O13/c1-6-7-8-9-10-11-36(67)56-30(13-19-50)44(73)64-39(28(5)66)48(77)62-32(15-21-52)42(71)61-34-17-23-54-47(76)38(27(4)65)63-45(74)33(16-22-53)59-41(70)31(14-20-51)60-46(75)35(24-26(2)3)57-37(68)25-55-40(69)29(12-18-49)58-43(34)72/h26-35,38-39,65-66H,6-25,49-53H2,1-5H3,(H,54,76)(H,55,69)(H,56,67)(H,57,68)(H,58,72)(H,59,70)(H,60,75)(H,61,71)(H,62,77)(H,63,74)(H,64,73)",C48H90N16O13,1098.69
443,"L-altro-Non-7-enitol, 1,5-anhydro-2,6,7,8-tetradeoxy-2-[[3-(2-hydroxy-1-methylpropyl)oxiranyl]methyl]-9-O-(9-methoxy-9-oxononyl)-7-methyl-, [2[2S,3S(1S,2S)],7E]- (9CI)",117438-17-2,,,"L-altro-Non-7-enitol, 1,5-anhydro-2,6,7,8-tetradeoxy-2-[[3-(2-hydroxy-1-methylpropyl)oxiranyl]methyl]-9-O-(9-methoxy-9-oxononyl)-7-methyl-, [2[2S,3S(1S,2S)],7E]- (9CI)",MQAUSJXEFGJXLU-FCBQLTEVSA-N,,O=C(OC)CCCCCCCCOCC=C(C)CC1OCC(CC2OC2C(C)C(O)C)C(O)C1O,"InChI=1S/C27H48O8/c1-18(12-14-33-13-10-8-6-5-7-9-11-24(29)32-4)15-22-26(31)25(30)21(17-34-22)16-23-27(35-23)19(2)20(3)28/h12,19-23,25-28,30-31H,5-11,13-17H2,1-4H3",,
444,"1,5,9,13,17,21-Hexaoxacyclotetracosane-2,4,10,12,18,20-hexone (9CI, ACI)",117504-48-0,,11517630,"1,5,9,13,17,21-Hexaoxacyclotetracosane-2,4,10,12,18,20-hexone (9CI, ACI)",CRJSTYVCXUSAMG-UHFFFAOYSA-N,"1,5,9,13,17,21-hexaoxacyclotetracosane-2,4,10,12,18,20-hexone",O=C1OCCCOC(=O)CC(=O)OCCCOC(=O)CC(=O)OCCCOC(=O)C1,InChI=1S/C18H24O12/c19-13-10-15(21)27-6-2-8-29-17(23)12-18(24)30-9-3-7-28-16(22)11-14(20)26-5-1-4-25-13/h1-12H2,C18H24O12,432.127
445,"Methyl 4-(acetyloxy)octahydro-1b-hydroxy-5a-methyl-3-(1-methylethenyl)-5-oxospiro[6H-indeno[1,2-b]oxirene-6,2?-oxirane]-2-carboxylate (ACI)",1177718-51-2,,539690,"Methyl 4-(acetyloxy)octahydro-1b-hydroxy-5a-methyl-3-(1-methylethenyl)-5-oxospiro[6H-indeno[1,2-b]oxirene-6,2?-oxirane]-2-carboxylate (ACI)",UJENJMHDNPQFPX-UHFFFAOYSA-N,"methyl 4-acetyloxy-1b-hydroxy-5a-methyl-5-oxo-3-prop-1-en-2-ylspiro[2,3,4,6a-tetrahydro-1aH-indeno[1,2-b]oxirene-6,2'-oxirane]-2-carboxylate",O=C(OC1C(=O)C2(C)C(O)(C3OC3C42OC4)C(C(=O)OC)C1C(=C)C)C,"InChI=1S/C18H22O8/c1-7(2)9-10(15(21)23-5)18(22)14-13(26-14)17(6-24-17)16(18,4)12(20)11(9)25-8(3)19/h9-11,13-14,22H,1,6H2,2-5H3",C18H22O8,366.131
446,"2,4-Diethyl-6-methyl-1,3,5-trioxane",117888-04-7,DTXSID30338242,547840,"2,4-Diethyl-6-methyl-1,3,5-trioxane",SWBSXEDRNYINCU-UHFFFAOYSA-N,"2,4-Diethyl-6-methyl-1,3,5-trioxane",CCC1OC(C)OC(CC)O1,"InChI=1S/C8H16O3/c1-4-7-9-6(3)10-8(5-2)11-7/h6-8H,4-5H2,1-3H3",C8H16O3,160.1099444
447,"2,2',3,4,4',6,6'-Heptabromodiphenyl ether",117948-63-7,DTXSID50448655,10930591,"2,2',3,4,4',6,6'-Heptabromodiphenyl ether",JHDCZVAQPRXHEL-UHFFFAOYSA-N,"1,2,3,5-Tetrabromo-4-(2,4,6-tribromophenoxy)benzene",BrC1=CC(Br)=C(OC2=C(Br)C(Br)=C(Br)C=C2Br)C(Br)=C1,InChI=1S/C12H3Br7O/c13-4-1-6(15)11(7(16)2-4)20-12-8(17)3-5(14)9(18)10(12)19/h1-3H,C12H3Br7O,715.446756
448,"2,2?,3,3?,4,4?,6,6?-octabromodiphenyl ether",117964-21-3,DTXSID9074775,11967214,"2,2′,3,3′,4,4′,6,6′-octabromodiphenyl ether",AAFUUKPTSPVXJH-UHFFFAOYSA-N,"1,1'-Oxybis(2,3,4,6-tetrabromobenzene)",BrC1=CC(Br)=C(OC2=C(Br)C(Br)=C(Br)C=C2Br)C(Br)=C1Br,InChI=1S/C12H2Br8O/c13-3-1-5(15)11(9(19)7(3)17)21-12-6(16)2-4(14)8(18)10(12)20/h1-2H,C12H2Br8O,793.357269
449,N-(Hydroxymethyl)phthalimide,118-29-6,DTXSID1026954,8354,N-(Hydroxymethyl)phthalimide,MNSGOOCAMMSKGI-UHFFFAOYSA-N,"2-(Hydroxymethyl)-1H-isoindole-1,3(2H)-dione",OCN1C(=O)C2=C(C=CC=C2)C1=O,"InChI=1S/C9H7NO3/c11-5-10-8(12)6-3-1-2-4-7(6)9(10)13/h1-4,11H,5H2",C9H7NO3,177.0425931
450,"3,3,5-Trimethylcyclohexyl salicylate",118-56-9,DTXSID1026241,8362,"3,3,5-Trimethylcyclohexyl salicylate",WSSJONWNBBTCMG-UHFFFAOYSA-N,"3,3,5-Trimethylcyclohexyl 2-hydroxybenzoate",CC1CC(CC(C)(C)C1)OC(=O)C1=C(O)C=CC=C1,"InChI=1S/C16H22O3/c1-11-8-12(10-16(2,3)9-11)19-15(18)13-6-4-5-7-14(13)17/h4-7,11-12,17H,8-10H2,1-3H3",C16H22O3,262.1568946
451,Benzyl salicylate,118-58-1,DTXSID1024598,8363,Benzyl salicylate,ZCTQGTTXIYCGGC-UHFFFAOYSA-N,Benzyl 2-hydroxybenzoate,OC1=C(C=CC=C1)C(=O)OCC1=CC=CC=C1,"InChI=1S/C14H12O3/c15-13-9-5-4-8-12(13)14(16)17-10-11-6-2-1-3-7-11/h1-9,15H,10H2",C14H12O3,228.0786442
452,2-Ethylhexyl salicylate,118-60-5,DTXSID7040734,8364,2-Ethylhexyl salicylate,FMRHJJZUHUTGKE-UHFFFAOYSA-N,2-Ethylhexyl 2-hydroxybenzoate,CCCCC(CC)COC(=O)C1=C(O)C=CC=C1,"InChI=1S/C15H22O3/c1-3-5-8-12(4-2)11-18-15(17)13-9-6-7-10-14(13)16/h6-7,9-10,12,16H,3-5,8,11H2,1-2H3",C15H22O3,250.1568946
453,Ethyl salicylate,118-61-6,DTXSID1021958,8365,Ethyl salicylate,GYCKQBWUSACYIF-UHFFFAOYSA-N,Ethyl 2-hydroxybenzoate,CCOC(=O)C1=C(O)C=CC=C1,"InChI=1S/C9H10O3/c1-2-12-9(11)7-5-3-4-6-8(7)10/h3-6,10H,2H2,1H3",C9H10O3,166.0629942
454,Isocaryophyllene,118-65-0,DTXSID10881246,5281522,Isocaryophyllene,NPNUFJAVOOONJE-FLFDDASRSA-N,"(1R,4Z,9S)-4,11,11-Trimethyl-8-methylidenebicyclo[7.2.0]undec-4-ene",[H][C@]12CC(C)(C)[C@]1([H])CC\C(C)=C/CCC2=C,"InChI=1S/C15H24/c1-11-6-5-7-12(2)13-10-15(3,4)14(13)9-8-11/h6,13-14H,2,5,7-10H2,1,3-4H3/b11-6-/t13-,14-/m1/s1",C15H24,204.1878008
455,Hexachlorobenzene,118-74-1,DTXSID2020682,8370,Hexachlorobenzene,CKAPSXZOOQJIBF-UHFFFAOYSA-N,Hexachlorobenzene,ClC1=C(Cl)C(Cl)=C(Cl)C(Cl)=C1Cl,InChI=1S/C6Cl6/c7-1-2(8)4(10)6(12)5(11)3(1)9,C6Cl6,281.8131162
456,"2,4,6-Tribromophenol",118-79-6,DTXSID6021959,1483,"2,4,6-Tribromophenol",BSWWXRFVMJHFBN-UHFFFAOYSA-N,"2,4,6-Tribromophenol",OC1=C(Br)C=C(Br)C=C1Br,"InChI=1S/C6H3Br3O/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H",C6H3Br3O,327.773404
457,"4,4'-Methylenebis(2,6-di-t-butylphenol)",118-82-1,DTXSID7022411,8372,"4,4'-Methylenebis(2,6-di-t-butylphenol)",MDWVSAYEQPLWMX-UHFFFAOYSA-N,"4,4'-Methylenebis(2,6-di-tert-butylphenol)",CC(C)(C)C1=CC(CC2=CC(=C(O)C(=C2)C(C)(C)C)C(C)(C)C)=CC(=C1O)C(C)(C)C,"InChI=1S/C29H44O2/c1-26(2,3)20-14-18(15-21(24(20)30)27(4,5)6)13-19-16-22(28(7,8)9)25(31)23(17-19)29(10,11)12/h14-17,30-31H,13H2,1-12H3",C29H44O2,424.3341307
458,"?-D-Glucopyranosiduronic acid, methoxymethyl, methyl ester, triacetate (9CI)",118173-61-8,,,"?-D-Glucopyranosiduronic acid, methoxymethyl, methyl ester, triacetate (9CI)",SXDMLHFYVIQYPG-XOBFJNJYSA-N,,O=C(OC1C(OCOC)OC(C(=O)OC)C(OC(=O)C)C1OC(=O)C)C,"InChI=1S/C15H22O11/c1-7(16)23-10-11(24-8(2)17)13(25-9(3)18)15(22-6-20-4)26-12(10)14(19)21-5/h10-13,15H,6H2,1-5H3",,
459,"pentane, 2,2,3,4-tetramethyl-",1186-53-4,DTXSID30870854,14462,"pentane, 2,2,3,4-tetramethyl-",VZFMYOCAEQDWDY-UHFFFAOYSA-N,"2,2,3,4-Tetramethylpentane",CC(C)C(C)C(C)(C)C,"InChI=1S/C9H20/c1-7(2)8(3)9(4,5)6/h7-8H,1-6H3",C9H20,128.1565006
460,"Heptane, 2,5,5-trimethyl-",1189-99-7,DTXSID50152260,14478,"Heptane, 2,5,5-trimethyl-",SOYLPZSOEXZMLE-UHFFFAOYSA-N,"2,5,5-Trimethylheptane",CCC(C)(C)CCC(C)C,"InChI=1S/C10H22/c1-6-10(4,5)8-7-9(2)3/h9H,6-8H2,1-5H3",C10H22,142.1721507
461,Octyl decyl phthalate,119-07-3,DTXSID1047497,8380,Octyl decyl phthalate,LVAGMBHLXLZJKZ-UHFFFAOYSA-N,"Decyl octyl benzene-1,2-dicarboxylate",CCCCCCCCCCOC(=O)C1=C(C=CC=C1)C(=O)OCCCCCCCC,"InChI=1S/C26H42O4/c1-3-5-7-9-11-12-14-18-22-30-26(28)24-20-16-15-19-23(24)25(27)29-21-17-13-10-8-6-4-2/h15-16,19-20H,3-14,17-18,21-22H2,1-2H3",C26H42O4,418.3083098
462,D-delta-Tocopherol,119-13-1,DTXSID1046263,92094,D-delta-Tocopherol,GZIFEOYASATJEH-VHFRWLAGSA-N,"(2R)-2,8-Dimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-1-benzopyran-6-ol",CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)CCC2=C(O1)C(C)=CC(O)=C2,"InChI=1S/C27H46O2/c1-20(2)10-7-11-21(3)12-8-13-22(4)14-9-16-27(6)17-15-24-19-25(28)18-23(5)26(24)29-27/h18-22,28H,7-17H2,1-6H3/t21-,22-,27-/m1/s1",C27H46O2,402.3497807
463,Methyl salicylate,119-36-8,DTXSID5025659,4133,Methyl salicylate,OSWPMRLSEDHDFF-UHFFFAOYSA-N,Methyl 2-hydroxybenzoate,COC(=O)C1=C(O)C=CC=C1,"InChI=1S/C8H8O3/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5,9H,1H3",C8H8O3,152.0473441
464,"2,2'-Methylenebis(4-methyl-6-tert-butylphenol)",119-47-1,DTXSID4020870,8398,"2,2'-Methylenebis(4-methyl-6-tert-butylphenol)",KGRVJHAUYBGFFP-UHFFFAOYSA-N,"2,2'-Methylenebis(6-tert-butyl-4-methylphenol)",CC1=CC(CC2=CC(C)=CC(=C2O)C(C)(C)C)=C(O)C(=C1)C(C)(C)C,"InChI=1S/C23H32O2/c1-14-9-16(20(24)18(11-14)22(3,4)5)13-17-10-15(2)12-19(21(17)25)23(6,7)8/h9-12,24-25H,13H2,1-8H3",C23H32O2,340.2402303
465,Benzophenone,119-61-9,DTXSID0021961,3102,Benzophenone,RWCCWEUUXYIKHB-UHFFFAOYSA-N,Diphenylmethanone,O=C(C1=CC=CC=C1)C1=CC=CC=C1,InChI=1S/C13H10O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,C13H10O,182.0731649
466,Tetralin,119-64-2,DTXSID1026118,8404,Tetralin,CXWXQJXEFPUFDZ-UHFFFAOYSA-N,"1,2,3,4-Tetrahydronaphthalene",C1CCC2=C(C1)C=CC=C2,"InChI=1S/C10H12/c1-2-6-10-8-4-3-7-9(10)5-1/h1-2,5-6H,3-4,7-8H2",C10H12,132.0939004
467,Isoquinoline,119-65-3,DTXSID2047644,8405,Isoquinoline,AWJUIBRHMBBTKR-UHFFFAOYSA-N,Isoquinoline,C1=CC2=C(C=C1)C=NC=C2,InChI=1S/C9H7N/c1-2-4-9-7-10-6-5-8(9)3-1/h1-7H,C9H7N,129.0578492
468,"3,4-Dihydrocoumarin",119-84-6,DTXSID2020474,660,"3,4-Dihydrocoumarin",VMUXSMXIQBNMGZ-UHFFFAOYSA-N,"3,4-Dihydro-2H-1-benzopyran-2-one",O=C1CCC2=C(O1)C=CC=C2,"InChI=1S/C9H8O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-4H,5-6H2",C9H8O2,148.0524295
469,C.I. Disperse Black 6,119-90-4,DTXSID3025091,8411,C.I. Disperse Black 6,JRBJSXQPQWSCCF-UHFFFAOYSA-N,"3,3'-Dimethoxy[1,1'-biphenyl]-4,4'-diamine",COC1=CC(=CC=C1N)C1=CC(OC)=C(N)C=C1,"InChI=1S/C14H16N2O2/c1-17-13-7-9(3-5-11(13)15)10-4-6-12(16)14(8-10)18-2/h3-8H,15-16H2,1-2H3",C14H16N2O2,244.1211778
470,1-Methylethyl 12-methyltridecanoate (ACI),1192761-92-4,,44515574,1-Methylethyl 12-methyltridecanoate (ACI),OGLLIZLJSTXFCW-UHFFFAOYSA-N,propan-2-yl 12-methyltridecanoate,O=C(OC(C)C)CCCCCCCCCCC(C)C,"InChI=1S/C17H34O2/c1-15(2)13-11-9-7-5-6-8-10-12-14-17(18)19-16(3)4/h15-16H,5-14H2,1-4H3",C17H34O2,270.256
471,2-Benzyl-2-(dimethylamino)-1-[4-(morpholin-4-yl)phenyl]butan-1-one,119313-12-1,DTXSID5044786,86171,2-Benzyl-2-(dimethylamino)-1-[4-(morpholin-4-yl)phenyl]butan-1-one,UHFFVFAKEGKNAQ-UHFFFAOYSA-N,2-Benzyl-2-(dimethylamino)-1-[4-(morpholin-4-yl)phenyl]butan-1-one,CCC(CC1=CC=CC=C1)(N(C)C)C(=O)C1=CC=C(C=C1)N1CCOCC1,"InChI=1S/C23H30N2O2/c1-4-23(24(2)3,18-19-8-6-5-7-9-19)22(26)20-10-12-21(13-11-20)25-14-16-27-17-15-25/h5-13H,4,14-18H2,1-3H3",C23H30N2O2,366.2307282
472,Licoricesaponin E2,119417-96-8,,86278258,Licoricesaponin E2,ACCYCJOHUMRMMV-NHJGESHHSA-N,"(2S,3S,4S,5R,6R)-6-[(2R,3R,4S,5S,6S)-6-carboxy-2-[[(1R,2R,5S,6R,9R,11S,14S,15R,19S,21R)-2,5,6,10,10,14,21-heptamethyl-16,22-dioxo-23-oxahexacyclo[19.2.1.02,19.05,18.06,15.09,14]tetracos-17-en-11-yl]oxy]-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid",O=C(O)C1OC(OC2C(OC(C(=O)O)C(O)C2O)OC3CCC4(C)C5C(=O)C=C6C7CC8(C(=O)OC(C8)C7(C)CCC6(C)C5(C)CCC4C3(C)C)C)C(O)C(O)C1O,"InChI=1S/C42H60O16/c1-37(2)20-8-11-42(7)31(19(43)14-17-18-15-38(3)16-22(55-36(38)53)39(18,4)12-13-41(17,42)6)40(20,5)10-9-21(37)54-35-30(26(47)25(46)29(57-35)33(51)52)58-34-27(48)23(44)24(45)28(56-34)32(49)50/h14,18,20-31,34-35,44-48H,8-13,15-16H2,1-7H3,(H,49,50)(H,51,52)",C42H60O16,820.388
473,1-Methyl-4-(prop-1-en-2-yl)benzene,1195-32-0,DTXSID7047564,62385,1-Methyl-4-(prop-1-en-2-yl)benzene,MMSLOZQEMPDGPI-UHFFFAOYSA-N,1-Methyl-4-(prop-1-en-2-yl)benzene,CC(=C)C1=CC=C(C)C=C1,"InChI=1S/C10H12/c1-8(2)10-6-4-9(3)5-7-10/h4-7H,1H2,2-3H3",C10H12,132.0939004
474,alpha-Fenchone,1195-79-5,DTXSID9025324,14525,alpha-Fenchone,LHXDLQBQYFFVNW-UHFFFAOYSA-N,"1,3,3-Trimethylbicyclo[2.2.1]heptan-2-one",CC1(C)C2CCC(C)(C2)C1=O,"InChI=1S/C10H16O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7H,4-6H2,1-3H3",C10H16O,152.1201151
475,Pin-2-en-4-one,1196-01-6,DTXSID9035620,92874,"(1S,5S)-4,6,6-Trimethylbicyclo[3.1.1]hept-3-en-2-one",DCSCXTJOXBUFGB-JGVFFNPUSA-N,"(1S,5S)-4,6,6-Trimethylbicyclo[3.1.1]hept-3-en-2-one",CC1=CC(=O)[C@H]2C[C@@H]1C2(C)C,"InChI=1S/C10H14O/c1-6-4-9(11)8-5-7(6)10(8,2)3/h4,7-8H,5H2,1-3H3/t7-,8+/m0/s1",C10H14O,150.1044651
476,"Benzene, (1-ethylpropyl)- (8CI)(9CI)",1196-58-3,DTXSID70152520,14527,"Benzene, (1-ethylpropyl)- (8CI)(9CI)",PBWHJRFXUPLZDS-UHFFFAOYSA-N,(Pentan-3-yl)benzene,CCC(CC)C1=CC=CC=C1,"InChI=1S/C11H16/c1-3-10(4-2)11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3",C11H16,148.1252005
477,"Quinoline, 2,4-dimethyl-",1198-37-4,DTXSID0061610,14536,"Quinoline, 2,4-dimethyl-",ZTNANFDSJRRZRJ-UHFFFAOYSA-N,"2,4-Dimethylquinoline",CC1=CC(C)=C2C=CC=CC2=N1,"InChI=1S/C11H11N/c1-8-7-9(2)12-11-6-4-3-5-10(8)11/h3-7H,1-2H3",C11H11N,157.0891494
478,Anthracene,120-12-7,DTXSID0023878,8418,Anthracene,MWPLVEDNUUSJAV-UHFFFAOYSA-N,Anthracene,C1=CC2=CC3=C(C=CC=C3)C=C2C=C1,InChI=1S/C14H10/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1/h1-10H,C14H10,178.0782503
479,"1,3-Diphenyl-1,3-propanedione",120-46-7,DTXSID3041247,8433,"1,3-Diphenyl-1,3-propanedione",NZZIMKJIVMHWJC-UHFFFAOYSA-N,"1,3-Diphenylpropane-1,3-dione",O=C(CC(=O)C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C15H12O2/c16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13/h1-10H,11H2",C15H12O2,224.0837296
480,Ethylparaben,120-47-8,DTXSID9022528,8434,Ethylparaben,NUVBSKCKDOMJSU-UHFFFAOYSA-N,Ethyl 4-hydroxybenzoate,CCOC(=O)C1=CC=C(O)C=C1,"InChI=1S/C9H10O3/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6,10H,2H2,1H3",C9H10O3,166.0629942
481,Isobutyl benzoate,120-50-3,DTXSID6047074,61048,Isobutyl benzoate,KYZHGEFMXZOSJN-UHFFFAOYSA-N,2-Methylpropyl benzoate,CC(C)COC(=O)C1=CC=CC=C1,"InChI=1S/C11H14O2/c1-9(2)8-13-11(12)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3",C11H14O2,178.0993797
482,Benzyl benzoate,120-51-4,DTXSID8029153,2345,Benzyl benzoate,SESFRYSPDFLNCH-UHFFFAOYSA-N,Benzyl benzoate,O=C(OCC1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C14H12O2/c15-14(13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12/h1-10H,11H2",C14H12O2,212.0837296
483,Diethylene glycol dibenzoate,120-55-8,DTXSID0026967,8437,Diethylene glycol dibenzoate,NXQMCAOPTPLPRL-UHFFFAOYSA-N,"Oxydi(ethane-2,1-diyl) dibenzoate",O=C(OCCOCCOC(=O)C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C18H18O5/c19-17(15-7-3-1-4-8-15)22-13-11-21-12-14-23-18(20)16-9-5-2-6-10-16/h1-10H,11-14H2",C18H18O5,314.1154237
484,Piperonal,120-57-0,DTXSID7025924,8438,Piperonal,SATCULPHIDQDRE-UHFFFAOYSA-N,"2H-1,3-Benzodioxole-5-carbaldehyde",O=CC1=CC=C2OCOC2=C1,"InChI=1S/C8H6O3/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-4H,5H2",C8H6O3,150.0316941
485,Dimethyl terephthalate,120-61-6,DTXSID0020498,8441,Dimethyl terephthalate,WOZVHXUHUFLZGK-UHFFFAOYSA-N,"Dimethyl benzene-1,4-dicarboxylate",COC(=O)C1=CC=C(C=C1)C(=O)OC,"InChI=1S/C10H10O4/c1-13-9(11)7-3-5-8(6-4-7)10(12)14-2/h3-6H,1-2H3",C10H10O4,194.0579088
486,Indole,120-72-9,DTXSID0020737,798,Indole,SIKJAQJRHWYJAI-UHFFFAOYSA-N,1H-Indole,N1C=CC2=C1C=CC=C2,"InChI=1S/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h1-6,9H",C8H7N,117.0578492
487,"2,2'-Dithiobisbenzothiazole",120-78-5,DTXSID1020146,8447,"2,2'-Dithiobisbenzothiazole",AFZSMODLJJCVPP-UHFFFAOYSA-N,"2,2'-Disulfanediylbis(1,3-benzothiazole)",S(SC1=NC2=C(S1)C=CC=C2)C1=NC2=C(S1)C=CC=C2,InChI=1S/C14H8N2S4/c1-3-7-11-9(5-1)15-13(17-11)19-20-14-16-10-6-2-4-8-12(10)18-14/h1-8H,C14H8N2S4,331.957033
488,"1,2,4-Trichlorobenzene",120-82-1,DTXSID0021965,13,"1,2,4-Trichlorobenzene",PBKONEOXTCPAFI-UHFFFAOYSA-N,"1,2,4-Trichlorobenzene",ClC1=CC(Cl)=C(Cl)C=C1,InChI=1S/C6H3Cl3/c7-4-1-2-5(8)6(9)3-4/h1-3H,C6H3Cl3,179.9300332
489,"2,4-Dichlorophenol",120-83-2,DTXSID1020439,8449,"2,4-Dichlorophenol",HFZWRUODUSTPEG-UHFFFAOYSA-N,"2,4-Dichlorophenol",OC1=C(Cl)C=C(Cl)C=C1,"InChI=1S/C6H4Cl2O/c7-4-1-2-6(9)5(8)3-4/h1-3,9H",C6H4Cl2O,161.9639201
490,Cyclopentanone,120-92-3,DTXSID3029154,8452,Cyclopentanone,BGTOWKSIORTVQH-UHFFFAOYSA-N,Cyclopentanone,O=C1CCCC1,InChI=1S/C5H8O/c6-5-3-1-2-4-5/h1-4H2,C5H8O,84.05751488
491,"(3S,16E)-5,6,9,10,11,12-Hexahydro-21-hydroxy-19-methoxy-3-methyl-1H,3H-2,8,13-benzotrioxacyclononadecin-1,7,14(4H,15H)-trione (ACI)",1200080-04-1,,44575029,"(3S,16E)-5,6,9,10,11,12-Hexahydro-21-hydroxy-19-methoxy-3-methyl-1H,3H-2,8,13-benzotrioxacyclononadecin-1,7,14(4H,15H)-trione (ACI)",MNPHBZHHZAZYKC-VFADXPBXSA-N,"(4S,17E)-23-hydroxy-21-methoxy-4-methyl-3,9,14-trioxabicyclo[17.4.0]tricosa-1(19),17,20,22-tetraene-2,8,15-trione",O=C1OC(C)CCCC(=O)OCCCCOC(=O)CC=CC=2C=C(OC)C=C(O)C12,"InChI=1S/C22H28O8/c1-15-7-5-9-19(24)28-11-3-4-12-29-20(25)10-6-8-16-13-17(27-2)14-18(23)21(16)22(26)30-15/h6,8,13-15,23H,3-5,7,9-12H2,1-2H3",C22H28O8,420.178
492,"2,8-Dimethyldibenzo[b,d]thiophene",1207-15-4,DTXSID80880786,50959,"2,8-Dimethyldibenzo[b,d]thiophene",RRYWCJRYULRSJM-UHFFFAOYSA-N,"2,8-Dimethyldibenzo[b,d]thiophene",CC1=CC=C2SC3=CC=C(C)C=C3C2=C1,"InChI=1S/C14H12S/c1-9-3-5-13-11(7-9)12-8-10(2)4-6-14(12)15-13/h3-8H,1-2H3",C14H12S,212.0659716
493,Machilol,1209-71-8,DTXSID301017639,6432005,Machilol,WMOPMQRJLLIEJV-IUODEOHRSA-N,"2-[(2R,4aR)-4a,8-Dimethyl-1,2,3,4,4a,5,6,7-octahydronaphthalen-2-yl]propan-2-ol",CC1=C2C[C@@H](CC[C@@]2(C)CCC1)C(C)(C)O,"InChI=1S/C15H26O/c1-11-6-5-8-15(4)9-7-12(10-13(11)15)14(2,3)16/h12,16H,5-10H2,1-4H3/t12-,15-/m1/s1",C15H26O,222.1983655
494,2-tert-Butyl-4-methoxyphenol,121-00-6,DTXSID7040788,8456,2-tert-Butyl-4-methoxyphenol,MRBKEAMVRSLQPH-UHFFFAOYSA-N,2-tert-Butyl-4-methoxyphenol,COC1=CC=C(O)C(=C1)C(C)(C)C,"InChI=1S/C11H16O2/c1-11(2,3)9-7-8(13-4)5-6-10(9)12/h5-7,12H,1-4H3",C11H16O2,180.1150298
495,4-Hydroxy-3-methoxybenzaldehyde,121-33-5,DTXSID0021969,1183,4-Hydroxy-3-methoxybenzaldehyde,MWOOGOJBHIARFG-UHFFFAOYSA-N,4-Hydroxy-3-methoxybenzaldehyde,COC1=C(O)C=CC(C=O)=C1,"InChI=1S/C8H8O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-5,10H,1H3",C8H8O3,152.0473441
496,Triethylamine,121-44-8,DTXSID3024366,8471,Triethylamine,ZMANZCXQSJIPKH-UHFFFAOYSA-N,"N,N-Diethylethanamine",CCN(CC)CC,"InChI=1S/C6H15N/c1-4-7(5-2)6-3/h4-6H2,1-3H3",C6H15N,101.1204495
497,"N,N-Dimethylaniline",121-69-7,DTXSID2020507,949,"N,N-Dimethylaniline",JLTDJTHDQAWBAV-UHFFFAOYSA-N,"N,N-Dimethylaniline",CN(C)C1=CC=CC=C1,"InChI=1S/C8H11N/c1-9(2)8-6-4-3-5-7-8/h3-7H,1-2H3",C8H11N,121.0891494
498,3-Hydroxyacetophenone,121-71-1,DTXSID5059533,8487,3-Hydroxyacetophenone,LUJMEECXHPYQOF-UHFFFAOYSA-N,1-(3-Hydroxyphenyl)ethan-1-one,CC(=O)C1=CC(O)=CC=C1,"InChI=1S/C8H8O2/c1-6(9)7-3-2-4-8(10)5-7/h2-5,10H,1H3",C8H8O2,136.0524295
499,1-Chloro-3-nitrobenzene,121-73-3,DTXSID4021971,8489,1-Chloro-3-nitrobenzene,KMAQZIILEGKYQZ-UHFFFAOYSA-N,1-Chloro-3-nitrobenzene,[O-][N+](=O)C1=CC=CC(Cl)=C1,InChI=1S/C6H4ClNO2/c7-5-2-1-3-6(4-5)8(9)10/h1-4H,C6H4ClNO2,156.9930561
500,2-Chloro-4-nitroaniline,121-87-9,DTXSID4021973,8492,2-Chloro-4-nitroaniline,LOCWBQIWHWIRGN-UHFFFAOYSA-N,2-Chloro-4-nitroaniline,NC1=C(Cl)C=C(C=C1)[N+]([O-])=O,"InChI=1S/C6H5ClN2O2/c7-5-3-4(9(10)11)1-2-6(5)8/h1-3H,8H2",C6H5ClN2O2,172.0039551
501,"1,3-Benzenedicarboxylic acid",121-91-5,DTXSID3021485,23461093,"1,3-Benzenedicarboxylic acid",QQVIHTHCMHWDBS-UHFFFAOYSA-N,"Benzene-1,3-dicarboxylic acid",OC(=O)C1=CC(=CC=C1)C(O)=O,"InChI=1S/C8H6O4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4H,(H,9,10)(H,11,12)",C8H6O4,166.0266087
502,(Methylcyclopentadienyl)tricarbonylmanganese,12108-13-3,DTXSID9027738,,(Methylcyclopentadienyl)tricarbonylmanganese,,"Tricarbonyl(5-methylcyclopenta-1,3-dienato-kappaC~2~)manganese",Cc1cccc1.[O]#C[Mn](C#[O])C#[O],"InChI=1S/C6H7.3CO.Mn/c1-6-4-2-3-5-6;3*1-2;/h2-5H,1H3;;;;",C9H7MnO3,217.977563
503,"2-[(2,3-Dihydro-2,2-dimethyl-7-benzofuranyl)oxy]-N-[3-[6-(4-morpholinyl)-3-pyridazinyl]phenyl]acetamide (ACI)",1211245-83-8,,45518718,"2-[(2,3-Dihydro-2,2-dimethyl-7-benzofuranyl)oxy]-N-[3-[6-(4-morpholinyl)-3-pyridazinyl]phenyl]acetamide (ACI)",UNDVROGSLBTDGD-UHFFFAOYSA-N,"2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]acetamide",O=C(NC1=CC=CC(=C1)C2=NN=C(C=C2)N3CCOCC3)COC4=CC=CC5=C4OC(C)(C)C5,"InChI=1S/C26H28N4O4/c1-26(2)16-19-6-4-8-22(25(19)34-26)33-17-24(31)27-20-7-3-5-18(15-20)21-9-10-23(29-28-21)30-11-13-32-14-12-30/h3-10,15H,11-14,16-17H2,1-2H3,(H,27,31)",C26H28N4O4,460.211
504,"N-[2-(5-Amino-1,3,4-thiadiazol-2-yl)ethyl]-3,4,5-trimethoxybenzamide (ACI)",1211493-40-1,,92659644,"N-[2-(5-Amino-1,3,4-thiadiazol-2-yl)ethyl]-3,4,5-trimethoxybenzamide (ACI)",MRVHWQHFVUHMOQ-UHFFFAOYSA-N,"N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-3,4,5-trimethoxybenzamide",O=C(NCCC1=NN=C(S1)N)C2=CC(OC)=C(OC)C(OC)=C2,"InChI=1S/C14H18N4O4S/c1-20-9-6-8(7-10(21-2)12(9)22-3)13(19)16-5-4-11-17-18-14(15)23-11/h6-7H,4-5H2,1-3H3,(H2,15,18)(H,16,19)",C14H18N4O4S,338.105
505,"3,7-Dimethyl-2-(trimethylsilyl)benzo[b]thiophene (ACI)",121254-86-2,,14343466,"3,7-Dimethyl-2-(trimethylsilyl)benzo[b]thiophene (ACI)",RNHXNLLFQSXNFF-UHFFFAOYSA-N,"(3,7-dimethyl-1-benzothiophen-2-yl)-trimethylsilane",S1C2=C(C=CC=C2C)C(=C1[Si](C)(C)C)C,"InChI=1S/C13H18SSi/c1-9-7-6-8-11-10(2)13(14-12(9)11)15(3,4)5/h6-8H,1-5H3",C13H18SSi,234.09
506,"Tin oxide (Sn2O3) (6CI, 7CI, 9CI, ACI)",12169-15-2,,88989,"Tin oxide (Sn2O3) (6CI, 7CI, 9CI, ACI)",QHGNHLZPVBIIPX-UHFFFAOYSA-N,oxotin,[O].[Sn],InChI=1S/O.Sn,OSn,135.897
507,"rel-(1R,3aR,7aR)-Hexahydro-1,4,4,7a-tetramethyl-1,3a-epoxy-3aH-inden-7(4H)-one (ACI)",121747-63-5,,540006,"rel-(1R,3aR,7aR)-Hexahydro-1,4,4,7a-tetramethyl-1,3a-epoxy-3aH-inden-7(4H)-one (ACI)",ISABMWNDKIGJCM-UHFFFAOYSA-N,"2,2,6,7-tetramethyl-10-oxatricyclo[5.2.1.01,6]decan-5-one",O=C1CCC(C)(C)C23OC(C)(CC2)C13C,"InChI=1S/C13H20O2/c1-10(2)6-5-9(14)12(4)11(3)7-8-13(10,12)15-11/h5-8H2,1-4H3",C13H20O2,208.146
508,"Chainin, 1?,14-dihydroxy- (9CI)",121784-18-7,,163056278,"Chainin, 1?,14-dihydroxy- (9CI)",MELIVMKAQSVXIP-UHFFFAOYSA-N,"4,6,8,10,12,14,15,16,27-nonahydroxy-3-(1-hydroxybutyl)-17,28-dimethyl-1-oxacyclooctacosa-17,19,21,23,25-pentaen-2-one",O=C1OC(C)C(O)C=CC=CC=CC=CC=C(C)C(O)C(O)C(O)CC(O)CC(O)CC(O)CC(O)CC(O)C1C(O)CCC,"InChI=1S/C33H54O12/c1-4-12-27(39)30-28(40)18-24(36)16-22(34)15-23(35)17-25(37)19-29(41)32(43)31(42)20(2)13-10-8-6-5-7-9-11-14-26(38)21(3)45-33(30)44/h5-11,13-14,21-32,34-43H,4,12,15-19H2,1-3H3",C33H54O12,642.362
509,Octylparaben,1219-38-1,DTXSID0047957,14642,Octylparaben,RIKCMEDSBFQFAL-UHFFFAOYSA-N,Octyl 4-hydroxybenzoate,CCCCCCCCOC(=O)C1=CC=C(O)C=C1,"InChI=1S/C15H22O3/c1-2-3-4-5-6-7-12-18-15(17)13-8-10-14(16)11-9-13/h8-11,16H,2-7,12H2,1H3",C15H22O3,250.1568946
510,Name Not Yet Assigned,1219114-17-6,,70687305,Name Not Yet Assigned,IYFATESGLOUGBX-NDUCAMMLSA-N,"[2-[(2R,3R,4S)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl] hexadecanoate",O=C(OCC(O)C1OCC(O)C1O)CCCCCCCCCCCCCCC,"InChI=1S/C22H42O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20(25)27-17-19(24)22-21(26)18(23)16-28-22/h18-19,21-24,26H,2-17H2,1H3",C22H42O6,402.298
511,p-Methylacetophenone,122-00-9,DTXSID9044374,8500,p-Methylacetophenone,GNKZMNRKLCTJAY-UHFFFAOYSA-N,1-(4-Methylphenyl)ethan-1-one,CC(=O)C1=CC=C(C)C=C1,"InChI=1S/C9H10O/c1-7-3-5-9(6-4-7)8(2)10/h3-6H,1-2H3",C9H10O,134.0731649
512,4-Isopropylbenzaldehyde,122-03-2,DTXSID9021974,326,4-Isopropylbenzaldehyde,WTWBUQJHJGUZCY-UHFFFAOYSA-N,4-(Propan-2-yl)benzaldehyde,CC(C)C1=CC=C(C=O)C=C1,"InChI=1S/C10H12O/c1-8(2)10-5-3-9(7-11)4-6-10/h3-8H,1-2H3",C10H12O,148.088815
513,Simazine,122-34-9,DTXSID4021268,5216,Simazine,ODCWYMIRDDJXKW-UHFFFAOYSA-N,"6-Chloro-N~2~,N~4~-diethyl-1,3,5-triazine-2,4-diamine",CCNC1=NC(NCC)=NC(Cl)=N1,"InChI=1S/C7H12ClN5/c1-3-9-6-11-5(8)12-7(13-6)10-4-2/h3-4H2,1-2H3,(H2,9,10,11,12,13)",C7H12ClN5,201.0781231
514,Diphenylamine,122-39-4,DTXSID4021975,11487,Diphenylamine,DMBHHRLKUKUOEG-UHFFFAOYSA-N,N-Phenylaniline,N(C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C12H11N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10,13H",C12H11N,169.0891494
515,alpha-Amyl cinnamaldehyde,122-40-7,DTXSID8029157,31209,alpha-Amyl cinnamaldehyde,HMKKIXGYKWDQSV-UHFFFAOYSA-N,2-Benzylideneheptanal,CCCCCC(C=O)=CC1=CC=CC=C1,"InChI=1S/C14H18O/c1-2-3-5-10-14(12-15)11-13-8-6-4-7-9-13/h4,6-9,11-12H,2-3,5,10H2,1H3",C14H18O,202.1357652
516,Triethyl phosphite,122-52-1,DTXSID2026991,31215,Triethyl phosphite,BDZBKCUKTQZUTL-UHFFFAOYSA-N,Triethyl phosphite,CCOP(OCC)OCC,"InChI=1S/C6H15O3P/c1-4-7-10(8-5-2)9-6-3/h4-6H2,1-3H3",C6H15O3P,166.0758813
517,Methyl styryl ketone,122-57-6,DTXSID4025662,15909,Methyl styryl ketone,BWHOZHOGCMHOBV-UHFFFAOYSA-N,4-Phenylbut-3-en-2-one,CC(=O)C=CC1=CC=CC=C1,"InChI=1S/C10H10O/c1-9(11)7-8-10-5-3-2-4-6-10/h2-8H,1H3",C10H10O,146.0731649
518,Bis(2-ethylhexyl) decanedioate,122-62-3,DTXSID7025055,31218,Bis(2-ethylhexyl) decanedioate,VJHINFRRDQUWOJ-UHFFFAOYSA-N,Bis(2-ethylhexyl) decanedioate,CCCCC(CC)COC(=O)CCCCCCCCC(=O)OCC(CC)CCCC,"InChI=1S/C26H50O4/c1-5-9-17-23(7-3)21-29-25(27)19-15-13-11-12-14-16-20-26(28)30-22-24(8-4)18-10-6-2/h23-24H,5-22H2,1-4H3",C26H50O4,426.3709101
519,Phenylacetaldehyde,122-78-1,DTXSID3021483,998,Phenylacetaldehyde,DTUQWGWMVIHBKE-UHFFFAOYSA-N,Phenylacetaldehyde,O=CCC1=CC=CC=C1,"InChI=1S/C8H8O/c9-7-6-8-4-2-1-3-5-8/h1-5,7H,6H2",C8H8O,120.0575149
520,"2-Propanone, 1-(4-methoxyphenyl)-",122-84-9,DTXSID9059545,31231,1-(4-Methoxyphenyl)-2-propanone,WFWKNGZODAOLEO-UHFFFAOYSA-N,1-(4-Methoxyphenyl)propan-2-one,COC1=CC=C(CC(C)=O)C=C1,"InChI=1S/C10H12O2/c1-8(11)7-9-3-5-10(12-2)6-4-9/h3-6H,7H2,1-2H3",C10H12O2,164.0837296
521,2-Phenoxyethanol,122-99-6,DTXSID9021976,31236,2-Phenoxyethanol,QCDWFXQBSFUVSP-UHFFFAOYSA-N,2-Phenoxyethan-1-ol,OCCOC1=CC=CC=C1,"InChI=1S/C8H10O2/c9-6-7-10-8-4-2-1-3-5-8/h1-5,9H,6-7H2",C8H10O2,138.0680796
522,"1,3,4,6,7,8-Hexahydro-4,6,6,7,8,8-hexamethylcyclopenta[g]-2-benzopyran",1222-05-5,DTXSID8027373,91497,"1,3,4,6,7,8-Hexahydro-4,6,6,7,8,8-hexamethylcyclopenta[g]-2-benzopyran",ONKNPOPIGWHAQC-UHFFFAOYSA-N,"4,6,6,7,8,8-Hexamethyl-1,3,4,6,7,8-hexahydroindeno[5,6-c]pyran",CC1C(C)(C)C2=CC3=C(C=C2C1(C)C)C(C)COC3,"InChI=1S/C18H26O/c1-11-9-19-10-13-7-15-16(8-14(11)13)18(5,6)12(2)17(15,3)4/h7-8,11-12H,9-10H2,1-6H3",C18H26O,258.1983655
523,Name Not Yet Assigned,1224608-15-4,,44351337,Name Not Yet Assigned,YOJYPLAUIWZLNP-NRLOGRAZSA-N,"(11S,14R,17S,20R,23R)-14-(2-amino-2-oxoethyl)-20-benzyl-23-[(4-ethoxyphenyl)methyl]-13,16,19,22,25-pentaoxo-17-propan-2-yl-7,9-dithia-12,15,18,21,24-pentazaspiro[5.20]hexacosane-11-carboxylic acid",O=C(O)C1NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CC2(SCSC1)CCCCC2)CC3=CC=C(OCC)C=C3)CC=4C=CC=CC4)C(C)C)CC(=O)N,"InChI=1S/C41H56N6O9S2/c1-4-56-28-15-13-27(14-16-28)20-29-36(50)44-30(19-26-11-7-5-8-12-26)38(52)47-35(25(2)3)39(53)45-31(21-33(42)48)37(51)46-32(40(54)55)23-57-24-58-41(22-34(49)43-29)17-9-6-10-18-41/h5,7-8,11-16,25,29-32,35H,4,6,9-10,17-24H2,1-3H3,(H2,42,48)(H,43,49)(H,44,50)(H,45,53)(H,46,51)(H,47,52)(H,54,55)",C41H56N6O9S2,840.355
524,"Oxirane, [(dodecyloxy)methyl]-, (+)- (9CI)",122608-93-9,,,"Oxirane, [(dodecyloxy)methyl]-, (+)- (9CI)",VMSIYTPWZLSMOH-UHFFFAOYNA-N,,O(CCCCCCCCCCCC)CC1OC1,"InChI=1S/C15H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-16-13-15-14-17-15/h15H,2-14H2,1H3",,
525,"3-Hydroxy-4,5-dimethoxyphenyl 6-O-(6-deoxy-?-L-mannopyranosyl)-?-D-glucopyranoside (ACI)",1227162-62-0,,46834836,"3-Hydroxy-4,5-dimethoxyphenyl 6-O-(6-deoxy-?-L-mannopyranosyl)-?-D-glucopyranoside (ACI)",OQANFGSTRGXSMB-PGFQBMMCSA-N,"(2S,3R,4R,5R,6R)-2-methyl-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(3-hydroxy-4,5-dimethoxyphenoxy)oxan-2-yl]methoxy]oxane-3,4,5-triol",OC=1C=C(OC2OC(COC3OC(C)C(O)C(O)C3O)C(O)C(O)C2O)C=C(OC)C1OC,"InChI=1S/C20H30O13/c1-7-12(22)14(24)16(26)19(31-7)30-6-11-13(23)15(25)17(27)20(33-11)32-8-4-9(21)18(29-3)10(5-8)28-2/h4-5,7,11-17,19-27H,6H2,1-3H3",C20H30O13,478.169
526,"2-Fluoro-3,4-diiodo-6-(pyrrolidin-1-yl)pyridine",1228665-88-0,DTXSID20673614,46318169,"2-Fluoro-3,4-diiodo-6-(pyrrolidin-1-yl)pyridine",YEFDZAFDZLXQMO-UHFFFAOYSA-N,"2-Fluoro-3,4-diiodo-6-(pyrrolidin-1-yl)pyridine",FC1=C(I)C(I)=CC(=N1)N1CCCC1,"InChI=1S/C9H9FI2N2/c10-9-8(12)6(11)5-7(13-9)14-3-1-2-4-14/h5H,1-4H2",C9H9FI2N2,417.88392
527,"?-D-Glucopyranose, 1,6-anhydro-4-O-[2,3,4,6-tetra-O-acetyl-5-C-[(acetyloxy)methyl]-1-deoxy-D-muco-inositol-1-yl]-, 2,3-diacetate (9CI)",122901-42-2,,,"?-D-Glucopyranose, 1,6-anhydro-4-O-[2,3,4,6-tetra-O-acetyl-5-C-[(acetyloxy)methyl]-1-deoxy-D-muco-inositol-1-yl]-, 2,3-diacetate (9CI)",WGNXGGBLUGHOKE-UHFFFAOYSA-N,,O=C(OCC1(O)C(OC(=O)C)C(OC(=O)C)C(OC(=O)C)C(OC2C3OC(OC3)C(OC(=O)C)C2OC(=O)C)C1OC(=O)C)C,"InChI=1S/C27H36O18/c1-10(28)37-9-27(35)24(42-15(6)33)21(40-13(4)31)20(39-12(3)30)22(25(27)43-16(7)34)45-18-17-8-36-26(44-17)23(41-14(5)32)19(18)38-11(2)29/h17-26,35H,8-9H2,1-7H3",,
528,"?-D-Glucopyranose, 4-O-[2,3,4,5,6-penta-O-acetyl-5-C-[(acetyloxy)methyl]-1-deoxy-D-muco-inositol-1-yl]-, tetraacetate (9CI)",122901-43-3,,,"?-D-Glucopyranose, 4-O-[2,3,4,5,6-penta-O-acetyl-5-C-[(acetyloxy)methyl]-1-deoxy-D-muco-inositol-1-yl]-, tetraacetate (9CI)",PCWGTDHXMLQLRL-UHFFFAOYSA-N,,O=C(OCC1OC(OC(=O)C)C(OC(=O)C)C(OC(=O)C)C1OC2C(OC(=O)C)C(OC(=O)C)C(OC(=O)C)C(OC(=O)C)(COC(=O)C)C2OC(=O)C)C,"InChI=1S/C33H44O22/c1-13(34)44-11-23-24(25(46-15(3)36)29(49-18(6)39)32(53-23)52-21(9)42)54-28-26(47-16(4)37)27(48-17(5)38)30(50-19(7)40)33(55-22(10)43,12-45-14(2)35)31(28)51-20(8)41/h23-32H,11-12H2,1-10H3",,
529,3-(Chloromethyl)-heptane,123-04-6,DTXSID40861758,31240,3-(Chloromethyl)-heptane,WLVCBAMXYMWGLJ-UHFFFAOYSA-N,3-(Chloromethyl)heptane,CCCCC(CC)CCl,"InChI=1S/C8H17Cl/c1-3-5-6-8(4-2)7-9/h8H,3-7H2,1-2H3",C8H17Cl,148.1018782
530,2-Ethylhexaldehyde,123-05-7,DTXSID9025291,31241,2-Ethylhexaldehyde,LGYNIFWIKSEESD-UHFFFAOYSA-N,2-Ethylhexanal,CCCCC(CC)C=O,"InChI=1S/C8H16O/c1-3-5-6-8(4-2)7-9/h7-8H,3-6H2,1-2H3",C8H16O,128.1201151
531,4-Ethylphenol,123-07-9,DTXSID4021977,31242,4-Ethylphenol,HXDOZKJGKXYMEW-UHFFFAOYSA-N,4-Ethylphenol,CCC1=CC=C(O)C=C1,"InChI=1S/C8H10O/c1-2-7-3-5-8(9)6-4-7/h3-6,9H,2H2,1H3",C8H10O,122.0731649
532,4-Methoxybenzaldehyde,123-11-5,DTXSID2026997,31244,4-Methoxybenzaldehyde,ZRSNZINYAWTAHE-UHFFFAOYSA-N,4-Methoxybenzaldehyde,COC1=CC=C(C=O)C=C1,"InChI=1S/C8H8O2/c1-10-8-4-2-7(6-9)3-5-8/h2-6H,1H3",C8H8O2,136.0524295
533,Diethyl butanedioate,123-25-1,DTXSID2038732,31249,Diethyl butanedioate,DKMROQRQHGEIOW-UHFFFAOYSA-N,Diethyl butanedioate,CCOC(=O)CCC(=O)OCC,"InChI=1S/C8H14O4/c1-3-11-7(9)5-6-8(10)12-4-2/h3-6H2,1-2H3",C8H14O4,174.0892089
534,"N,N'-Ethylenebis(12-hydroxyoctadecanamide)",123-26-2,DTXSID6036205,61058,"N,N′-1,2-Ethanediylbis[12-hydroxyoctadecanamide]",YLWQQYRYYZPZLJ-UHFFFAOYSA-N,"N,N'-(Ethane-1,2-diyl)bis(12-hydroxyoctadecanamide)",CCCCCCC(O)CCCCCCCCCCC(=O)NCCNC(=O)CCCCCCCCCCC(O)CCCCCC,"InChI=1S/C38H76N2O4/c1-3-5-7-21-27-35(41)29-23-17-13-9-11-15-19-25-31-37(43)39-33-34-40-38(44)32-26-20-16-12-10-14-18-24-30-36(42)28-22-8-6-4-2/h35-36,41-42H,3-34H2,1-2H3,(H,39,43)(H,40,44)",C38H76N2O4,624.5805089
535,"Propanoic acid, 3,3'-thiobis-, didodecyl ester",123-28-4,DTXSID2026999,31250,"Didodecyl 3,3'-sulfanediyldipropanoate",GHKOFFNLGXMVNJ-UHFFFAOYSA-N,"Didodecyl 3,3'-sulfanediyldipropanoate",CCCCCCCCCCCCOC(=O)CCSCCC(=O)OCCCCCCCCCCCC,"InChI=1S/C30H58O4S/c1-3-5-7-9-11-13-15-17-19-21-25-33-29(31)23-27-35-28-24-30(32)34-26-22-20-18-16-14-12-10-8-6-4-2/h3-28H2,1-2H3",C30H58O4S,514.4055815
536,Myrcene,123-35-3,DTXSID6025692,31253,Myrcene,UAHWPYUMFXYFJY-UHFFFAOYSA-N,"7-Methyl-3-methylideneocta-1,6-diene",CC(C)=CCCC(=C)C=C,"InChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,7H,1,4,6,8H2,2-3H3",C10H16,136.1252005
537,Propanal,123-38-6,DTXSID2021658,527,Propanal,NBBJYMSMWIIQGU-UHFFFAOYSA-N,Propanal,CCC=O,"InChI=1S/C3H6O/c1-2-3-4/h3H,2H2,1H3",C3H6O,58.04186481
538,Diacetone alcohol,123-42-2,DTXSID6024917,31256,Diacetone alcohol,SWXVUIWOUIDPGS-UHFFFAOYSA-N,4-Hydroxy-4-methylpentan-2-one,CC(=O)CC(C)(C)O,"InChI=1S/C6H12O2/c1-5(7)4-6(2,3)8/h8H,4H2,1-3H3",C6H12O2,116.0837296
539,Succinimide,123-56-8,DTXSID8051629,11439,Succinimide,KZNICNPSHKQLFF-UHFFFAOYSA-N,"Pyrrolidine-2,5-dione",O=C1CCC(=O)N1,"InChI=1S/C4H5NO2/c6-3-1-2-4(7)5-3/h1-2H2,(H,5,6,7)",C4H5NO2,99.03202841
540,Paraldehyde,123-63-7,DTXSID9023419,31264,Paraldehyde,SQYNKIJPMDEDEG-UHFFFAOYSA-N,"2,4,6-Trimethyl-1,3,5-trioxane",CC1OC(C)OC(C)O1,"InChI=1S/C6H12O3/c1-4-7-5(2)9-6(3)8-4/h4-6H,1-3H3",C6H12O3,132.0786442
541,Ethyl hexanoate,123-66-0,DTXSID3021980,31265,Ethyl hexanoate,SHZIWNPUGXLXDT-UHFFFAOYSA-N,Ethyl hexanoate,CCCCCC(=O)OCC,"InChI=1S/C8H16O2/c1-3-5-6-7-8(9)10-4-2/h3-7H2,1-2H3",C8H16O2,144.1150298
542,Allyl hexanoate,123-68-2,DTXSID1047653,31266,Allyl hexanoate,RCSBILYQLVXLJG-UHFFFAOYSA-N,Prop-2-en-1-yl hexanoate,CCCCCC(=O)OCC=C,"InChI=1S/C9H16O2/c1-3-5-6-7-9(10)11-8-4-2/h4H,2-3,5-8H2,1H3",C9H16O2,156.1150298
543,"3,3'-Methyliminobis(N-methylpropylamine)",123-70-6,DTXSID8059558,67161,"3,3'-Methyliminobis(N-methylpropylamine)",PQYGBJHVVYREGU-UHFFFAOYSA-N,"N~1~,N~3~-Dimethyl-N~1~-[3-(methylamino)propyl]propane-1,3-diamine",CNCCCN(C)CCCNC,"InChI=1S/C9H23N3/c1-10-6-4-8-12(3)9-5-7-11-2/h10-11H,4-9H2,1-3H3",C9H23N3,173.1891978
544,Butyraldehyde,123-72-8,DTXSID8021513,261,Butyraldehyde,ZTQSAGDEMFDKMZ-UHFFFAOYSA-N,Butanal,CCCC=O,"InChI=1S/C4H8O/c1-2-3-4-5/h4H,2-3H2,1H3",C4H8O,72.05751488
545,Pyrrolidine,123-75-1,DTXSID3059559,31268,Pyrrolidine,RWRDLPDLKQPQOW-UHFFFAOYSA-N,Pyrrolidine,C1CCNC1,"InChI=1S/C4H9N/c1-2-4-5-3-1/h5H,1-4H2",C4H9N,71.07349929
546,Dioctyl hexanedioate,123-79-5,DTXSID2021606,31271,Dioctyl hexanedioate,NEHDRDVHPTWWFG-UHFFFAOYSA-N,Dioctyl hexanedioate,CCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCC,"InChI=1S/C22H42O4/c1-3-5-7-9-11-15-19-25-21(23)17-13-14-18-22(24)26-20-16-12-10-8-6-4-2/h3-20H2,1-2H3",C22H42O4,370.3083098
547,Butyl acetate,123-86-4,DTXSID3021982,31272,Butyl acetate,DKPFZGUDAPQIHT-UHFFFAOYSA-N,Butyl acetate,CCCCOC(C)=O,"InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3",C6H12O2,116.0837296
548,"1,4-Dioxane",123-91-1,DTXSID4020533,31275,"1,4-Dioxane",RYHBNJHYFVUHQT-UHFFFAOYSA-N,"1,4-Dioxane",C1COCCO1,InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2,C4H8O2,88.0524295
549,3-Methylbutyl acetate,123-92-2,DTXSID9025453,31276,3-Methylbutyl acetate,MLFHJEHSLIIPHL-UHFFFAOYSA-N,3-Methylbutyl acetate,CC(C)CCOC(C)=O,"InChI=1S/C7H14O2/c1-6(2)4-5-9-7(3)8/h6H,4-5H2,1-3H3",C7H14O2,130.0993797
550,Glycerol 1-monostearate,123-94-4,DTXSID7029160,24699,Glycerol 1-monostearate,VBICKXHEKHSIBG-UHFFFAOYSA-N,"2,3-Dihydroxypropyl octadecanoate",CCCCCCCCCCCCCCCCCC(=O)OCC(O)CO,"InChI=1S/C21H42O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h20,22-23H,2-19H2,1H3",C21H42O4,358.3083098
551,Butyl octadecanoate,123-95-5,DTXSID5027013,31278,Butyl octadecanoate,ULBTUVJTXULMLP-UHFFFAOYSA-N,Butyl octadecanoate,CCCCCCCCCCCCCCCCCC(=O)OCCCC,"InChI=1S/C22H44O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(23)24-21-6-4-2/h3-21H2,1-2H3",C22H44O2,340.3341307
552,Nonanedioic acid,123-99-9,DTXSID8021640,2266,Nonanedioic acid,BDJRBEYXGGNYIS-UHFFFAOYSA-N,Nonanedioic acid,OC(=O)CCCCCCCC(O)=O,"InChI=1S/C9H16O4/c10-8(11)6-4-2-1-3-5-7-9(12)13/h1-7H2,(H,10,11)(H,12,13)",C9H16O4,188.104859
553,"(1S,2S,4R)-rel-1,2-Dibromo-4-[(1R)-1,2-dibromoethyl]cyclohexane",1232836-49-5,DTXSID301339065,,"(1S,2S,4R)-rel-1,2-Dibromo-4-[(1R)-1,2-dibromoethyl]cyclohexane",PQRRSJBLKOPVJV-XYTNFWJVNA-N,,BrC[C@H](Br)[C@@H]1CC[C@H](Br)[C@@H](Br)C1,"InChI=1S/C8H12Br4/c9-4-8(12)5-1-2-6(10)7(11)3-5/h5-8H,1-4H2/t5-,6+,7+,8+/m1/s1",C8H12Br4,423.767252
554,methyl dehydroabietate,1235-74-1,DTXSID10880714,247581,methyl dehydroabietate,PGZCJOPTDHWYES-UHFFFAOYSA-N,"Methyl abieta-8,11,13-trien-18-oate",COC(=O)C1(C)CCCC2(C)C1CCC1=C2C=CC(=C1)C(C)C,"InChI=1S/C21H30O2/c1-14(2)15-7-9-17-16(13-15)8-10-18-20(17,3)11-6-12-21(18,4)19(22)23-5/h7,9,13-14,18H,6,8,10-12H2,1-5H3",C21H30O2,314.2245802
555,(11Z)-16-[[(Ethylmethylamino)carbonyl]methylamino]-11-hexadecenoic acid (ACI),1235543-20-0,,46853116,(11Z)-16-[[(Ethylmethylamino)carbonyl]methylamino]-11-hexadecenoic acid (ACI),FUUQWPOIQFLTSB-LUAWRHEFSA-N,(Z)-16-[[ethyl(methyl)carbamoyl]-methylamino]hexadec-11-enoic acid,O=C(O)CCCCCCCCCC=CCCCCN(C(=O)N(C)CC)C,"InChI=1S/C21H40N2O3/c1-4-22(2)21(26)23(3)19-17-15-13-11-9-7-5-6-8-10-12-14-16-18-20(24)25/h9,11H,4-8,10,12-19H2,1-3H3,(H,24,25)",C21H40N2O3,368.304
556,2-Pentadecylimidazoline,12379-47-4,DTXSID70894832,14029873,2-Pentadecylimidazoline,BNSJFMWHZVTWGB-UHFFFAOYSA-N,"2-Pentadecyl-2,3-dihydro-1H-imidazole",CCCCCCCCCCCCCCCC1NC=CN1,"InChI=1S/C18H36N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-19-16-17-20-18/h16-20H,2-15H2,1H3",C18H36N2,280.2878492
557,Hexanedioic acid,124-04-9,DTXSID7021605,196,Hexanedioic acid,WNLRTRBMVRJNCN-UHFFFAOYSA-N,Hexanedioic acid,OC(=O)CCCCC(O)=O,"InChI=1S/C6H10O4/c7-5(8)3-1-2-4-6(9)10/h1-4H2,(H,7,8)(H,9,10)",C6H10O4,146.0579088
558,Ethyl tetradecanoate,124-06-1,DTXSID6047654,31283,Ethyl tetradecanoate,MMKRHZKQPFCLLS-UHFFFAOYSA-N,Ethyl tetradecanoate,CCCCCCCCCCCCCC(=O)OCC,"InChI=1S/C16H32O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16(17)18-4-2/h3-15H2,1-2H3",C16H32O2,256.2402303
559,Octanoic acid,124-07-2,DTXSID3021645,379,Octanoic acid,WWZKQHOCKIZLMA-UHFFFAOYSA-N,Octanoic acid,CCCCCCCC(O)=O,"InChI=1S/C8H16O2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H,9,10)",C8H16O2,144.1150298
560,Methyl tetradecanoate,124-10-7,DTXSID5027019,31284,Methyl tetradecanoate,ZAZKJZBWRNNLDS-UHFFFAOYSA-N,Methyl tetradecanoate,CCCCCCCCCCCCCC(=O)OC,"InChI=1S/C15H30O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17-2/h3-14H2,1-2H3",C15H30O2,242.2245802
561,Octanal,124-13-0,DTXSID3021643,454,Octanal,NUJGJRNETVAIRJ-UHFFFAOYSA-N,Octanal,CCCCCCCC=O,"InChI=1S/C8H16O/c1-2-3-4-5-6-7-8-9/h8H,2-7H2,1H3",C8H16O,128.1201151
562,2-(2-Butoxyethoxy)ethyl acetate,124-17-4,DTXSID9027021,31288,Diethylene glycol monobutyl ether acetate,VXQBJTKSVGFQOL-UHFFFAOYSA-N,2-(2-Butoxyethoxy)ethyl acetate,CCCCOCCOCCOC(C)=O,"InChI=1S/C10H20O4/c1-3-4-5-12-6-7-13-8-9-14-10(2)11/h3-9H2,1-2H3",C10H20O4,204.1361591
563,Decane,124-18-5,DTXSID6024913,15600,Decane,DIOQZVSQGTUSAI-UHFFFAOYSA-N,Decane,CCCCCCCCCC,"InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3",C10H22,142.1721507
564,Nonanal,124-19-6,DTXSID9021639,31289,Nonanal,GYHFUZHODSMOHU-UHFFFAOYSA-N,Nonanal,CCCCCCCCC=O,"InChI=1S/C9H18O/c1-2-3-4-5-6-7-8-9-10/h9H,2-8H2,1H3",C9H18O,142.1357652
565,Octadecanamide,124-26-5,DTXSID9027025,31292,Octadecanamide,LYRFLYHAGKPMFH-UHFFFAOYSA-N,Octadecanamide,CCCCCCCCCCCCCCCCCC(N)=O,"InChI=1S/C18H37NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H2,19,20)",C18H37NO,283.2875148
566,1-Octadecanamine,124-30-1,DTXSID1025801,15793,1-Octadecanamine,REYJJPSVUYRZGE-UHFFFAOYSA-N,Octadecan-1-amine,CCCCCCCCCCCCCCCCCCN,"InChI=1S/C18H39N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h2-19H2,1H3",C18H39N,269.3082503
567,Carbon dioxide,124-38-9,DTXSID4027028,280,Carbon dioxide,CURLTUGMZLYLDI-UHFFFAOYSA-N,Methanedione,O=C=O,InChI=1S/CO2/c2-1-3,CO2,43.98982924
568,Chlorodibromomethane,124-48-1,DTXSID1020300,31296,Chlorodibromomethane,GATVIKZLVQHOMN-UHFFFAOYSA-N,Dibromo(chloro)methane,ClC(Br)Br,InChI=1S/CHBr2Cl/c2-1(3)4/h1H,CHBr2Cl,205.813354
569,Isoborneol,124-76-5,DTXSID2042060,6321405,Isoborneol,DTGKSKDOIYIVQL-MRTMQBJTSA-N,"(1R,2R,4R)-1,7,7-Trimethylbicyclo[2.2.1]heptan-2-ol",CC1(C)[C@@H]2CC[C@@]1(C)[C@H](O)C2,"InChI=1S/C10H18O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7-8,11H,4-6H2,1-3H3/t7-,8-,10+/m1/s1",C10H18O,154.1357652
570,Picrotoxin,124-87-8,DTXSID7045605,6473767,Picrotoxin,VJKUPQSHOVKBCO-AHMKVGDJSA-N,,[H][C@@]12C[C@@]3(O)[C@@H]4[C@@H]([C@@H](OC4=O)[C@@]4([H])OC(=O)[C@]1(O2)[C@@]34C)C(C)=C.[H][C@@]12C[C@@]3(O)[C@@H]4[C@@H]([C@@H](OC4=O)[C@@]4([H])OC(=O)[C@]1(O2)[C@@]34C)C(C)(C)O,"InChI=1S/C15H18O7.C15H16O6/c1-12(2,18)6-7-10(16)20-8(6)9-13(3)14(7,19)4-5-15(13,22-5)11(17)21-9;1-5(2)7-8-11(16)19-9(7)10-13(3)14(8,18)4-6-15(13,21-6)12(17)20-10/h5-9,18-19H,4H2,1-3H3;6-10,18H,1,4H2,2-3H3/t5-,6+,7-,8-,9-,13-,14-,15+;6-,7+,8-,9-,10-,13-,14-,15+/m11/s1",C30H34O13,602.1999412
571,2-Ethylhexyl diphenyl phosphate,1241-94-7,DTXSID1025300,14716,2-Ethylhexyl diphenyl phosphate,CGSLYBDCEGBZCG-UHFFFAOYSA-N,2-Ethylhexyl diphenyl phosphate,CCCCC(CC)COP(=O)(OC1=CC=CC=C1)OC1=CC=CC=C1,"InChI=1S/C20H27O4P/c1-3-5-12-18(4-2)17-22-25(21,23-19-13-8-6-9-14-19)24-20-15-10-7-11-16-20/h6-11,13-16,18H,3-5,12,17H2,1-2H3",C20H27O4P,362.1646963
572,"2-Pentadecanol, 2-acetate (ACI)",124918-67-8,,536312,"2-Pentadecanol, 2-acetate (ACI)",NITLDLCANURXDJ-UHFFFAOYSA-N,pentadecan-2-yl acetate,O=C(OC(C)CCCCCCCCCCCCC)C,"InChI=1S/C17H34O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16(2)19-17(3)18/h16H,4-15H2,1-3H3",C17H34O2,270.256
573,Isobornyl acetate,125-12-2,DTXSID7042061,,Isobornyl acetate,KGEKLUUHTZCSIP-RZOQWEAYNA-N,"(1S,2S,4S)-1,7,7-Trimethylbicyclo[2.2.1]heptan-2-yl acetate",CC(=O)O[C@H]1C[C@@H]2CC[C@@]1(C)C2(C)C,"InChI=1S/C12H20O2/c1-8(13)14-10-7-9-5-6-12(10,4)11(9,2)3/h9-10H,5-7H2,1-4H3/t9-,10-,12+/m0/s1",C12H20O2,196.1463299
574,"?-D-Mannopyranose, O-2-O-acetyl-6-deoxy-?-L-talopyranosyl-(1?3)-O-[O-4-O-acetyl-?-D-mannopyranosyl-(1?3)-2-(acetylamino)-2-deoxy-?-D-galactopyranosyl-(1?4)]- (9CI)",125118-71-0,,,"?-D-Mannopyranose, O-2-O-acetyl-6-deoxy-?-L-talopyranosyl-(1?3)-O-[O-4-O-acetyl-?-D-mannopyranosyl-(1?3)-2-(acetylamino)-2-deoxy-?-D-galactopyranosyl-(1?4)]- (9CI)",IUXIXKLUEOXJRG-UHFFFAOYSA-N,,O=C(OC1C(O)C(O)C(OC1OC2C(O)C(O)OC(CO)C2OC3OC(CO)C(O)C(OC4OC(CO)C(OC(=O)C)C(O)C4O)C3NC(=O)C)C)C,"InChI=1S/C30H49NO22/c1-8-16(38)18(40)26(47-11(4)37)30(45-8)53-25-21(43)27(44)48-14(7-34)23(25)51-28-15(31-9(2)35)24(17(39)12(5-32)49-28)52-29-20(42)19(41)22(46-10(3)36)13(6-33)50-29/h8,12-30,32-34,38-44H,5-7H2,1-4H3,(H,31,35)",,
575,"1-Methyl-N-[(2S,8R,9S)-3,4,5,6,9,10,11,12-octahydro-11-[(1S)-2-hydroxy-1-methylethyl]-2,9-dimethyl-8-[[methyl[[[4-(trifluoromethyl)phenyl]amino]carbonyl]amino]methyl]-12-oxo-2H,8H-1,7,11-benzodioxaazacyclotetradecin-14-yl]-1H-imidazole-4-sulfonamide (ACI)",1255361-51-3,,54615454,"1-Methyl-N-[(2S,8R,9S)-3,4,5,6,9,10,11,12-octahydro-11-[(1S)-2-hydroxy-1-methylethyl]-2,9-dimethyl-8-[[methyl[[[4-(trifluoromethyl)phenyl]amino]carbonyl]amino]methyl]-12-oxo-2H,8H-1,7,11-benzodioxaazacyclotetradecin-14-yl]-1H-imidazole-4-sulfonamide (ACI)",DKIVYPZVYUOSIP-CQUCHYGKSA-N,"1-[[(3S,9R,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-16-[(1-methylimidazol-4-yl)sulfonylamino]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]urea",O=C(NC1=CC=C(C=C1)C(F)(F)F)N(C)CC2OCCCCC(OC3=CC=C(C=C3C(=O)N(CC2C)C(C)CO)NS(=O)(=O)C=4N=CN(C4)C)C,"InChI=1S/C34H45F3N6O7S/c1-22-17-43(23(2)20-44)32(45)28-16-27(40-51(47,48)31-19-41(4)21-38-31)13-14-29(28)50-24(3)8-6-7-15-49-30(22)18-42(5)33(46)39-26-11-9-25(10-12-26)34(35,36)37/h9-14,16,19,21-24,30,40,44H,6-8,15,17-18,20H2,1-5H3,(H,39,46)",C34H45F3N6O7S,738.302
576,Sucrose octaacetate,126-14-7,DTXSID3042423,31340,Sucrose octaacetate,ZIJKGAXBCRWEOL-SAXBRCJISA-N,"1,3,4,6-Tetra-O-acetyl-beta-D-fructofuranosyl 2,3,4,6-tetra-O-acetyl-alpha-D-glucopyranoside",[H][C@]1(O[C@]2(COC(C)=O)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O,"InChI=1S/C28H38O19/c1-12(29)37-9-20-22(40-15(4)32)24(42-17(6)34)25(43-18(7)35)27(45-20)47-28(11-39-14(3)31)26(44-19(8)36)23(41-16(5)33)21(46-28)10-38-13(2)30/h20-27H,9-11H2,1-8H3/t20-,21-,22-,23-,24+,25-,26+,27-,28+/m1/s1",C28H38O19,678.200729
577,"2,2-Dimethylpropane-1,3-diol",126-30-7,DTXSID8027036,31344,"2,2-Dimethylpropane-1,3-diol",SLCVBVWXLSEKPL-UHFFFAOYSA-N,"2,2-Dimethylpropane-1,3-diol",CC(C)(CO)CO,"InChI=1S/C5H12O2/c1-5(2,3-6)4-7/h6-7H,3-4H2,1-2H3",C5H12O2,104.0837296
578,Triisobutyl phosphate,126-71-6,DTXSID8040698,31355,Triisobutyl phosphate,HRKAMJBPFPHCSD-UHFFFAOYSA-N,Tris(2-methylpropyl) phosphate,CC(C)COP(=O)(OCC(C)C)OCC(C)C,"InChI=1S/C12H27O4P/c1-10(2)7-14-17(13,15-8-11(3)4)16-9-12(5)6/h10-12H,7-9H2,1-6H3",C12H27O4P,266.1646963
579,"Tris(2,3-dibromopropyl) phosphate",126-72-7,DTXSID5021413,31356,"Tris(2,3-dibromopropyl) phosphate",PQYJRMFWJJONBO-UHFFFAOYSA-N,"Tris(2,3-dibromopropyl) phosphate",BrCC(Br)COP(=O)(OCC(Br)CBr)OCC(Br)CBr,"InChI=1S/C9H15Br6O4P/c10-1-7(13)4-17-20(16,18-5-8(14)2-11)19-6-9(15)3-12/h7-9H,1-6H2",C9H15Br6O4P,691.580824
580,Tributyl phosphate,126-73-8,DTXSID3021986,31357,Tributyl phosphate,STCOOQWBFONSKY-UHFFFAOYSA-N,Tributyl phosphate,CCCCOP(=O)(OCCCC)OCCCC,"InChI=1S/C12H27O4P/c1-4-7-10-14-17(13,15-11-8-5-2)16-12-9-6-3/h4-12H2,1-3H3",C12H27O4P,266.1646963
581,"2,4,7,9-Tetramethyl-5-decyne-4,7-diol",126-86-3,DTXSID7027041,31362,"2,4,7,9-Tetramethyl-5-decyne-4,7-diol",LXOFYPKXCSULTL-UHFFFAOYSA-N,"2,4,7,9-Tetramethyldec-5-yne-4,7-diol",CC(C)CC(C)(O)C#CC(C)(O)CC(C)C,"InChI=1S/C14H26O2/c1-11(2)9-13(5,15)7-8-14(6,16)10-12(3)4/h11-12,15-16H,9-10H2,1-6H3",C14H26O2,226.1932801
582,Chloroprene,126-99-8,DTXSID5020316,31369,Chloroprene,YACLQRRMGMJLJV-UHFFFAOYSA-N,"2-Chlorobuta-1,3-diene",ClC(=C)C=C,"InChI=1S/C4H5Cl/c1-3-4(2)5/h3H,1-2H2",C4H5Cl,88.0079779
583,Atractyloside I,126054-85-1,,10929902,Atractyloside I,XMFJYFXSIKDRHJ-OJGKPVIHSA-N,"(4aR,6R,8aS)-4,8a-dimethyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]-1,4a,5,6,7,8-hexahydronaphthalen-2-one",O=C1C(OC2OC(CO)C(O)C(O)C2O)=C(C)C3CC(CCC3(C)C1)C(OC4OC(CO)C(O)C(O)C4O)(C)C,"InChI=1S/C27H44O13/c1-11-13-7-12(26(2,3)40-25-22(36)20(34)18(32)16(10-29)38-25)5-6-27(13,4)8-14(30)23(11)39-24-21(35)19(33)17(31)15(9-28)37-24/h12-13,15-22,24-25,28-29,31-36H,5-10H2,1-4H3",C27H44O13,576.278
584,"2-Methyl-2-[2-(2,6,6-trimethyl-3-methylene-1-cyclohexen-1-yl)ethenyl]-1,3-dioxolane (ACI)",1265328-22-0,,,"2-Methyl-2-[2-(2,6,6-trimethyl-3-methylene-1-cyclohexen-1-yl)ethenyl]-1,3-dioxolane (ACI)",HJCONJPTRBGRCR-UHFFFAOYSA-N,,O1CCOC1(C=CC2=C(C(=C)CCC2(C)C)C)C,"InChI=1S/C16H24O2/c1-12-6-8-15(3,4)14(13(12)2)7-9-16(5)17-10-11-18-16/h7,9H,1,6,8,10-11H2,2-5H3",,
585,"Cyclopentane, 1,1'-(dimethoxysilylene)bis-",126990-35-0,DTXSID80888929,9794573,"Cyclopentane, 1,1'-(dimethoxysilylene)bis-",JWCYDYZLEAQGJJ-UHFFFAOYSA-N,Dicyclopentyl(dimethoxy)silane,CO[Si](OC)(C1CCCC1)C1CCCC1,"InChI=1S/C12H24O2Si/c1-13-15(14-2,11-7-3-4-8-11)12-9-5-6-10-12/h11-12H,3-10H2,1-2H3",C12H24O2Si,228.1545565
586,1-Chloro-2-propanol,127-00-4,DTXSID5020285,31370,1-Chloro-2-propanol,YYTSGNJTASLUOY-UHFFFAOYSA-N,1-Chloropropan-2-ol,CC(O)CCl,"InChI=1S/C3H7ClO/c1-3(5)2-4/h3,5H,2H2,1H3",C3H7ClO,94.0185425
587,Tetrachloroethylene,127-18-4,DTXSID2021319,31373,Tetrachloroethylene,CYTYCFOTNPOANT-UHFFFAOYSA-N,Tetrachloroethene,ClC(Cl)=C(Cl)Cl,InChI=1S/C2Cl4/c3-1(4)2(5)6,C2Cl4,163.8754108
588,Methyl abietate,127-25-3,DTXSID9048190,173058,Methyl abietate,OVXRPXGVKBHGQO-UYWIDEMCSA-N,"Methyl abieta-7,13-dien-18-oate",COC(=O)[C@]1(C)CCC[C@]2(C)[C@H]3CCC(=CC3=CC[C@@H]12)C(C)C,"InChI=1S/C21H32O2/c1-14(2)15-7-9-17-16(13-15)8-10-18-20(17,3)11-6-12-21(18,4)19(22)23-5/h8,13-14,17-18H,6-7,9-12H2,1-5H3/t17-,18+,20+,21+/m0/s1",C21H32O2,316.2402303
589,alpha-Ionone,127-41-3,DTXSID0035160,5282108,alpha-Ionone,UZFLPKAIBPNNCA-BQYQJAHWSA-N,"(3E)-4-(2,6,6-Trimethylcyclohex-2-en-1-yl)but-3-en-2-one",CC(=O)\C=C\C1C(C)=CCCC1(C)C,"InChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h6-8,12H,5,9H2,1-4H3/b8-7+",C13H20O,192.1514153
590,alpha-Isomethylionone,127-51-5,DTXSID7027047,61073,alpha-Isomethylionone,JRJBVWJSTHECJK-UHFFFAOYSA-N,"3-Methyl-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one",CC(=O)C(C)=CC1C(C)=CCCC1(C)C,"InChI=1S/C14H22O/c1-10-7-6-8-14(4,5)13(10)9-11(2)12(3)15/h7,9,13H,6,8H2,1-5H3",C14H22O,206.1670653
591,"2,2-Bis(4-hydroxy-3-isopropylphenyl)propane",127-54-8,DTXSID30281401,228537,"2,2-Bis(4-hydroxy-3-isopropylphenyl)propane",IJWIRZQYWANBMP-UHFFFAOYSA-N,"4,4'-(Propane-2,2-diyl)bis[2-(propan-2-yl)phenol]",CC(C)C1=C(O)C=CC(=C1)C(C)(C)C1=CC(C(C)C)=C(O)C=C1,"InChI=1S/C21H28O2/c1-13(2)17-11-15(7-9-19(17)22)21(5,6)16-8-10-20(23)18(12-16)14(3)4/h7-14,22-23H,1-6H3",C21H28O2,312.2089301
592,Diphenylsulfone,127-63-9,DTXSID6041892,31386,Diphenylsulfone,KZTYYGOKRVBIMI-UHFFFAOYSA-N,"1,1'-Sulfonyldibenzene",O=S(=O)(C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C12H10O2S/c13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H",C12H10O2S,218.0401507
593,beta-Pinene,127-91-3,DTXSID7027049,14896,beta-Pinene,WTARULDDTDQWMU-UHFFFAOYSA-N,"6,6-Dimethyl-2-methylidenebicyclo[3.1.1]heptane",CC1(C)C2CC1C(=C)CC2,"InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h8-9H,1,4-6H2,2-3H3",C10H16,136.1252005
594,13-hexyloxacyclotridec-10-en-2-one,127062-51-5,DTXSID80880908,566650,13-hexyloxacyclotridec-10-en-2-one,MLZOTJKUDBBLDQ-UHFFFAOYSA-N,13-Hexyl-1-oxacyclotridec-10-en-2-one,CCCCCCC1CC=CCCCCCCCC(=O)O1,"InChI=1S/C18H32O2/c1-2-3-4-11-14-17-15-12-9-7-5-6-8-10-13-16-18(19)20-17/h9,12,17H,2-8,10-11,13-16H2,1H3",C18H32O2,280.2402303
595,"dodecane, 2,2,11,11-tetramethyl-",127204-12-0,DTXSID90880691,545790,"dodecane, 2,2,11,11-tetramethyl-",CAIXULOWWKTPAP-UHFFFAOYSA-N,"2,2,11,11-Tetramethyldodecane",CC(C)(C)CCCCCCCCC(C)(C)C,"InChI=1S/C16H34/c1-15(2,3)13-11-9-7-8-10-12-14-16(4,5)6/h7-14H2,1-6H3",C16H34,226.2660511
596,Butylated hydroxytoluene,128-37-0,DTXSID2020216,31404,Butylated hydroxytoluene,NLZUEZXRPGMBCV-UHFFFAOYSA-N,"2,6-Di-tert-butyl-4-methylphenol",CC1=CC(=C(O)C(=C1)C(C)(C)C)C(C)(C)C,"InChI=1S/C15H24O/c1-10-8-11(14(2,3)4)13(16)12(9-10)15(5,6)7/h8-9,16H,1-7H3",C15H24O,220.1827154
597,"2,6-Di-tert-butylphenol",128-39-2,DTXSID6027052,31405,"2,6-Di-tert-butylphenol",DKCPKDPYUFEZCP-UHFFFAOYSA-N,"2,6-Di-tert-butylphenol",CC(C)(C)C1=CC=CC(=C1O)C(C)(C)C,"InChI=1S/C14H22O/c1-13(2,3)10-8-7-9-11(12(10)15)14(4,5)6/h7-9,15H,1-6H3",C14H22O,206.1670653
598,3-(3-Butyl-2-oxiranyl)-2-propenal (ACI),128386-31-2,,527305,3-(3-Butyl-2-oxiranyl)-2-propenal (ACI),JQNFKXWEJORMGJ-UHFFFAOYSA-N,3-(3-butyloxiran-2-yl)prop-2-enal,O=CC=CC1OC1CCCC,"InChI=1S/C9H14O2/c1-2-3-5-8-9(11-8)6-4-7-10/h4,6-9H,2-3,5H2,1H3",C9H14O2,154.099
599,trans-(2-Chlorovinyl)dimethylethoxysilane,128595-84-6,,5373071,trans-(2-Chlorovinyl)dimethylethoxysilane,CDRKALGDLCSMSG-AATRIKPKSA-N,[(E)-2-chloroethenyl]-ethoxy-dimethylsilane,ClC=C[Si](OCC)(C)C,"InChI=1S/C6H13ClOSi/c1-4-8-9(2,3)6-5-7/h5-6H,4H2,1-3H3",C6H13ClOSi,164.042
600,Pyrene,129-00-0,DTXSID3024289,31423,Pyrene,BBEAQIROQSPTKN-UHFFFAOYSA-N,Pyrene,C1=CC2=C3C(C=CC4=CC=CC(C=C2)=C34)=C1,InChI=1S/C16H10/c1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14/h1-10H,C16H10,202.0782503
601,11-Dehydrothromboxane B3,129228-55-3,DTXSID801357816,16061115,11-dehydro Thromboxane B3,OAHMLWQISGEXBB-XMEKLSCHSA-N,,CC\C=C/C[C@H](O)\C=C\[C@H]1OC(=O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O,"InChI=1S/C20H30O6/c1-2-3-6-9-15(21)12-13-18-16(17(22)14-20(25)26-18)10-7-4-5-8-11-19(23)24/h3-4,6-7,12-13,15-18,21-22H,2,5,8-11,14H2,1H3,(H,23,24)/b6-3-,7-4-,13-12+/t15-,16-,17-,18+/m0/s1",C20H30O6,366.2042387
602,"naphtho[2,1-b]furan, 1,2-dimethyl-",129812-23-3,DTXSID10880810,607299,"naphtho[2,1-b]furan, 1,2-dimethyl-",YHYOQUQINUTULF-UHFFFAOYSA-N,"1,2-Dimethylnaphtho[2,1-b]furan",CC1=C(C)C2=C(O1)C=CC1=CC=CC=C21,"InChI=1S/C14H12O/c1-9-10(2)15-13-8-7-11-5-3-4-6-12(11)14(9)13/h3-8H,1-2H3",C14H12O,196.088815
603,"1,2,3,4,7,8-Hexabromodibenzofuran",129880-08-6,DTXSID6073861,119363,"1,2,3,4,7,8-Hexabromodibenzofuran",MAHGKVWEQHQGJI-UHFFFAOYSA-N,"1,2,3,4,7,8-Hexabromodibenzo[b,d]furan",BrC1=CC2=C(C=C1Br)C1=C(O2)C(Br)=C(Br)C(Br)=C1Br,InChI=1S/C12H2Br6O/c13-4-1-3-6(2-5(4)14)19-12-7(3)8(15)9(16)10(17)11(12)18/h1-2H,C12H2Br6O,635.520593
604,"bicyclo[3.3.1]nonan-9-one, 1,2,4-trimethyl-3-nitro-, (2-endo,3-exo,4-exo)-(.+-.)-",129967-65-3,DTXSID30880630,565444,"bicyclo[3.3.1]nonan-9-one, 1,2,4-trimethyl-3-nitro-, (2-endo,3-exo,4-exo)-(.+-.)-",YAQCJOZXWLXCHO-UHFFFAOYSA-N,"1,2,4-Trimethyl-3-nitrobicyclo[3.3.1]nonan-9-one",CC1C2CCCC(C)(C(C)C1[N+]([O-])=O)C2=O,"InChI=1S/C12H19NO3/c1-7-9-5-4-6-12(3,11(9)14)8(2)10(7)13(15)16/h7-10H,4-6H2,1-3H3",C12H19NO3,225.1364935
605,4-Acetylphenyl acetate,13031-43-1,DTXSID9044534,83063,4-Acetylphenyl acetate,SMIOEQSLJNNKQF-UHFFFAOYSA-N,4-Acetylphenyl acetate,CC(=O)OC1=CC=C(C=C1)C(C)=O,"InChI=1S/C10H10O3/c1-7(11)9-3-5-10(6-4-9)13-8(2)12/h3-6H,1-2H3",C10H10O3,178.0629942
606,"1,1'-Biphenyl, 2,2'-diethyl-",13049-35-9,DTXSID00156576,83081,"1,1'-Biphenyl, 2,2'-diethyl-",VYVNYOJZPQVWHK-UHFFFAOYSA-N,"2,2'-Diethyl-1,1'-biphenyl",CCC1=CC=CC=C1C1=CC=CC=C1CC,"InChI=1S/C16H18/c1-3-13-9-5-7-11-15(13)16-12-8-6-10-14(16)4-2/h5-12H,3-4H2,1-2H3",C16H18,210.1408506
607,Polycyclic aromatic hydrocarbons,130498-29-2,DTXSID3044043,,Polycyclic aromatic hydrocarbons,,,,,,
608,Calcium oxide,1305-78-8,DTXSID5029631,6850728,Calcium oxide,BRPQOXSCLDDYGP-UHFFFAOYSA-N,Calcium oxide,[O--].[Ca++],InChI=1S/Ca.O/q+2;-2,CaO,55.9575055
609,Pentaerythritol Distearate,13081-97-5,DTXSID4047175,61575,Pentaerythritol Distearate,FSEJJKIPRNUIFL-UHFFFAOYSA-N,"2,2-Bis(hydroxymethyl)propane-1,3-diyl dioctadecanoate",CCCCCCCCCCCCCCCCCC(=O)OCC(CO)(CO)COC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C41H80O6/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-39(44)46-37-41(35-42,36-43)38-47-40(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h42-43H,3-38H2,1-2H3",C41H80O6,668.5954903
610,Iron oxide (Fe2O3),1309-37-1,DTXSID0029632,,Iron oxide (Fe2O3),,,,,,
611,Magnesium oxide,1309-48-4,DTXSID9049665,6850729,Magnesium oxide,AXZKOIWUVFPNLO-UHFFFAOYSA-N,Magnesium oxide,[O--].[Mg++],InChI=1S/Mg.O/q+2;-2,MgO,39.97995632
612,Antimony trioxide,1309-64-4,DTXSID4023880,59423141,Antimony trioxide,ADCOVFLJGNWWNZ-UHFFFAOYSA-N,"Distiboxane-1,3-dione",O=[Sb]O[Sb]=O,InChI=1S/3O.2Sb,O3Sb2,289.79236
613,"L-Tryptophanamide, N-acetyl-L-norleucyl-3-[(3-carboxy-1-oxopropyl)amino]-L-alanyl-L-histidyl-D-phenylalanyl-L-arginyl-3-amino-L-alanyl-, (2?6)-lactam (ACI)",1309111-85-0,,88878645,"L-Tryptophanamide, N-acetyl-L-norleucyl-3-[(3-carboxy-1-oxopropyl)amino]-L-alanyl-L-histidyl-D-phenylalanyl-L-arginyl-3-amino-L-alanyl-, (2?6)-lactam (ACI)",QXEWYZXRQRSHMR-ZLCORKTQSA-N,"(3S,6S,9R,12S,15S)-15-[[(2S)-2-acetamidohexanoyl]amino]-N-[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-9-benzyl-6-[3-(diaminomethylideneamino)propyl]-12-(1H-imidazol-5-ylmethyl)-5,8,11,14,18,21-hexaoxo-1,4,7,10,13,17-hexazacyclohenicosane-3-carboxamide",O=C(N)C(NC(=O)C1NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C)CCCC)CNC(=O)CCC(=O)NC1)CC2=CN=CN2)CC=3C=CC=CC3)CCCNC(=N)N)CC4=CNC=5C=CC=CC54,"InChI=1S/C50H68N16O10/c1-3-4-14-34(60-28(2)67)44(71)65-40-26-58-42(69)18-17-41(68)57-25-39(48(75)62-36(43(51)70)21-30-23-56-33-15-9-8-13-32(30)33)66-45(72)35(16-10-19-55-50(52)53)61-46(73)37(20-29-11-6-5-7-12-29)63-47(74)38(64-49(40)76)22-31-24-54-27-59-31/h5-9,11-13,15,23-24,27,34-40,56H,3-4,10,14,16-22,25-26H2,1-2H3,(H2,51,70)(H,54,59)(H,57,68)(H,58,69)(H,60,67)(H,61,73)(H,62,75)(H,63,74)(H,64,76)(H,65,71)(H,66,72)(H4,52,53,55)",C50H68N16O10,1052.53
614,Dimethyl phthalate,131-11-3,DTXSID3022455,8554,Dimethyl phthalate,NIQCNGHVCWTJSM-UHFFFAOYSA-N,"Dimethyl benzene-1,2-dicarboxylate",COC(=O)C1=C(C=CC=C1)C(=O)OC,"InChI=1S/C10H10O4/c1-13-9(11)7-5-3-4-6-8(7)10(12)14-2/h3-6H,1-2H3",C10H10O4,194.0579088
615,Di-n-propylphthalate,131-16-8,DTXSID5031133,8559,Di-n-propylphthalate,MQHNKCZKNAJROC-UHFFFAOYSA-N,"Dipropyl benzene-1,2-dicarboxylate",CCCOC(=O)C1=C(C=CC=C1)C(=O)OCCC,"InChI=1S/C14H18O4/c1-3-9-17-13(15)11-7-5-6-8-12(11)14(16)18-10-4-2/h5-8H,3-4,9-10H2,1-2H3",C14H18O4,250.1205091
616,Diallyl phthalate,131-17-9,DTXSID7020392,8560,Diallyl phthalate,QUDWYFHPNIMBFC-UHFFFAOYSA-N,"Diprop-2-en-1-yl benzene-1,2-dicarboxylate",C=CCOC(=O)C1=C(C=CC=C1)C(=O)OCC=C,"InChI=1S/C14H14O4/c1-3-9-17-13(15)11-7-5-6-8-12(11)14(16)18-10-4-2/h3-8H,1-2,9-10H2",C14H14O4,246.0892089
617,Dipentyl phthalate,131-18-0,DTXSID5031131,8561,Dipentyl phthalate,IPKKHRVROFYTEK-UHFFFAOYSA-N,"Dipentyl benzene-1,2-dicarboxylate",CCCCCOC(=O)C1=C(C=CC=C1)C(=O)OCCCCC,"InChI=1S/C18H26O4/c1-3-5-9-13-21-17(19)15-11-7-8-12-16(15)18(20)22-14-10-6-4-2/h7-8,11-12H,3-6,9-10,13-14H2,1-2H3",C18H26O4,306.1831093
618,Bis(6-methylheptyl) phthalate,131-20-4,DTXSID50873226,33934,Bis(6-methylheptyl) phthalate,IJFPVINAQGWBRJ-UHFFFAOYSA-N,"Bis(6-methylheptyl) benzene-1,2-dicarboxylate",CC(C)CCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCC(C)C,"InChI=1S/C24H38O4/c1-19(2)13-7-5-11-17-27-23(25)21-15-9-10-16-22(21)24(26)28-18-12-6-8-14-20(3)4/h9-10,15-16,19-20H,5-8,11-14,17-18H2,1-4H3",C24H38O4,390.2770097
619,"2,2'-Dihydroxy-4-methoxybenzophenone",131-53-3,DTXSID3022403,8569,"2,2′-Dihydroxy-4-methoxybenzophenone",MEZZCSHVIGVWFI-UHFFFAOYSA-N,(2-Hydroxy-4-methoxyphenyl)(2-hydroxyphenyl)methanone,COC1=CC=C(C(=O)C2=C(O)C=CC=C2)C(O)=C1,"InChI=1S/C14H12O4/c1-18-9-6-7-11(13(16)8-9)14(17)10-4-2-3-5-12(10)15/h2-8,15-16H,1H3",C14H12O4,244.0735589
620,"2,2',4,4'-Tetrahydroxybenzophenone",131-55-5,DTXSID5041306,8571,"2,2',4,4'-Tetrahydroxybenzophenone",WXNRYSGJLQFHBR-UHFFFAOYSA-N,"Bis(2,4-dihydroxyphenyl)methanone",OC1=CC(O)=C(C=C1)C(=O)C1=CC=C(O)C=C1O,"InChI=1S/C13H10O5/c14-7-1-3-9(11(16)5-7)13(18)10-4-2-8(15)6-12(10)17/h1-6,14-17H",C13H10O5,246.0528234
621,"2,4-Dihydroxybenzophenone",131-56-6,DTXSID8022406,8572,"2,4-Dihydroxybenzophenone",ZXDDPOHVAMWLBH-UHFFFAOYSA-N,"(2,4-Dihydroxyphenyl)(phenyl)methanone",OC1=CC=C(C(=O)C2=CC=CC=C2)C(O)=C1,"InChI=1S/C13H10O3/c14-10-6-7-11(12(15)8-10)13(16)9-4-2-1-3-5-9/h1-8,14-15H",C13H10O3,214.0629942
622,2-Hydroxy-4-methoxybenzophenone,131-57-7,DTXSID3022405,4632,2-Hydroxy-4-methoxybenzophenone,DXGLGDHPHMLXJC-UHFFFAOYSA-N,(2-Hydroxy-4-methoxyphenyl)(phenyl)methanone,COC1=CC=C(C(=O)C2=CC=CC=C2)C(O)=C1,"InChI=1S/C14H12O3/c1-17-11-7-8-12(13(15)9-11)14(16)10-5-3-2-4-6-10/h2-9,15H,1H3",C14H12O3,228.0786442
623,"Methanone, (2-methylphenyl)phenyl-",131-58-8,DTXSID5059618,67230,"Methanone, (2-methylphenyl)phenyl-",CKGKXGQVRVAKEA-UHFFFAOYSA-N,(2-Methylphenyl)(phenyl)methanone,CC1=C(C=CC=C1)C(=O)C1=CC=CC=C1,"InChI=1S/C14H12O/c1-11-7-5-6-10-13(11)14(15)12-8-3-2-4-9-12/h2-10H,1H3",C14H12O,196.088815
624,Monobutyl phthalate,131-70-4,DTXSID4040002,8575,Monobutyl phthalate,YZBOVSFWWNVKRJ-UHFFFAOYSA-N,2-(Butoxycarbonyl)benzoic acid,CCCCOC(=O)C1=C(C=CC=C1)C(O)=O,"InChI=1S/C12H14O4/c1-2-3-8-16-12(15)10-7-5-4-6-9(10)11(13)14/h4-7H,2-3,8H2,1H3,(H,13,14)",C12H14O4,222.0892089
625,"1-propene, 1,2,3-trichloro-, (z)-",13116-57-9,DTXSID70880876,5370144,"1-propene, 1,2,3-trichloro-, (z)-",HIILBTHBHCLUER-IWQZZHSRSA-N,"(1Z)-1,2,3-Trichloroprop-1-ene",ClC\C(Cl)=C\Cl,"InChI=1S/C3H3Cl3/c4-1-3(6)2-5/h1H,2H2/b3-1-",C3H3Cl3,143.9300332
626,"2,3,4,7,8-Pentabromodibenzofuran",131166-92-2,DTXSID5073870,107998,"2,3,4,7,8-Pentabromodibenzofuran",KHQDJFUIVSESDP-UHFFFAOYSA-N,"2,3,4,7,8-Pentabromodibenzo[b,d]furan",BrC1=CC2=C(C=C1Br)C1=C(O2)C(Br)=C(Br)C(Br)=C1,InChI=1S/C12H3Br5O/c13-6-1-4-5-2-8(15)10(16)11(17)12(5)18-9(4)3-7(6)14/h1-3H,C12H3Br5O,557.61008
627,"Benzene, 1,1?-(1,3,5,7-nonatetraene-1,9-diyl)bis- (9CI)",131278-16-5,,,"Benzene, 1,1?-(1,3,5,7-nonatetraene-1,9-diyl)bis- (9CI)",LKPKXEUFXZTSGA-UHFFFAOYSA-N,,C(C=CC=CCC=1C=CC=CC1)=CC=CC=2C=CC=CC2,"InChI=1S/C21H20/c1(2-4-8-14-20-16-10-6-11-17-20)3-5-9-15-21-18-12-7-13-19-21/h1-14,16-19H,15H2",,
628,Zinc oxide,1314-13-2,DTXSID7035016,3007857,Zinc oxide,RNWHGQJWIACOKP-UHFFFAOYSA-N,Zinc oxide,[O--].[Zn++],InChI=1S/O.Zn/q-2;+2,OZn,79.924057
629,Vanadium oxide (V2O5),1314-62-1,DTXSID2023806,14814,Vanadium oxide (V2O5),GNTDGMZSJNCJKK-UHFFFAOYSA-N,,O=[V](=O)O[V](=O)=O,InChI=1S/5O.2V,O5V2,181.862487
630,"1-heptene, 5-methyl-",13151-04-7,DTXSID40871211,99888,"1-heptene, 5-methyl-",WNEYWVBECXCQRT-UHFFFAOYSA-N,5-Methylhept-1-ene,CCC(C)CCC=C,"InChI=1S/C8H16/c1-4-6-7-8(3)5-2/h4,8H,1,5-7H2,2-3H3",C8H16,112.1252005
631,"1-octene, 6-methyl-",13151-10-5,DTXSID80880741,518716,"1-octene, 6-methyl-",NFTYCFXCGQYTKV-UHFFFAOYSA-N,6-Methyloct-1-ene,CCC(C)CCCC=C,"InChI=1S/C9H18/c1-4-6-7-8-9(3)5-2/h4,9H,1,5-8H2,2-3H3",C9H18,126.1408506
632,4-Methyl-1-octene,13151-12-7,DTXSID00333805,518717,4-Methyl-1-octene,XWJMQJGSSGDJSY-UHFFFAOYSA-N,4-Methyloct-1-ene,CCCCC(C)CC=C,"InChI=1S/C9H18/c1-4-6-8-9(3)7-5-2/h5,9H,2,4,6-8H2,1,3H3",C9H18,126.1408506
633,4-Methyl-1-decene,13151-29-6,DTXSID20333807,518719,4-Methyl-1-decene,IMRKOERSTLKEAO-UHFFFAOYSA-N,4-Methyldec-1-ene,CCCCCCC(C)CC=C,"InChI=1S/C11H22/c1-4-6-7-8-10-11(3)9-5-2/h5,11H,2,4,6-10H2,1,3H3",C11H22,154.1721507
634,3-Methyldecane,13151-34-3,DTXSID60871213,92239,3-Methyldecane,JJRUZTXRDDMYGM-UHFFFAOYSA-N,3-Methyldecane,CCCCCCCC(C)CC,"InChI=1S/C11H24/c1-4-6-7-8-9-10-11(3)5-2/h11H,4-10H2,1-3H3",C11H24,156.1878008
635,"cyclooctane, 1,4-dimethyl-, trans-",13151-98-9,DTXSID40880641,6432050,"cyclooctane, 1,4-dimethyl-, trans-",GUOSBMCHCJXBMH-NXEZZACHSA-N,"(1R,4R)-1,4-Dimethylcyclooctane",C[C@@H]1CCCC[C@@H](C)CC1,"InChI=1S/C10H20/c1-9-5-3-4-6-10(2)8-7-9/h9-10H,3-8H2,1-2H3/t9-,10-/m1/s1",C10H20,140.1565006
636,"cyclooctane, 1,4-dimethyl-, cis-",13151-99-0,DTXSID00880642,6432051,"cyclooctane, 1,4-dimethyl-, cis-",GUOSBMCHCJXBMH-AOOOYVTPSA-N,"(1R,4S)-1,4-Dimethylcyclooctane",C[C@H]1CCCC[C@@H](C)CC1,"InChI=1S/C10H20/c1-9-5-3-4-6-10(2)8-7-9/h9-10H,3-8H2,1-2H3/t9-,10+",C10H20,140.1565006
637,Ethylcyclooctane,13152-02-8,DTXSID70157095,25746,Ethylcyclooctane,FBGUQAGGWLRXTP-UHFFFAOYSA-N,Ethylcyclooctane,CCC1CCCCCCC1,"InChI=1S/C10H20/c1-2-10-8-6-4-3-5-7-9-10/h10H,2-9H2,1H3",C10H20,140.1565006
638,"(2,3-diphenylcyclopropyl)methyl phenyl sulfoxide, trans-",131758-71-9,DTXSID70880917,562543,"(2,3-diphenylcyclopropyl)methyl phenyl sulfoxide, trans-",MVULGCSHGFLUBH-UHFFFAOYSA-N,"1,1'-{3-[(Benzenesulfinyl)methyl]cyclopropane-1,2-diyl}dibenzene",O=S(CC1C(C1C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C22H20OS/c23-24(19-14-8-3-9-15-19)16-20-21(17-10-4-1-5-11-17)22(20)18-12-6-2-7-13-18/h1-15,20-22H,16H2",C22H20OS,332.1234864
639,"1,4-Dimethoxybutane",13179-96-9,DTXSID10333811,518727,"1,4-Dimethoxybutane",HMCUNLUHTBHKTB-UHFFFAOYSA-N,"1,4-Dimethoxybutane",COCCCCOC,"InChI=1S/C6H14O2/c1-7-5-3-4-6-8-2/h3-6H2,1-2H3",C6H14O2,118.0993797
640,Isobutyl phenyl carbonate,13183-18-1,DTXSID70335770,527088,Isobutyl phenyl carbonate,MTFSSQVLWRFNAZ-UHFFFAOYSA-N,2-Methylpropyl phenyl carbonate,CC(C)COC(=O)OC1=CC=CC=C1,"InChI=1S/C11H14O3/c1-9(2)8-13-11(12)14-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3",C11H14O3,194.0942943
641,"2-(2,2-Dimethylpropyl)phenyl hydrogen carbonate",13183-19-2,DTXSID50701313,53438453,"2-(2,2-Dimethylpropyl)phenyl hydrogen carbonate",WVAUDQCUIQSZIW-UHFFFAOYSA-N,"2-(2,2-Dimethylpropyl)phenyl hydrogen carbonate",CC(C)(C)CC1=CC=CC=C1OC(O)=O,"InChI=1S/C12H16O3/c1-12(2,3)8-9-6-4-5-7-10(9)15-11(13)14/h4-7H,8H2,1-3H3,(H,13,14)",C12H16O3,208.1099444
642,Methylstyrene,1319-73-9,DTXSID50872830,,Methylstyrene,,,,,,
643,Dibenzofuran,132-64-9,DTXSID2021993,568,Dibenzofuran,TXCDCPKCNAJMEE-UHFFFAOYSA-N,"Dibenzo[b,d]furan",O1C2=CC=CC=C2C2=C1C=CC=C2,InChI=1S/C12H8O/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8H,C12H8O,168.0575149
644,Dibenzothiophene,132-65-0,DTXSID0047741,3023,Dibenzothiophene,IYYZUPMFVPLQIF-UHFFFAOYSA-N,"Dibenzo[b,d]thiophene",S1C2=C(C=CC=C2)C2=C1C=CC=C2,InChI=1S/C12H8S/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8H,C12H8S,184.0346714
645,Divinylbenzene,1321-74-0,DTXSID2025216,,Divinylbenzene,,,,,,
646,Methylnaphthalene,1321-94-4,DTXSID3025625,,Methylnaphthalene,,,,,,
647,"Tricyclo[3.3.1.13,7]decane, 4-(1,1-dimethylethyl)-9-iodo-2,2-dimethyl-, (1?,3?,4?,5?,7?,9S*)- (9CI)",132156-64-0,,,"Tricyclo[3.3.1.13,7]decane, 4-(1,1-dimethylethyl)-9-iodo-2,2-dimethyl-, (1?,3?,4?,5?,7?,9S*)- (9CI)",OHTITRCEVVVTIW-UHFFFAOYNA-N,,IC1C2CC3CC1C(C)(C)C(C3)C2C(C)(C)C,"InChI=1S/C16H27I/c1-15(2,3)13-10-6-9-7-11(13)16(4,5)12(8-9)14(10)17/h9-14H,6-8H2,1-5H3",,
648,"1H-Indole, 5-methyl-2-phenyl-",13228-36-9,DTXSID9074692,83247,"1H-Indole, 5-methyl-2-phenyl-",JPFTUUXPCFNLIX-UHFFFAOYSA-N,5-Methyl-2-phenyl-1H-indole,CC1=CC=C2NC(=CC2=C1)C1=CC=CC=C1,"InChI=1S/C15H13N/c1-11-7-8-14-13(9-11)10-15(16-14)12-5-3-2-4-6-12/h2-10,16H,1H3",C15H13N,207.1047994
649,"2-naphthalenol, 1,2-dihydro-, acetate",132316-80-4,DTXSID80880685,581747,"2-naphthalenol, 1,2-dihydro-, acetate",GXGUOVFSCCAKNY-UHFFFAOYSA-N,"1,2-Dihydronaphthalen-2-yl acetate",CC(=O)OC1CC2=CC=CC=C2C=C1,"InChI=1S/C12H12O2/c1-9(13)14-12-7-6-10-4-2-3-5-11(10)8-12/h2-7,12H,8H2,1H3",C12H12O2,188.0837296
650,"2H-1-Benzopyran-3,5,7-triol, 2-[4-(acetyloxy)phenyl]-3,4-dihydro-, 3,7-diacetate, (2R,3S)-rel- (ACI)",132400-74-9,,,"2H-1-Benzopyran-3,5,7-triol, 2-[4-(acetyloxy)phenyl]-3,4-dihydro-, 3,7-diacetate, (2R,3S)-rel- (ACI)",HZLSVGMBJZWKHY-VJOGAFQXNA-N,,O=C(OC1=CC=C(C=C1)C2OC=3C=C(OC(=O)C)C=C(O)C3CC2OC(=O)C)C,"InChI=1S/C21H20O8/c1-11(22)26-15-6-4-14(5-7-15)21-20(28-13(3)24)10-17-18(25)8-16(27-12(2)23)9-19(17)29-21/h4-9,20-21,25H,10H2,1-3H3",,
651,"2-(1,3-Benzodioxol-5-yl)-5-hydroxy-3,8-dimethoxy-7-[(3-methyl-2-buten-1-yl)oxy]-4H-1-benzopyran-4-one (ACI)",132550-33-5,,44260025,"2-(1,3-Benzodioxol-5-yl)-5-hydroxy-3,8-dimethoxy-7-[(3-methyl-2-buten-1-yl)oxy]-4H-1-benzopyran-4-one (ACI)",IBKHFDNXHBVBAD-UHFFFAOYSA-N,"2-(1,3-benzodioxol-5-yl)-5-hydroxy-3,8-dimethoxy-7-(3-methylbut-2-enoxy)chromen-4-one",O=C1C(OC)=C(OC2=C(OC)C(OCC=C(C)C)=CC(O)=C12)C=3C=CC=4OCOC4C3,"InChI=1S/C23H22O8/c1-12(2)7-8-28-17-10-14(24)18-19(25)23(27-4)20(31-22(18)21(17)26-3)13-5-6-15-16(9-13)30-11-29-15/h5-7,9-10,24H,8,11H2,1-4H3",C23H22O8,426.131
652,Arsenic oxide (As2O3),1327-53-3,DTXSID0020103,14888,Arsenic oxide (As2O3),QTLQKAJBUDWPIB-UHFFFAOYSA-N,,[O--].[O--].[O--].[As+3].[As+3],InChI=1S/2As.3O/q2*+3;3*-2,As2O3,197.827934
653,6-Methyltridecane,13287-21-3,DTXSID7058620,25835,6-Methyltridecane,SOMJQWRITYTQJL-UHFFFAOYSA-N,6-Methyltridecane,CCCCCCCC(C)CCCCC,"InChI=1S/C14H30/c1-4-6-8-9-11-13-14(3)12-10-7-5-2/h14H,4-13H2,1-3H3",C14H30,198.234751
654,9-Methylnonadecane,13287-24-6,DTXSID20275834,86566,9-Methylnonadecane,FFVPRSKCTDQLBP-UHFFFAOYSA-N,9-Methylnonadecane,CCCCCCCCCCC(C)CCCCCCCC,"InChI=1S/C20H42/c1-4-6-8-10-12-13-15-17-19-20(3)18-16-14-11-9-7-5-2/h20H,4-19H2,1-3H3",C20H42,282.3286514
655,Folpet,133-07-3,DTXSID0021385,8607,Folpet,HKIOYBQGHSTUDB-UHFFFAOYSA-N,"2-[(Trichloromethyl)sulfanyl]-1H-isoindole-1,3(2H)-dione",ClC(Cl)(Cl)SN1C(=O)C2=C(C=CC=C2)C1=O,"InChI=1S/C9H4Cl3NO2S/c10-9(11,12)16-13-7(14)5-3-1-2-4-6(5)8(13)15/h1-4H",C9H4Cl3NO2S,294.9028326
656,Xylenes,1330-20-7,DTXSID2021446,,Xylenes,,,,,,
657,Tris(methylphenyl) phosphate,1330-78-5,DTXSID4021391,,Tris(methylphenyl) phosphate,,,,,C21H21O4P,368.1177462
658,Diisooctyl adipate,1330-86-5,DTXSID7027388,,Diisooctyl adipate,,,,,,
659,Isodecyl octyl phthalate,1330-96-7,DTXSID9061675,14902,Isodecyl octyl phthalate,UXLBXTIBYMXRNX-UHFFFAOYSA-N,"8-Methylnonyl octyl benzene-1,2-dicarboxylate",CCCCCCCCOC(=O)C1=C(C=CC=C1)C(=O)OCCCCCCCC(C)C,"InChI=1S/C26H42O4/c1-4-5-6-7-10-15-20-29-25(27)23-18-13-14-19-24(23)26(28)30-21-16-11-8-9-12-17-22(2)3/h13-14,18-19,22H,4-12,15-17,20-21H2,1-3H3",C26H42O4,418.3083098
660,"2,4,6-Tris(1,1,3,3-tetramethylbutyl)phenol (ACI)",133024-64-3,,22337960,"2,4,6-Tris(1,1,3,3-tetramethylbutyl)phenol (ACI)",RQENCFYPRXZBDL-UHFFFAOYSA-N,"2,4,6-tris(2,4,4-trimethylpentan-2-yl)phenol",OC=1C(=CC(=CC1C(C)(C)CC(C)(C)C)C(C)(C)CC(C)(C)C)C(C)(C)CC(C)(C)C,"InChI=1S/C30H54O/c1-25(2,3)18-28(10,11)21-16-22(29(12,13)19-26(4,5)6)24(31)23(17-21)30(14,15)20-27(7,8)9/h16-17,31H,18-20H2,1-15H3",C30H54O,430.417
661,Polychlorinated biphenyls,1336-36-3,DTXSID5024267,,Polychlorinated biphenyls,,,,,,
662,1-Pentadecene,13360-61-7,DTXSID1065421,25913,1-Pentadecene,PJLHTVIBELQURV-UHFFFAOYSA-N,Pentadec-1-ene,CCCCCCCCCCCCCC=C,"InChI=1S/C15H30/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h3H,1,4-15H2,2H3",C15H30,210.234751
663,Methyl 2-aminobenzoate,134-20-3,DTXSID6025567,8635,Methyl 2-aminobenzoate,VAMXMNNIEUEQDV-UHFFFAOYSA-N,Methyl 2-aminobenzoate,COC(=O)C1=C(N)C=CC=C1,"InChI=1S/C8H9NO2/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5H,9H2,1H3",C8H9NO2,151.0633285
664,DEET,134-62-3,DTXSID2021995,4284,DEET,MMOXZBCLCQITDF-UHFFFAOYSA-N,"N,N-Diethyl-3-methylbenzamide",CCN(CC)C(=O)C1=CC=CC(C)=C1,"InChI=1S/C12H17NO/c1-4-13(5-2)12(14)11-8-6-7-10(3)9-11/h6-9H,4-5H2,1-3H3",C12H17NO,191.1310142
665,4-Methylbenzophenone,134-84-9,DTXSID9037741,8652,4-Methylbenzophenone,WXPWZZHELZEVPO-UHFFFAOYSA-N,(4-Methylphenyl)(phenyl)methanone,CC1=CC=C(C=C1)C(=O)C1=CC=CC=C1,"InChI=1S/C14H12O/c1-11-7-9-13(10-8-11)14(15)12-5-3-2-4-6-12/h2-10H,1H3",C14H12O,196.088815
666,4-Chlorobenzophenone,134-85-0,DTXSID2051687,8653,4-Chlorobenzophenone,UGVRJVHOJNYEHR-UHFFFAOYSA-N,(4-Chlorophenyl)(phenyl)methanone,ClC1=CC=C(C=C1)C(=O)C1=CC=CC=C1,InChI=1S/C13H9ClO/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h1-9H,C13H9ClO,216.0341926
667,"Benzene, (1-methylpentadecyl)-",13419-16-4,DTXSID40341146,570615,"Benzene, (1-methylpentadecyl)-",ZUXDORPHXZKYTN-UHFFFAOYSA-N,(Hexadecan-2-yl)benzene,CCCCCCCCCCCCCCC(C)C1=CC=CC=C1,"InChI=1S/C22H38/c1-3-4-5-6-7-8-9-10-11-12-13-15-18-21(2)22-19-16-14-17-20-22/h14,16-17,19-21H,3-13,15,18H2,1-2H3",C22H38,302.2973512
668,"2-Hexenoic acid, (2E)-",13419-69-7,DTXSID60884601,5282707,"2-Hexenoic acid, (2E)-",NIONDZDPPYHYKY-SNAWJCMRSA-N,(2E)-Hex-2-enoic acid,CCC\C=C\C(O)=O,"InChI=1S/C6H10O2/c1-2-3-4-5-6(7)8/h4-5H,2-3H2,1H3,(H,7,8)/b5-4+",C6H10O2,114.0680796
669,"4-Hydroxy-3,5-diisopropylbenzoic acid",13423-73-9,DTXSID30158604,25972,"4-Hydroxy-3,5-diisopropylbenzoic acid",WYAZPCLFZZTVSP-UHFFFAOYSA-N,"4-Hydroxy-3,5-di(propan-2-yl)benzoic acid",CC(C)C1=CC(=CC(C(C)C)=C1O)C(O)=O,"InChI=1S/C13H18O3/c1-7(2)10-5-9(13(15)16)6-11(8(3)4)12(10)14/h5-8,14H,1-4H3,(H,15,16)",C13H18O3,222.1255944
670,(+/-)-?-Hexabromocyclododecane,134237-50-6,DTXSID00873771,,(+/-)-alpha-Hexabromocyclododecane,DEIGXXQKDWULML-SRDDMOCCNA-N,"(1R,2R,5S,6R,9R,10S)-1,2,5,6,9,10-Hexabromocyclododecane",Br[C@H]1CC[C@@H](Br)[C@H](Br)CC[C@H](Br)[C@H](Br)CC[C@H]1Br,"InChI=1S/C12H18Br6/c13-7-1-2-8(14)10(16)5-6-12(18)11(17)4-3-9(7)15/h7-12H,1-6H2/t7-,8-,9+,10+,11-,12-/m1/s1",C12H18Br6,635.650879
671,(+/-)-beta-Hexabromocyclododecane,134237-51-7,DTXSID60873772,,(+/-)-beta-Hexabromocyclododecane,DEIGXXQKDWULML-OUBNBXKCNA-N,"(1R,2R,5R,6S,9R,10S)-1,2,5,6,9,10-Hexabromocyclododecane",Br[C@H]1CC[C@@H](Br)[C@@H](Br)CC[C@@H](Br)[C@H](Br)CC[C@H]1Br,"InChI=1S/C12H18Br6/c13-7-1-2-8(14)10(16)5-6-12(18)11(17)4-3-9(7)15/h7-12H,1-6H2/t7-,8-,9-,10+,11+,12-/m1/s1",C12H18Br6,635.650879
672,(+/-)-gamma-Hexabromocyclododecane,134237-52-8,DTXSID20873773,,(+/-)-gamma-Hexabromocyclododecane,DEIGXXQKDWULML-MNYYWPMINA-N,"(1R,2R,5R,6S,9S,10R)-1,2,5,6,9,10-Hexabromocyclododecane",Br[C@H]1CC[C@H](Br)[C@H](Br)CC[C@@H](Br)[C@H](Br)CC[C@H]1Br,"InChI=1S/C12H18Br6/c13-7-1-2-8(14)10(16)5-6-12(18)11(17)4-3-9(7)15/h7-12H,1-6H2/t7-,8-,9-,10+,11-,12+/m1/s1",C12H18Br6,635.650879
673,"4-[4,5-Dihydro-4-(1H-indol-3-ylmethylene)-5-oxo-2-phenyl-1H-imidazol-1-yl]benzoic acid 2-[(2-hydroxyphenyl)[2-(2-methylphenyl)diazenyl]methylene]hydrazide (ACI)",134248-58-1,,,"4-[4,5-Dihydro-4-(1H-indol-3-ylmethylene)-5-oxo-2-phenyl-1H-imidazol-1-yl]benzoic acid 2-[(2-hydroxyphenyl)[2-(2-methylphenyl)diazenyl]methylene]hydrazide (ACI)",AYJSGPOYXHJYTD-UHFFFAOYSA-N,,O=C(NN=C(N=NC=1C=CC=CC1C)C=2C=CC=CC2O)C3=CC=C(C=C3)N4C(=O)C(N=C4C=5C=CC=CC5)=CC6=CNC=7C=CC=CC67,"InChI=1S/C39H29N7O3/c1-25-11-5-8-16-32(25)42-43-36(31-15-7-10-18-35(31)47)44-45-38(48)27-19-21-29(22-20-27)46-37(26-12-3-2-4-13-26)41-34(39(46)49)23-28-24-40-33-17-9-6-14-30(28)33/h2-24,40,47H,1H3,(H,45,48)",,
674,1-(2-Methoxypropoxy)-2-propanol,13429-07-7,DTXSID2058621,25982,1-(2-Methoxypropoxy)-2-propanol,FOLPKOWCPVGUCA-UHFFFAOYSA-N,1-(2-Methoxypropoxy)propan-2-ol,COC(C)COCC(C)O,"InChI=1S/C7H16O3/c1-6(8)4-10-5-7(2)9-3/h6-8H,4-5H2,1-3H3",C7H16O3,148.1099444
675,"3-hexanol, 2,4-dimethyl-",13432-25-2,DTXSID20880705,98257,"3-hexanol, 2,4-dimethyl-",UCRQJBCLZKHOGX-UHFFFAOYSA-N,"2,4-Dimethylhexan-3-ol",CCC(C)C(O)C(C)C,"InChI=1S/C8H18O/c1-5-7(4)8(9)6(2)3/h6-9H,5H2,1-4H3",C8H18O,130.1357652
676,Alumina,1344-28-1,DTXSID2041593,,Alumina,,,,,,
677,"1,1'-Oxybis[3-(octyloxy)propan-2-ol]",134450-05-8,DTXSID10768164,71341176,"1,1'-Oxybis[3-(octyloxy)propan-2-ol]",HOBUFQFSORIDQY-UHFFFAOYSA-N,"1,1'-Oxybis[3-(octyloxy)propan-2-ol]",CCCCCCCCOCC(O)COCC(O)COCCCCCCCC,"InChI=1S/C22H46O5/c1-3-5-7-9-11-13-15-25-17-21(23)19-27-20-22(24)18-26-16-14-12-10-8-6-4-2/h21-24H,3-20H2,1-2H3",C22H46O5,390.3345246
678,"(2E)-4,5-Epoxy-2-decenal",134454-31-2,DTXSID50928629,5352429,"(2E)-4,5-Epoxy-2-decenal",HIOMEXREAUSUBP-FNORWQNLSA-N,(2E)-3-(3-Pentyloxiran-2-yl)prop-2-enal,CCCCCC1OC1\C=C\C=O,"InChI=1S/C10H16O2/c1-2-3-4-6-9-10(12-9)7-5-8-11/h5,7-10H,2-4,6H2,1H3/b7-5+",C10H16O2,168.1150298
679,Titanium dioxide,13463-67-7,DTXSID3021352,154734330,Titanium dioxide,LEMYXEJBSHBMSA-UHFFFAOYSA-N,,[O--].[O--].[Ti++],InChI=1S/2O.Ti/q2*-2;+2,O2Ti,79.938868
680,3-Carene,13466-78-9,DTXSID4047462,26049,3-Carene,BQOFWKZOCNGFEC-UHFFFAOYSA-N,"3,7,7-Trimethylbicyclo[4.1.0]hept-3-ene",CC1=CCC2C(C1)C2(C)C,"InChI=1S/C10H16/c1-7-4-5-8-9(6-7)10(8,2)3/h4,8-9H,5-6H2,1-3H3",C10H16,136.1252005
681,"2,2,4,6,6-Pentamethylheptane",13475-82-6,DTXSID0042034,26058,"2,2,4,6,6-Pentamethylheptane",VKPSKYDESGTTFR-UHFFFAOYSA-N,"2,2,4,6,6-Pentamethylheptane",CC(CC(C)(C)C)CC(C)(C)C,"InChI=1S/C12H26/c1-10(8-11(2,3)4)9-12(5,6)7/h10H,8-9H2,1-7H3",C12H26,170.2034508
682,2-tert-Butylcyclohexanol,13491-79-7,DTXSID4044799,26068,2-tert-Butylcyclohexanol,DLTWBMHADAJAAZ-UHFFFAOYSA-N,2-tert-Butylcyclohexan-1-ol,CC(C)(C)C1CCCCC1O,"InChI=1S/C10H20O/c1-10(2,3)8-6-4-5-7-9(8)11/h8-9,11H,4-7H2,1-3H3",C10H20O,156.1514153
683,1-Naphyrone Hydrochloride,1349245-31-3,DTXSID401043057,11702467,1-Naphyrone Hydrochloride,ZXZHLWWXPQQYJX-UHFFFAOYSA-N,,Cl.CCCC(N1CCCC1)C(=O)C1=CC=CC2=CC=CC=C12,"InChI=1S/C19H23NO.ClH/c1-2-8-18(20-13-5-6-14-20)19(21)17-12-7-10-15-9-3-4-11-16(15)17;/h3-4,7,9-12,18H,2,5-6,8,13-14H2,1H3;1H",C19H24ClNO,317.1546421
684,2-Naphthalenol,135-19-3,DTXSID5027061,8663,2-Naphthalenol,JWAZRIHNYRIHIV-UHFFFAOYSA-N,Naphthalen-2-ol,OC1=CC2=C(C=CC=C2)C=C1,"InChI=1S/C10H8O/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7,11H",C10H8O,144.0575149
685,sec-Butylbenzene,135-98-8,DTXSID2022333,8680,sec-Butylbenzene,ZJMWRROPUADPEA-UHFFFAOYSA-N,(Butan-2-yl)benzene,CCC(C)C1=CC=CC=C1,"InChI=1S/C10H14/c1-3-9(2)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3",C10H14,134.1095505
686,15-Hydroxy-?-muurolene,135118-51-3,,14845385,15-Hydroxy-?-muurolene,DFIKBBWSGFHYMP-ZNMIVQPWSA-N,"[(4aS,8S,8aR)-5-methyl-8-propan-2-yl-3,4,4a,7,8,8a-hexahydronaphthalen-2-yl]methanol",OCC1=CC2C(C(=CCC2C(C)C)C)CC1,"InChI=1S/C15H24O/c1-10(2)13-6-4-11(3)14-7-5-12(9-16)8-15(13)14/h4,8,10,13-16H,5-7,9H2,1-3H3",C15H24O,220.183
687,2??-O-Rhamnosylicariside II,135293-13-9,,5318987,2??-O-Rhamnosylicariside II,TVBJKPLTBPGHDJ-ZJTKNEERSA-N,"3-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5,7-dihydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)chromen-4-one",O=C1C(OC2OC(C)C(O)C(O)C2OC3OC(C)C(O)C(O)C3O)=C(OC=4C1=C(O)C=C(O)C4CC=C(C)C)C=5C=CC(OC)=CC5,"InChI=1S/C33H40O14/c1-13(2)6-11-18-19(34)12-20(35)21-24(38)30(28(45-29(18)21)16-7-9-17(42-5)10-8-16)46-33-31(26(40)23(37)15(4)44-33)47-32-27(41)25(39)22(36)14(3)43-32/h6-10,12,14-15,22-23,25-27,31-37,39-41H,11H2,1-5H3",C33H40O14,660.242
688,"benzene, 1,2-dimethyl-4-(phenylmethyl)-",13540-56-2,DTXSID20880806,602496,"4-Benzyl-1,2-dimethylbenzene",IWSSFULMLQTJFO-UHFFFAOYSA-N,"4-Benzyl-1,2-dimethylbenzene",CC1=CC=C(CC2=CC=CC=C2)C=C1C,"InChI=1S/C15H16/c1-12-8-9-15(10-13(12)2)11-14-6-4-3-5-7-14/h3-10H,11H2,1-2H3",C15H16,196.1252005
689,1-Chloro-4-(1-chloroethenyl)cyclohex-1-ene,13547-06-3,DTXSID10929016,26101,1-Chloro-4-(1-chloroethenyl)cyclohex-1-ene,RRBHRPHCJASXKZ-UHFFFAOYSA-N,1-Chloro-4-(1-chloroethenyl)cyclohex-1-ene,ClC(=C)C1CCC(Cl)=CC1,"InChI=1S/C8H10Cl2/c1-6(9)7-2-4-8(10)5-3-7/h4,7H,1-3,5H2",C8H10Cl2,176.0159557
690,"(E,Z,Z)-2,4,7-Tridecatrienal",13552-96-0,DTXSID701016269,6421281,"(E,Z,Z)-2,4,7-Tridecatrienal",BIXIZZVISIZZDM-JSHIYTDESA-N,"(2E,4Z,7Z)-Trideca-2,4,7-trienal",CCCCC\C=C/C\C=C/C=C/C=O,"InChI=1S/C13H20O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h6-7,9-13H,2-5,8H2,1H3/b7-6-,10-9-,12-11+",C13H20O,192.1514153
691,Dechlorane Plus,13560-89-9,DTXSID7027750,26111,Dechlorane Plus,UGQQAJOWXNCOPY-UHFFFAOYSA-N,"1,2,3,4,7,8,9,10,13,13,14,14-Dodecachloro-1,4,4a,5,6,6a,7,10,10a,11,12,12a-dodecahydro-1,4:7,10-dimethanodibenzo[a,e][8]annulene",ClC1=C(Cl)C2(Cl)C3CCC4C(CCC3C1(Cl)C2(Cl)Cl)C1(Cl)C(Cl)=C(Cl)C4(Cl)C1(Cl)Cl,"InChI=1S/C18H12Cl12/c19-9-10(20)15(25)7-3-4-8-6(2-1-5(7)13(9,23)17(15,27)28)14(24)11(21)12(22)16(8,26)18(14,29)30/h5-8H,1-4H2",C18H12Cl12,647.7201328
692,"4,5,6,7,13,14,15,16,19,19,20,20-Dodecachloroheptacyclo[9.6.1.1~4,7~.1~13,16~.0~2,10~.0~3,8~.0~12,17~]icosa-5,14-diene (non-preferred name)",13560-90-2,DTXSID70675901,,"4,5,6,7,13,14,15,16,19,19,20,20-Dodecachloroheptacyclo[9.6.1.1~4,7~.1~13,16~.0~2,10~.0~3,8~.0~12,17~]icosa-5,14-diene",COOHPPAZRZIWHM-BSGXFCCUNA-N,"(1R,2S,3S,4S,7R,8R,10S,11S,12S,13S,16R,17R)-4,5,6,7,13,14,15,16,19,19,20,20-Dodecachloroheptacyclo[9.6.1.1~4,7~.1~13,16~.0~2,10~.0~3,8~.0~12,17~]icosa-5,14-diene",[H][C@@]12C[C@]3([H])[C@]([H])([C@]1([H])[C@@]1([H])C[C@]2([H])[C@@]2([H])[C@]1([H])[C@@]1(Cl)C(Cl)=C(Cl)[C@]2(Cl)C1(Cl)Cl)[C@]1(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C1(Cl)Cl,"InChI=1S/C20H12Cl12/c21-11-12(22)18(28)10-6(15(11,25)19(18,29)30)2-3-4-1-5(7(3)10)9-8(4)16(26)13(23)14(24)17(9,27)20(16,31)32/h3-10H,1-2H2/t3-,4-,5+,6+,7-,8-,9+,10+,15+,16-,17+,18-/m0/s1",C20H12Cl12,671.7201328
693,Dechlorane 603,13560-92-4,DTXSID30108225,,Dechlorane 603,,,,,,
694,1-Ethyl 4-(3-fluorophenyl) (2E)-2-butenedioate (ACI),1357168-21-8,,91713095,1-Ethyl 4-(3-fluorophenyl) (2E)-2-butenedioate (ACI),NEYNLJGOKDZOEH-VOTSOKGWSA-N,1-O-ethyl 4-O-(3-fluorophenyl) (E)-but-2-enedioate,O=C(OC=1C=CC=C(F)C1)C=CC(=O)OCC,"InChI=1S/C12H11FO4/c1-2-16-11(14)6-7-12(15)17-10-5-3-4-9(13)8-10/h3-8H,2H2,1H3",C12H11FO4,238.064
695,"(1S,2aR,3R,4aS,5R,5aS,6R,7S,8aR,9S,10R,10aR,10bS)-1,5,8a,9-Tetrakis(acetyloxy)-7-(benzoyloxy)tetradecahydro-1,7,10-trimethyl-6-(2-methyl-1-oxopropoxy)-4-oxo-1H-10,4a-(epoxymethano)cyclobuta[3,4]benz[1,2-f]azulen-3-yl 2-methylbutanoate (ACI)",1357362-65-2,,57327731,"(1S,2aR,3R,4aS,5R,5aS,6R,7S,8aR,9S,10R,10aR,10bS)-1,5,8a,9-Tetrakis(acetyloxy)-7-(benzoyloxy)tetradecahydro-1,7,10-trimethyl-6-(2-methyl-1-oxopropoxy)-4-oxo-1H-10,4a-(epoxymethano)cyclobuta[3,4]benz[1,2-f]azulen-3-yl 2-methylbutanoate (ACI)",VWVIYIWONBFQMY-KKGAQAERSA-N,"[(1S,2R,3S,4R,5S,7R,8S,9R,10R,11S,12S,14R,15R)-2,7,8,12-tetraacetyloxy-5,9,12-trimethyl-15-(2-methylbutanoyloxy)-4-(2-methylpropanoyloxy)-16-oxo-18-oxapentacyclo[7.7.2.01,10.03,7.011,14]octadecan-5-yl] benzoate",O=C(OC1(C)CC2(OC(=O)C)C(OC(=O)C)C3(OCC4(C(=O)C(OC(=O)C(C)CC)C5CC(OC(=O)C)(C)C5C34)C(OC(=O)C)C2C1OC(=O)C(C)C)C)C=6C=CC=CC6,"InChI=1S/C44H56O16/c1-12-22(4)37(51)56-31-28-18-40(9,58-25(7)47)29(28)32-42(11)39(55-24(6)46)44(59-26(8)48)19-41(10,60-38(52)27-16-14-13-15-17-27)34(57-36(50)21(2)3)30(44)35(54-23(5)45)43(32,20-53-42)33(31)49/h13-17,21-22,28-32,34-35,39H,12,18-20H2,1-11H3",C44H56O16,840.357
696,syn-Dechlorane Plus,135821-03-3,DTXSID501016863,,syn-Dechlorane Plus,UGQQAJOWXNCOPY-MXYLTYEXNA-N,"(1R,4S,4aS,6aR,7R,10S,10aS,12aR)-1,2,3,4,7,8,9,10,13,13,14,14-Dodecachloro-1,4,4a,5,6,6a,7,10,10a,11,12,12a-dodecahydro-1,4:7,10-dimethanodibenzo[a,e][8]annulene",[H][C@]12CC[C@]3([H])[C@]([H])(CC[C@@]1([H])[C@@]1(Cl)C(Cl)=C(Cl)[C@]2(Cl)C1(Cl)Cl)[C@]1(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C1(Cl)Cl,"InChI=1S/C18H12Cl12/c19-9-10(20)15(25)7-3-4-8-6(2-1-5(7)13(9,23)17(15,27)28)14(24)11(21)12(22)16(8,26)18(14,29)30/h5-8H,1-4H2/t5-,6+,7+,8-,13-,14+,15+,16-",C18H12Cl12,647.7201328
697,anti-Dechlorane Plus,135821-74-8,DTXSID201016864,,anti-Dechlorane Plus,UGQQAJOWXNCOPY-VBCJEVMVNA-N,"(1R,4S,4aS,6aS,7S,10R,10aR,12aR)-1,2,3,4,7,8,9,10,13,13,14,14-Dodecachloro-1,4,4a,5,6,6a,7,10,10a,11,12,12a-dodecahydro-1,4:7,10-dimethanodibenzo[a,e][8]annulene",[H][C@]12CC[C@@]3([H])[C@@]([H])(CC[C@@]1([H])[C@@]1(Cl)C(Cl)=C(Cl)[C@]2(Cl)C1(Cl)Cl)[C@@]1(Cl)C(Cl)=C(Cl)[C@]3(Cl)C1(Cl)Cl,"InChI=1S/C18H12Cl12/c19-9-10(20)15(25)7-3-4-8-6(2-1-5(7)13(9,23)17(15,27)28)14(24)11(21)12(22)16(8,26)18(14,29)30/h5-8H,1-4H2/t5-,6-,7+,8+,13-,14-,15+,16+",C18H12Cl12,647.7201328
698,"1,3:2,4-Bis(3,4-dimethylbenzylidene)-D-sorbitol",135861-56-2,DTXSID4051297,18666587,"1,3:2,4-Bis(3,4-dimethylbenzylidene)-D-sorbitol",YWEWWNPYDDHZDI-JJKKTNRVSA-N,"(1R)-1-[(4R,4aR,8aS)-2,6-Bis(3,4-dimethylphenyl)tetrahydro-2H,6H-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl]ethane-1,2-diol",[H][C@]12COC(O[C@@]1([H])[C@]([H])(OC(O2)C1=CC=C(C)C(C)=C1)[C@H](O)CO)C1=CC=C(C)C(C)=C1,"InChI=1S/C24H30O6/c1-13-5-7-17(9-15(13)3)23-27-12-20-22(30-23)21(19(26)11-25)29-24(28-20)18-8-6-14(2)16(4)10-18/h5-10,19-26H,11-12H2,1-4H3/t19-,20+,21-,22-,23?,24?/m1/s1",C24H30O6,414.2042387
699,"1,3-Bis[1-methyl-1-(4-hydroxyphenyl)ethyl]benzene",13595-25-0,DTXSID7065548,3292100,"1,3-Bis[1-methyl-1-(4-hydroxyphenyl)ethyl]benzene",PVFQHGDIOXNKIC-UHFFFAOYSA-N,"4,4'-[1,3-Phenylenedi(propane-2,2-diyl)]diphenol",CC(C)(C1=CC=C(O)C=C1)C1=CC(=CC=C1)C(C)(C)C1=CC=C(O)C=C1,"InChI=1S/C24H26O2/c1-23(2,17-8-12-21(25)13-9-17)19-6-5-7-20(16-19)24(3,4)18-10-14-22(26)15-11-18/h5-16,25-26H,1-4H3",C24H26O2,346.1932801
700,Butyl benzoate,136-60-7,DTXSID8040694,8698,Butyl benzoate,XSIFPSYPOVKYCO-UHFFFAOYSA-N,Butyl benzoate,CCCCOC(=O)C1=CC=CC=C1,"InChI=1S/C11H14O2/c1-2-3-9-13-11(12)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3",C11H14O2,178.0993797
701,5-Methyl-1H-benzotriazole,136-85-6,DTXSID1038743,8705,5-Methyl-1H-benzotriazole,LRUDIIUSNGCQKF-UHFFFAOYSA-N,5-Methyl-1H-benzotriazole,CC1=CC2=C(NN=N2)C=C1,"InChI=1S/C7H7N3/c1-5-2-3-6-7(4-5)9-10-8-6/h2-4H,1H3,(H,8,9,10)",C7H7N3,133.0639972
702,"1-phenanthrenecarboxaldehyde, 1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-, [1R-(1.alpha.,4a.beta.,10a.alpha.)]-",13601-88-2,DTXSID70880715,11694869,"1-phenanthrenecarboxaldehyde, 1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-, [1R-(1.alpha.,4a.beta.,10a.alpha.)]-",YCLCHPWRGSDZKL-SLFFLAALSA-N,"Abieta-8,11,13-trien-18-al",[H][C@@]12CCC3=C(C=CC(=C3)C(C)C)[C@@]1(C)CCC[C@@]2(C)C=O,"InChI=1S/C20H28O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h6,8,12-14,18H,5,7,9-11H2,1-4H3/t18-,19-,20+/m0/s1",C20H28O,284.2140155
703,"1,4-Diethyl-2-methylbenzene",13632-94-5,DTXSID40159763,139518,"1,4-Diethyl-2-methylbenzene",ZEHGGUIGEDITMM-UHFFFAOYSA-N,"1,4-Diethyl-2-methylbenzene",CCC1=CC(C)=C(CC)C=C1,"InChI=1S/C11H16/c1-4-10-6-7-11(5-2)9(3)8-10/h6-8H,4-5H2,1-3H3",C11H16,148.1252005
704,Decabromodiphenyl,13654-09-6,DTXSID9065572,26164,Decabromodiphenyl,AQPHBYQUCKHJLT-UHFFFAOYSA-N,"2,2',3,3',4,4',5,5',6,6'-Decabromo-1,1'-biphenyl",BrC1=C(Br)C(Br)=C(C(Br)=C1Br)C1=C(Br)C(Br)=C(Br)C(Br)=C1Br,InChI=1S/C12Br10/c13-3-1(4(14)8(18)11(21)7(3)17)2-5(15)9(19)12(22)10(20)6(2)16,C12Br10,933.18338
705,Tris(2-chloroisopropyl)phosphate,13674-84-5,DTXSID5026259,26176,Tris(2-chloroisopropyl)phosphate,KVMPUXDNESXNOH-UHFFFAOYSA-N,Tris(1-chloropropan-2-yl) phosphate,CC(CCl)OP(=O)(OC(C)CCl)OC(C)CCl,"InChI=1S/C9H18Cl3O4P/c1-7(4-10)14-17(13,15-8(2)5-11)16-9(3)6-12/h7-9H,4-6H2,1-3H3",C9H18Cl3O4P,326.0008292
706,"Tris(1,3-dichloro-2-propyl) phosphate",13674-87-8,DTXSID9026261,26177,"Tris(1,3-dichloro-2-propyl) phosphate",ASLWPAWFJZFCKF-UHFFFAOYSA-N,"Tris(1,3-dichloropropan-2-yl) phosphate",ClCC(CCl)OP(=O)(OC(CCl)CCl)OC(CCl)CCl,"InChI=1S/C9H15Cl6O4P/c10-1-7(2-11)17-20(16,18-8(3-12)4-13)19-9(5-14)6-15/h7-9H,1-6H2",C9H15Cl6O4P,427.8839122
708,2-Methyl-1-butanol,137-32-6,DTXSID5027069,8723,2-Methyl-1-butanol,QPRQEDXDYOZYLA-UHFFFAOYSA-N,2-Methylbutan-1-ol,CCC(C)CO,"InChI=1S/C5H12O/c1-3-5(2)4-6/h5-6H,3-4H2,1-2H3",C5H12O,88.08881501
709,Ascorbyl palmitate,137-66-6,DTXSID3041611,54680660,Ascorbyl palmitate,QAQJMLQRFWZOBN-LAUBAEHRSA-N,"(2S)-2-[(2R)-3,4-Dihydroxy-5-oxo-2,5-dihydrofuran-2-yl]-2-hydroxyethyl hexadecanoate",CCCCCCCCCCCCCCCC(=O)OC[C@H](O)[C@H]1OC(=O)C(O)=C1O,"InChI=1S/C22H38O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(24)28-16-17(23)21-19(25)20(26)22(27)29-21/h17,21,23,25-26H,2-16H2,1H3/t17-,21+/m0/s1",C22H38O7,414.2617536
710,Bis(2-ethylhexyl) isophthalate,137-89-3,DTXSID7024619,8733,Bis(2-ethylhexyl) isophthalate,WXZOXVVKILCOPG-UHFFFAOYSA-N,"Bis(2-ethylhexyl) benzene-1,3-dicarboxylate",CCCCC(CC)COC(=O)C1=CC(=CC=C1)C(=O)OCC(CC)CCCC,"InChI=1S/C24H38O4/c1-5-9-12-19(7-3)17-27-23(25)21-14-11-15-22(16-21)24(26)28-18-20(8-4)13-10-6-2/h11,14-16,19-20H,5-10,12-13,17-18H2,1-4H3",C24H38O4,390.2770097
711,"(2aR,4aR,7aR,7bR)-2a,3,4,4a,6,7,7a,7b-Octahydro-2,2a,4a,7a-tetramethyl-5H-cyclopent[cd]inden-5-one (ACI)",137235-42-8,,14828697,"(2aR,4aR,7aR,7bR)-2a,3,4,4a,6,7,7a,7b-Octahydro-2,2a,4a,7a-tetramethyl-5H-cyclopent[cd]inden-5-one (ACI)",DLQLSDBJZVQCLE-KBXIAJHMSA-N,"(1R,4R,7R,11R)-1,3,4,7-tetramethyltricyclo[5.3.1.04,11]undec-2-en-8-one",O=C1CCC2(C=C(C)C3(C)CCC1(C)C23)C,"InChI=1S/C15H22O/c1-10-9-13(2)6-5-11(16)15(4)8-7-14(10,3)12(13)15/h9,12H,5-8H2,1-4H3",C15H22O,218.167
712,"Phosphoric acid, 2-chloro-1-methylethyl bis(3-chloropropyl) ester",137888-35-8,DTXSID40340795,567512,"Phosphoric acid, 2-chloro-1-methylethyl bis(3-chloropropyl) ester",LURCDQJWIBOOGP-UHFFFAOYSA-N,1-Chloropropan-2-yl bis(3-chloropropyl) phosphate,CC(CCl)OP(=O)(OCCCCl)OCCCCl,"InChI=1S/C9H18Cl3O4P/c1-9(8-12)16-17(13,14-6-2-4-10)15-7-3-5-11/h9H,2-8H2,1H3",C9H18Cl3O4P,326.0008292
713,Hexasulfur,13798-23-7,DTXSID00893333,139602,Hexasulfur,FEXCMMPRRBSCRG-UHFFFAOYSA-N,Hexathiane,S1SSSSS1,InChI=1S/S6/c1-2-4-6-5-3-1,S6,191.832427
714,Butyl lactate,138-22-7,DTXSID7042196,8738,Butyl lactate,MRABAEUHTLLEML-UHFFFAOYSA-N,Butyl 2-hydroxypropanoate,CCCCOC(=O)C(C)O,"InChI=1S/C7H14O3/c1-3-4-5-10-7(9)6(2)8/h6,8H,3-5H2,1-2H3",C7H14O3,146.0942943
715,Limonene,138-86-3,DTXSID2029612,22311,Limonene,XMGQYMWWDOXHJM-UHFFFAOYSA-N,1-Methyl-4-(prop-1-en-2-yl)cyclohex-1-ene,CC(=C)C1CCC(C)=CC1,"InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3",C10H16,136.1252005
716,"1-Oxaspiro[4.5]deca-6,9-dien-8-one, 7,9-bis(1,1-dimethylethyl)-",138345-00-3,DTXSID60345606,605776,"1-Oxaspiro[4.5]deca-6,9-dien-8-one, 7,9-bis(1,1-dimethylethyl)-",NXVCHTCAMYVBEC-UHFFFAOYSA-N,"7,9-Di-tert-butyl-1-oxaspiro[4.5]deca-6,9-dien-8-one",CC(C)(C)C1=CC2(CCCO2)C=C(C1=O)C(C)(C)C,"InChI=1S/C17H26O2/c1-15(2,3)12-10-17(8-7-9-19-17)11-13(14(12)18)16(4,5)6/h10-11H,7-9H2,1-6H3",C17H26O2,262.1932801
717,"4-Cyclohexene-1,2,3-triol, 4-[(benzoyloxy)methyl]-6-methoxy-, 3-acetate 2-benzoate, (1R,2R,3S,6R)- (ACI)",1383732-20-4,,60156161,"4-Cyclohexene-1,2,3-triol, 4-[(benzoyloxy)methyl]-6-methoxy-, 3-acetate 2-benzoate, (1R,2R,3S,6R)- (ACI)",SOXXTQGQIQHKHY-YUMYIRISSA-N,"[(3R,4R,5R,6S)-6-acetyloxy-5-benzoyloxy-4-hydroxy-3-methoxycyclohexen-1-yl]methyl benzoate",O=C(OCC1=CC(OC)C(O)C(OC(=O)C=2C=CC=CC2)C1OC(=O)C)C=3C=CC=CC3,"InChI=1S/C24H24O8/c1-15(25)31-21-18(14-30-23(27)16-9-5-3-6-10-16)13-19(29-2)20(26)22(21)32-24(28)17-11-7-4-8-12-17/h3-13,19-22,26H,14H2,1-2H3",C24H24O8,440.147
718,"Phenol, tribromo-",138507-65-0,DTXSID20275011,32928,"Phenol, tribromo-",OUCSIUCEQVCDEL-UHFFFAOYSA-N,"2,3,4-Tribromophenol",OC1=C(Br)C(Br)=C(Br)C=C1,"InChI=1S/C6H3Br3O/c7-3-1-2-4(10)6(9)5(3)8/h1-2,10H",C6H3Br3O,327.773404
719,beta-Ocimene,13877-91-3,DTXSID70274135,18756,beta-Ocimene,IHPKGUQCSIINRJ-UHFFFAOYSA-N,"3,7-Dimethylocta-1,3,6-triene",CC(C)=CCC=C(C)C=C,"InChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,7-8H,1,6H2,2-4H3",C10H16,136.1252005
720,2-Methyl-1-anthracenamine (ACI),139009-49-7,,15716470,2-Methyl-1-anthracenamine (ACI),LNGNDIQVGYBPSM-UHFFFAOYSA-N,2-methylanthracen-1-amine,NC=1C2=CC=3C=CC=CC3C=C2C=CC1C,"InChI=1S/C15H13N/c1-10-6-7-13-8-11-4-2-3-5-12(11)9-14(13)15(10)16/h2-9H,16H2,1H3",C15H13N,207.105
721,"6-Octenal, 2,3-dihydroxy-3,7-dimethyl- (ACI)",1393594-54-1,,,"6-Octenal, 2,3-dihydroxy-3,7-dimethyl- (ACI)",SQPYJHBXPWBUAL-UHFFFAOYSA-N,,O=CC(O)C(O)(C)CCC=C(C)C,"InChI=1S/C10H18O3/c1-8(2)5-4-6-10(3,13)9(12)7-11/h5,7,9,12-13H,4,6H2,1-3H3",,
722,"7,9-Bis(1,1-dimethylethyl)-1-oxaspiro[4.5]deca-6,9-diene (ACI)",1393880-27-7,,,"7,9-Bis(1,1-dimethylethyl)-1-oxaspiro[4.5]deca-6,9-diene (ACI)",ULJYOVRPCHLVNC-UHFFFAOYSA-N,,O1CCCC12C=C(CC(=C2)C(C)(C)C)C(C)(C)C,"InChI=1S/C17H28O/c1-15(2,3)13-10-14(16(4,5)6)12-17(11-13)8-7-9-18-17/h11-12H,7-10H2,1-6H3",,
723,"4a,8a-Dimethyldecahydronaphthalene",13950-38-4,DTXSID50617283,21717806,"4a,8a-Dimethyldecahydronaphthalene",FUUGBGSHEIEQMS-UHFFFAOYSA-N,"4a,8a-Dimethyldecahydronaphthalene",CC12CCCCC1(C)CCCC2,"InChI=1S/C12H22/c1-11-7-3-5-9-12(11,2)10-6-4-8-11/h3-10H2,1-2H3",C12H22,166.1721507
724,4-Nitrobenzaldehyde S-benzoylthiooxime (ACI),139776-09-3,,569530,4-Nitrobenzaldehyde S-benzoylthiooxime (ACI),ZZORWWALTATITR-UHFFFAOYSA-N,S-[(4-nitrophenyl)methylideneamino] benzenecarbothioate,O=C(SN=CC1=CC=C(C=C1)N(=O)=O)C=2C=CC=CC2,InChI=1S/C14H10N2O3S/c17-14(12-4-2-1-3-5-12)20-15-10-11-6-8-13(9-7-11)16(18)19/h1-10H,C14H10N2O3S,286.041
725,Tris(2-chloroethyl) phosphite,140-08-9,DTXSID0026258,8783,Tris(2-chloroethyl) phosphite,LUVCTYHBTXSAMX-UHFFFAOYSA-N,Tris(2-chloroethyl) phosphite,ClCCOP(OCCCl)OCCCl,InChI=1S/C6H12Cl3O3P/c7-1-4-10-13(11-5-2-8)12-6-3-9/h1-6H2,C6H12Cl3O3P,267.9589643
726,Benzyl acetate,140-11-4,DTXSID0020151,8785,Benzyl acetate,QUKGYYKBILRGFE-UHFFFAOYSA-N,Benzyl acetate,CC(=O)OCC1=CC=CC=C1,"InChI=1S/C9H10O2/c1-8(10)11-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3",C9H10O2,150.0680796
727,"4-(1,1,3,3-Tetramethylbutyl)phenol",140-66-9,DTXSID9022360,8814,"4-(1,1,3,3-Tetramethylbutyl)phenol",ISAVYTVYFVQUDY-UHFFFAOYSA-N,"4-(2,4,4-Trimethylpentan-2-yl)phenol",CC(C)(C)CC(C)(C)C1=CC=C(O)C=C1,"InChI=1S/C14H22O/c1-13(2,3)10-14(4,5)11-6-8-12(15)9-7-11/h6-9,15H,10H2,1-5H3",C14H22O,206.1670653
728,Estragole,140-67-0,DTXSID0020575,8815,Estragole,ZFMSMUAANRJZFM-UHFFFAOYSA-N,1-Methoxy-4-(prop-2-en-1-yl)benzene,COC1=CC=C(CC=C)C=C1,"InChI=1S/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3,5-8H,1,4H2,2H3",C10H12O,148.088815
729,Ethyl acrylate,140-88-5,DTXSID4020583,8821,Ethyl acrylate,JIGUQPWFLRLWPJ-UHFFFAOYSA-N,Ethyl prop-2-enoate,CCOC(=O)C=C,"InChI=1S/C5H8O2/c1-3-5(6)7-4-2/h3H,1,4H2,2H3",C5H8O2,100.0524295
730,"(5S)-3-[(9R)-9-Hydroxy-9-[(2R,2?R,5R,5?R)-octahydro-5?-[(1S)-1-hydroxypentadecyl][2,2?-bifuran]-5-yl]nonyl]-5-methyl-2(5H)-furanone (ACI)",1400908-34-0,,118726383,"(5S)-3-[(9R)-9-Hydroxy-9-[(2R,2?R,5R,5?R)-octahydro-5?-[(1S)-1-hydroxypentadecyl][2,2?-bifuran]-5-yl]nonyl]-5-methyl-2(5H)-furanone (ACI)",KUTVANUVEXPGGN-HJPPHTJLSA-N,"(2S)-4-[(9R)-9-hydroxy-9-[(2R,5R)-5-[(2R,5R)-5-[(1S)-1-hydroxypentadecyl]oxolan-2-yl]oxolan-2-yl]nonyl]-2-methyl-2H-furan-5-one",O=C1OC(C=C1CCCCCCCCC(O)C2OC(CC2)C3OC(CC3)C(O)CCCCCCCCCCCCCC)C,"InChI=1S/C37H66O6/c1-3-4-5-6-7-8-9-10-11-12-16-19-22-31(38)33-24-26-35(42-33)36-27-25-34(43-36)32(39)23-20-17-14-13-15-18-21-30-28-29(2)41-37(30)40/h28-29,31-36,38-39H,3-27H2,1-2H3",C37H66O6,606.486
731,"Benzoic acid, 4-(3,4,8,9,10,11,12,13,14,15-decahydro-5-hydroxy-8-methyl-2,6,12-trioxo-2H,6H-pyrano[2,3-o][2]benzoxacyclotetradecin-4-yl)-, methyl ester (ZCI)",1401611-59-3,,71831304,"Benzoic acid, 4-(3,4,8,9,10,11,12,13,14,15-decahydro-5-hydroxy-8-methyl-2,6,12-trioxo-2H,6H-pyrano[2,3-o][2]benzoxacyclotetradecin-4-yl)-, methyl ester (ZCI)",PPTKLYXZYIJXTH-UHFFFAOYSA-N,"methyl 4-(22-hydroxy-4-methyl-2,8,18-trioxo-3,17-dioxatricyclo[12.8.0.016,21]docosa-1(22),12,14,16(21)-tetraen-20-yl)benzoate",O=C(OC)C1=CC=C(C=C1)C2C=3C(OC(=O)C2)=CC=4C=CCCCC(=O)CCCC(OC(=O)C4C3O)C,"InChI=1S/C29H30O8/c1-17-7-6-10-21(30)9-5-3-4-8-20-15-23-26(27(32)25(20)29(34)36-17)22(16-24(31)37-23)18-11-13-19(14-12-18)28(33)35-2/h4,8,11-15,17,22,32H,3,5-7,9-10,16H2,1-2H3",C29H30O8,506.194
732,"1-(3,5-Di-tert-butyl-4-hydroxyphenyl)ethan-1-one",14035-33-7,DTXSID30346908,616296,"1-(3,5-Di-tert-butyl-4-hydroxyphenyl)ethan-1-one",WGJPGMJLARWHRK-UHFFFAOYSA-N,"1-(3,5-Di-tert-butyl-4-hydroxyphenyl)ethan-1-one",CC(=O)C1=CC(=C(O)C(=C1)C(C)(C)C)C(C)(C)C,"InChI=1S/C16H24O2/c1-10(17)11-8-12(15(2,3)4)14(18)13(9-11)16(5,6)7/h8-9,18H,1-7H3",C16H24O2,248.17763
733,"2,6-Bis(1,1-dimethylethyl)-4-(1-oxopropyl)phenol",14035-34-8,DTXSID60880688,616172,"2,6-Bis(1,1-dimethylethyl)-4-(1-oxopropyl)phenol",JGJQYHBWTHQSPR-UHFFFAOYSA-N,"1-(3,5-Di-tert-butyl-4-hydroxyphenyl)propan-1-one",CCC(=O)C1=CC(=C(O)C(=C1)C(C)(C)C)C(C)(C)C,"InChI=1S/C17H26O2/c1-8-14(18)11-9-12(16(2,3)4)15(19)13(10-11)17(5,6)7/h9-10,19H,8H2,1-7H3",C17H26O2,262.1932801
734,"(2S,5R)-2-Isopropyl-5-methylcyclohexan-1-one",14073-97-3,DTXSID3044384,26447,"(2S,5R)-2-Isopropyl-5-methylcyclohexan-1-one",NFLGAXVYCFJBMK-BDAKNGLRSA-N,"(2S,5R)-5-Methyl-2-(propan-2-yl)cyclohexan-1-one",CC(C)[C@@H]1CC[C@@H](C)CC1=O,"InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-9H,4-6H2,1-3H3/t8-,9+/m1/s1",C10H18O,154.1357652
735,2-Ethylhexyl fumarate,141-02-6,DTXSID2051710,5370325,2-Ethylhexyl fumarate,ROPXFXOUUANXRR-BUHFOSPRSA-N,Bis(2-ethylhexyl) (2E)-but-2-enedioate,CCCCC(CC)COC(=O)\C=C\C(=O)OCC(CC)CCCC,"InChI=1S/C20H36O4/c1-5-9-11-17(7-3)15-23-19(21)13-14-20(22)24-16-18(8-4)12-10-6-2/h13-14,17-18H,5-12,15-16H2,1-4H3/b14-13+",C20H36O4,340.2613596
736,Dibutyl butanedioate,141-03-7,DTXSID7021998,8830,Dibutyl butanedioate,YUXIBTJKHLUKBD-UHFFFAOYSA-N,Dibutyl butanedioate,CCCCOC(=O)CCC(=O)OCCCC,"InChI=1S/C12H22O4/c1-3-5-9-15-11(13)7-8-12(14)16-10-6-4-2/h3-10H2,1-2H3",C12H22O4,230.1518092
737,Diisobutyl adipate,141-04-8,DTXSID9036690,8831,Diisobutyl adipate,RDOFJDLLWVCMRU-UHFFFAOYSA-N,Bis(2-methylpropyl) hexanedioate,CC(C)COC(=O)CCCCC(=O)OCC(C)C,"InChI=1S/C14H26O4/c1-11(2)9-17-13(15)7-5-6-8-14(16)18-10-12(3)4/h11-12H,5-10H2,1-4H3",C14H26O4,258.1831093
738,Diethyl maleate,141-05-9,DTXSID8020464,5271566,Diethyl maleate,IEPRKVQEAMIZSS-WAYWQWQTSA-N,Diethyl (2Z)-but-2-enedioate,CCOC(=O)\C=C/C(=O)OCC,"InChI=1S/C8H12O4/c1-3-11-7(9)5-6-8(10)12-4-2/h5-6H,3-4H2,1-2H3/b6-5-",C8H12O4,172.0735589
739,"(9Z,12R)-12-Hydroxyoctadec-9-enoic acid",141-22-0,DTXSID0041567,643684,"(9Z,12R)-12-Hydroxyoctadec-9-enoic acid",WBHHMMIMDMUBKC-QJWNTBNXSA-N,"(9Z,12R)-12-Hydroxyoctadec-9-enoic acid",CCCCCC[C@@H](O)C\C=C/CCCCCCCC(O)=O,"InChI=1S/C18H34O3/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21/h9,12,17,19H,2-8,10-11,13-16H2,1H3,(H,20,21)/b12-9-/t17-/m1/s1",C18H34O3,298.250795
740,Diethyl hexanedioate,141-28-6,DTXSID2021999,8844,Diethyl hexanedioate,VIZORQUEIQEFRT-UHFFFAOYSA-N,Diethyl hexanedioate,CCOC(=O)CCCCC(=O)OCC,"InChI=1S/C10H18O4/c1-3-13-9(11)7-5-6-8-10(12)14-4-2/h3-8H2,1-2H3",C10H18O4,202.1205091
741,Butyl acrylate,141-32-2,DTXSID6024676,8846,Butyl acrylate,CQEYYJKEWSMYFG-UHFFFAOYSA-N,Butyl prop-2-enoate,CCCCOC(=O)C=C,"InChI=1S/C7H12O2/c1-3-5-6-9-7(8)4-2/h4H,2-3,5-6H2,1H3",C7H12O2,128.0837296
742,Dodecamethylpentasiloxane,141-63-9,DTXSID1044803,8853,Dodecamethylpentasiloxane,FBZANXDWQAVSTQ-UHFFFAOYSA-N,Dodecamethylpentasiloxane,C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C,"InChI=1S/C12H36O4Si5/c1-17(2,3)13-19(7,8)15-21(11,12)16-20(9,10)14-18(4,5)6/h1-12H3",C12H36O4Si5,384.1459923
743,Ethyl acetate,141-78-6,DTXSID1022001,8857,Ethyl acetate,XEKOWRVHYACXOJ-UHFFFAOYSA-N,Ethyl acetate,CCOC(C)=O,"InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3",C4H8O2,88.0524295
744,4-Methylpent-3-en-2-one,141-79-7,DTXSID1029170,8858,4-Methylpent-3-en-2-one,SHOJXDKTYKFBRD-UHFFFAOYSA-N,4-Methylpent-3-en-2-one,CC(C)=CC(C)=O,"InChI=1S/C6H10O/c1-5(2)4-6(3)7/h4H,1-3H3",C6H10O,98.07316494
745,"(2R,6S,12Z,13aS,14aR,16aS)-N-(Cyclopropylsulfonyl)-2-[[2-(4-cyclopropyl-2-thiazolyl)-7-methoxy-8-methyl-4-quinolinyl]oxy]-1,2,3,6,7,8,9,10,11,13a,14,15,16,16a-tetradecahydro-6-[[(1-methoxycyclopropyl)carbonyl]amino]-5,16-dioxocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14a(5H)-carboxamide (ACI)",1415661-68-5,,71452600,"(2R,6S,12Z,13aS,14aR,16aS)-N-(Cyclopropylsulfonyl)-2-[[2-(4-cyclopropyl-2-thiazolyl)-7-methoxy-8-methyl-4-quinolinyl]oxy]-1,2,3,6,7,8,9,10,11,13a,14,15,16,16a-tetradecahydro-6-[[(1-methoxycyclopropyl)carbonyl]amino]-5,16-dioxocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14a(5H)-carboxamide (ACI)",DSCSIMLJONNFLK-XAVWRCTASA-N,"(1S,4R,6S,7Z,14S,18R)-N-cyclopropylsulfonyl-18-[2-(4-cyclopropyl-1,3-thiazol-2-yl)-7-methoxy-8-methylquinolin-4-yl]oxy-14-[(1-methoxycyclopropanecarbonyl)amino]-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide",O=C1NC2(C(=O)NS(=O)(=O)C3CC3)CC2C=CCCCCCC(NC(=O)C4(OC)CC4)C(=O)N5CC(OC6=CC(=NC=7C6=CC=C(OC)C7C)C8=NC(=CS8)C9CC9)CC15,"InChI=1S/C43H52N6O9S2/c1-24-34(56-2)16-15-29-35(20-31(44-36(24)29)38-45-32(23-59-38)25-11-12-25)58-27-19-33-37(50)47-43(41(53)48-60(54,55)28-13-14-28)21-26(43)9-7-5-4-6-8-10-30(39(51)49(33)22-27)46-40(52)42(57-3)17-18-42/h7,9,15-16,20,23,25-28,30,33H,4-6,8,10-14,17-19,21-22H2,1-3H3,(H,46,52)(H,47,50)(H,48,53)",C43H52N6O9S2,860.324
746,5-Nonadecen-1-ol (ACI),1416318-97-2,,557125,5-Nonadecen-1-ol (ACI),BTJASUXQNVKCMG-UHFFFAOYSA-N,nonadec-5-en-1-ol,OCCCCC=CCCCCCCCCCCCCC,"InChI=1S/C19H38O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20/h14-15,20H,2-13,16-19H2,1H3",C19H38O,282.292
747,"?-D-Glucopyranoside, 3,6-bis-O-[(2E)-3-[4-(acetyloxy)phenyl]-1-oxo-2-propen-1-yl]-?-D-fructofuranosyl, 6-[(2E)-3-[4-(acetyloxy)-3-methoxyphenyl]-2-propenoate] (ACI)",1416448-13-9,,71456530,"?-D-Glucopyranoside, 3,6-bis-O-[(2E)-3-[4-(acetyloxy)phenyl]-1-oxo-2-propen-1-yl]-?-D-fructofuranosyl, 6-[(2E)-3-[4-(acetyloxy)-3-methoxyphenyl]-2-propenoate] (ACI)",VIPIXLUHRGPWBE-UIOXCZHMSA-N,"[(2R,3R,4S,5S)-5-[(2R,3R,4S,5S,6R)-6-[[(E)-3-(4-acetyloxy-3-methoxyphenyl)prop-2-enoyl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-[(E)-3-(4-acetyloxyphenyl)prop-2-enoyl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl (E)-3-(4-acetyloxyphenyl)prop-2-enoate",O=C(OCC1OC(OC2OC(COC(=O)C=CC3=CC=C(OC(=O)C)C(OC)=C3)C(O)C(O)C2O)(CO)C(OC(=O)C=CC4=CC=C(OC(=O)C)C=C4)C1O)C=CC5=CC=C(OC(=O)C)C=C5,"InChI=1S/C46H48O21/c1-25(48)61-31-13-5-28(6-14-31)10-18-37(51)60-23-36-41(55)44(65-39(53)20-11-29-7-15-32(16-8-29)62-26(2)49)46(24-47,66-36)67-45-43(57)42(56)40(54)35(64-45)22-59-38(52)19-12-30-9-17-33(63-27(3)50)34(21-30)58-4/h5-21,35-36,40-45,47,54-57H,22-24H2,1-4H3",C46H48O21,936.269
748,Tetratriacontane,14167-59-0,DTXSID7058622,26519,Tetratriacontane,GWVDBZWVFGFBCN-UHFFFAOYSA-N,Tetratriacontane,CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C34H70/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-34H2,1-2H3",C34H70,478.5477523
749,"Hexadecenamide (9CI, ACI)",141752-51-4,,,"Hexadecenamide (9CI, ACI)",,,,,,
750,"Methyl 4,7,10,13-hexadecatetraenoate (ACI)",1417890-65-3,,71413142,"Methyl 4,7,10,13-hexadecatetraenoate (ACI)",GRTBKGOZZPTTEE-UHFFFAOYSA-N,"methyl hexadeca-4,7,10,13-tetraenoate",O=C(OC)CCC=CCC=CCC=CCC=CCC,"InChI=1S/C17H26O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19-2/h4-5,7-8,10-11,13-14H,3,6,9,12,15-16H2,1-2H3",C17H26O2,262.193
751,"1,6,13,18-Tetraoxacyclotetracosane-2,5,14,17-tetrone",141850-18-2,DTXSID30566760,15000760,"1,6,13,18-Tetraoxacyclotetracosane-2,5,14,17-tetrone",XILZQFDAUSKCSV-UHFFFAOYSA-N,"1,6,13,18-Tetraoxacyclotetracosane-2,5,14,17-tetrone",O=C1CCC(=O)OCCCCCCOC(=O)CCC(=O)OCCCCCCO1,InChI=1S/C20H32O8/c21-17-9-10-19(23)27-15-7-3-4-8-16-28-20(24)12-11-18(22)26-14-6-2-1-5-13-25-17/h1-16H2,C20H32O8,400.209718
752,Bis(2-ethylhexyl) maleate,142-16-5,DTXSID2027094,5365125,Bis(2-ethylhexyl) maleate,ROPXFXOUUANXRR-YPKPFQOOSA-N,Bis(2-ethylhexyl) (2Z)-but-2-enedioate,CCCCC(CC)COC(=O)\C=C/C(=O)OCC(CC)CCCC,"InChI=1S/C20H36O4/c1-5-9-11-17(7-3)15-23-19(21)13-14-20(22)24-16-18(8-4)12-10-6-2/h13-14,17-18H,5-12,15-16H2,1-4H3/b14-13-",C20H36O4,340.2613596
753,Prop-2-en-1-yl heptanoate,142-19-8,DTXSID3044754,8878,Prop-2-en-1-yl heptanoate,SJWKGDGUQTWDRV-UHFFFAOYSA-N,Prop-2-en-1-yl heptanoate,CCCCCCC(=O)OCC=C,"InChI=1S/C10H18O2/c1-3-5-6-7-8-10(11)12-9-4-2/h4H,2-3,5-9H2,1H3",C10H18O2,170.1306798
754,"1,3-Dichloropropane",142-28-9,DTXSID6022004,8881,"1,3-Dichloropropane",YHRUOJUYPBUZOS-UHFFFAOYSA-N,"1,3-Dichloropropane",ClCCCCl,InChI=1S/C3H6Cl2/c4-2-1-3-5/h1-3H2,C3H6Cl2,111.9846556
755,"Propanoic acid, octyl ester",142-60-9,DTXSID3059717,61096,"Propanoic acid, octyl ester",CEQGYPPMTKWBIU-UHFFFAOYSA-N,Octyl propanoate,CCCCCCCCOC(=O)CC,"InChI=1S/C11H22O2/c1-3-5-6-7-8-9-10-13-11(12)4-2/h3-10H2,1-2H3",C11H22O2,186.1619799
756,Hexanoic acid,142-62-1,DTXSID7021607,8892,Hexanoic acid,FUZZWVXGSFPDMH-UHFFFAOYSA-N,Hexanoic acid,CCCCCC(O)=O,"InChI=1S/C6H12O2/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H,7,8)",C6H12O2,116.0837296
758,Heptane,142-82-5,DTXSID6024127,8900,Heptane,IMNFDUFMRHMDMM-UHFFFAOYSA-N,Heptane,CCCCCCC,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3",C7H16,100.1252005
759,Dodecyl 2-methylacrylate,142-90-5,DTXSID4027103,8906,Dodecyl 2-methylacrylate,GMSCBRSQMRDRCD-UHFFFAOYSA-N,Dodecyl 2-methylprop-2-enoate,CCCCCCCCCCCCOC(=O)C(C)=C,"InChI=1S/C16H30O2/c1-4-5-6-7-8-9-10-11-12-13-14-18-16(17)15(2)3/h2,4-14H2,1,3H3",C16H30O2,254.2245802
760,"Hexadecanoic acid, 1-methylethyl ester",142-91-6,DTXSID9027104,8907,"Hexadecanoic acid, 1-methylethyl ester",XUGNVMKQXJXZCD-UHFFFAOYSA-N,Propan-2-yl hexadecanoate,CCCCCCCCCCCCCCCC(=O)OC(C)C,"InChI=1S/C19H38O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(20)21-18(2)3/h18H,4-17H2,1-3H3",C19H38O2,298.2871805
761,Hexyl acetate,142-92-7,DTXSID6022006,8908,Hexyl acetate,AOGQPLXWSUTHQB-UHFFFAOYSA-N,Hexyl acetate,CCCCCCOC(C)=O,"InChI=1S/C8H16O2/c1-3-4-5-6-7-10-8(2)9/h3-7H2,1-2H3",C8H16O2,144.1150298
762,"Benzoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-",1421-49-4,DTXSID3061683,15007,"Benzoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-",YEXOWHQZWLCHHD-UHFFFAOYSA-N,"3,5-Di-tert-butyl-4-hydroxybenzoic acid",CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(O)=O,"InChI=1S/C15H22O3/c1-14(2,3)10-7-9(13(17)18)8-11(12(10)16)15(4,5)6/h7-8,16H,1-6H3,(H,17,18)",C15H22O3,250.1568946
763,"Acetic acid, 2-(dimethylamino)ethyl ester",1421-89-2,DTXSID8061684,15013,"Acetic acid, 2-(dimethylamino)ethyl ester",GOLSFPMYASLXJC-UHFFFAOYSA-N,2-(Dimethylamino)ethyl acetate,CN(C)CCOC(C)=O,"InChI=1S/C6H13NO2/c1-6(8)9-5-4-7(2)3/h4-5H2,1-3H3",C6H13NO2,131.0946287
764,"cholesta-4,6-dien-3-ol, (3.beta.)-",14214-69-8,DTXSID40880722,14795191,"cholesta-4,6-dien-3-ol, (3.beta.)-",KIULDMFHZZHYKZ-DPAQBDIFSA-N,"Cholesta-4,6-dien-3beta-ol",CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C=CC4=C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,"InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9-10,17-19,21-25,28H,6-8,11-16H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1",C27H44O,384.339216
765,"D-ribo-Pentaric acid, 2-C-dodecyl-3-C-(methoxycarbonyl)-, 5,2-lactone, 1-methyl ester (ACI)",1426147-45-6,,102493993,"D-ribo-Pentaric acid, 2-C-dodecyl-3-C-(methoxycarbonyl)-, 5,2-lactone, 1-methyl ester (ACI)",BFUVAPHBPBKRRA-XPGWFJOJSA-N,"dimethyl (2R,3R,4S)-2-dodecyl-3,4-dihydroxy-5-oxooxolane-2,3-dicarboxylate",O=C1OC(C(=O)OC)(CCCCCCCCCCCC)C(O)(C(=O)OC)C1O,"InChI=1S/C20H34O8/c1-4-5-6-7-8-9-10-11-12-13-14-19(17(23)26-2)20(25,18(24)27-3)15(21)16(22)28-19/h15,21,25H,4-14H2,1-3H3",C20H34O8,402.225
766,Phosphate,14265-44-2,DTXSID7039672,1061,Phosphate,NBIIXXVUZAFLBC-UHFFFAOYSA-K,Phosphate,[O-]P([O-])([O-])=O,"InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3",O4P,94.95506622
767,"2,3-Dimethylbutanoic acid",14287-61-7,DTXSID70871229,26608,"2,3-Dimethylbutanoic acid",XFOASZQZPWEJAA-UHFFFAOYSA-N,"2,3-Dimethylbutanoic acid",CC(C)C(C)C(O)=O,"InChI=1S/C6H12O2/c1-4(2)5(3)6(7)8/h4-5H,1-3H3,(H,7,8)",C6H12O2,116.0837296
768,Isodaucene,142878-08-8,,21592365,Isodaucene,RLNLRKHTQIXWHM-ILXRZTDVSA-N,"(3S,3aS,8aR)-6,8a-dimethyl-3-prop-1-en-2-yl-2,3,3a,4,5,8-hexahydro-1H-azulene",C=C(C)C1CCC2(C)CC=C(C)CCC12,"InChI=1S/C15H24/c1-11(2)13-8-10-15(4)9-7-12(3)5-6-14(13)15/h7,13-14H,1,5-6,8-10H2,2-4H3",C15H24,204.188
769,"Tetradecanoic acid, 2-(acetyloxy)-1-[(acetyloxy)methyl]ethyl ester (9CI)",14290-23-4,,539937,"Tetradecanoic acid, 2-(acetyloxy)-1-[(acetyloxy)methyl]ethyl ester (9CI)",YNTJMPOFIBDASR-UHFFFAOYSA-N,"1,3-diacetyloxypropan-2-yl tetradecanoate",O=C(OCC(OC(=O)CCCCCCCCCCCCC)COC(=O)C)C,"InChI=1S/C21H38O6/c1-4-5-6-7-8-9-10-11-12-13-14-15-21(24)27-20(16-25-18(2)22)17-26-19(3)23/h20H,4-17H2,1-3H3",C21H38O6,386.267
770,Dodecanoic acid,143-07-7,DTXSID5021590,3893,Dodecanoic acid,POULHZVOKOAJMA-UHFFFAOYSA-N,Dodecanoic acid,CCCCCCCCCCCC(O)=O,"InChI=1S/C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H,13,14)",C12H24O2,200.17763
771,1-Nonanol,143-08-8,DTXSID6022008,8914,1-Nonanol,ZWRUINPWMLAQRD-UHFFFAOYSA-N,Nonan-1-ol,CCCCCCCCCO,"InChI=1S/C9H20O/c1-2-3-4-5-6-7-8-9-10/h10H,2-9H2,1H3",C9H20O,144.1514153
772,1-Bromododecane,143-15-7,DTXSID2044395,8919,1-Bromododecane,PBLNBZIONSLZBU-UHFFFAOYSA-N,1-Bromododecane,CCCCCCCCCCCCBr,"InChI=1S/C12H25Br/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-12H2,1H3",C12H25Br,248.113964
773,2-[2-(2-Butoxyethoxy)ethoxy]ethanol,143-22-6,DTXSID7021520,8923,2-[2-(2-Butoxyethoxy)ethoxy]ethanol,COBPKKZHLDDMTB-UHFFFAOYSA-N,2-[2-(2-Butoxyethoxy)ethoxy]ethan-1-ol,CCCCOCCOCCOCCO,"InChI=1S/C10H22O4/c1-2-3-5-12-7-9-14-10-8-13-6-4-11/h11H,2-10H2,1H3",C10H22O4,206.1518092
774,2-Methylfluorene,1430-97-3,DTXSID1073943,15026,2-Methylfluorene,RKJHJMAZNPASHY-UHFFFAOYSA-N,2-Methyl-9H-fluorene,CC1=CC2=C(C=C1)C1=C(C2)C=CC=C1,"InChI=1S/C14H12/c1-10-6-7-14-12(8-10)9-11-4-2-3-5-13(11)14/h2-8H,9H2,1H3",C14H12,180.0939004
775,Propyl myristate,14303-70-9,DTXSID20162295,84338,Propyl myristate,DPBVJRXPSXTHOL-UHFFFAOYSA-N,Propyl tetradecanoate,CCCCCCCCCCCCCC(=O)OCCC,"InChI=1S/C17H34O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-17(18)19-16-4-2/h3-16H2,1-2H3",C17H34O2,270.2558803
776,"(1R,2R,5S)-5-[(1R)-1,5-Dimethyl-4-hexen-1-yl]-2-methylbicyclo[3.1.0]hexan-2-ol (ACI)",1431636-60-0,,,"(1R,2R,5S)-5-[(1R)-1,5-Dimethyl-4-hexen-1-yl]-2-methylbicyclo[3.1.0]hexan-2-ol (ACI)",IRDFGGRWKUKANK-BARDWOONSA-N,,OC1(C)CCC2(CC12)C(C)CCC=C(C)C,"InChI=1S/C15H26O/c1-11(2)6-5-7-12(3)15-9-8-14(4,16)13(15)10-15/h6,12-13,16H,5,7-10H2,1-4H3",,
777,Dimethyl[(9Z)-octadec-9-en-1-yl]amine oxide,14351-50-9,DTXSID6051722,6435847,Dimethyl[(9Z)-octadec-9-en-1-yl]amine oxide,QCTZUSWOKFCWNB-QXMHVHEDSA-N,"(9Z)-N,N-Dimethyloctadec-9-en-1-amine N-oxide",CCCCCCCC\C=C/CCCCCCCC[N+](C)(C)[O-],"InChI=1S/C20H41NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(2,3)22/h11-12H,4-10,13-20H2,1-3H3/b12-11-",C20H41NO,311.3188149
778,Quinoline-2-carbonitrile,1436-43-7,DTXSID00162475,74031,Quinoline-2-carbonitrile,WDXARTMCIRVMAE-UHFFFAOYSA-N,Quinoline-2-carbonitrile,N#CC1=NC2=CC=CC=C2C=C1,InChI=1S/C10H6N2/c11-7-9-6-5-8-3-1-2-4-10(8)12-9/h1-6H,C10H6N2,154.0530982
779,Ethyl 3-[(3-pentyl-2-oxiranyl)methyl]-2-oxiraneoctanoate (ACI),1436435-13-0,,91205583,Ethyl 3-[(3-pentyl-2-oxiranyl)methyl]-2-oxiraneoctanoate (ACI),HPGHRGIPHODCEW-UHFFFAOYSA-N,ethyl 8-[3-[(3-pentyloxiran-2-yl)methyl]oxiran-2-yl]octanoate,O=C(OCC)CCCCCCCC1OC1CC2OC2CCCCC,"InChI=1S/C20H36O4/c1-3-5-9-12-16-18(23-16)15-19-17(24-19)13-10-7-6-8-11-14-20(21)22-4-2/h16-19H,3-15H2,1-2H3",C20H36O4,340.261
780,(2E)-3-Phenylprop-2-enal,14371-10-9,DTXSID6024834,637511,(2E)-3-Phenylprop-2-enal,KJPRLNWUNMBNBZ-QPJJXVBHSA-N,(2E)-3-Phenylprop-2-enal,O=C\C=C\C1=CC=CC=C1,InChI=1S/C9H8O/c10-8-4-7-9-5-2-1-3-6-9/h1-8H/b7-4+,C9H8O,132.0575149
781,"2,3,4,6-Tetrabromophenol",14400-94-3,DTXSID60162597,26665,"2,3,4,6-Tetrabromophenol",CXPJZISGVIVNEL-UHFFFAOYSA-N,"2,3,4,6-Tetrabromophenol",OC1=C(Br)C(Br)=C(Br)C=C1Br,"InChI=1S/C6H2Br4O/c7-2-1-3(8)6(11)5(10)4(2)9/h1,11H",C6H2Br4O,405.683917
782,"Phenol, 2,4,5-tribromo-",14401-61-7,DTXSID30162600,32931,"Phenol, 2,4,5-tribromo-",XPUSKKJATQFMBF-UHFFFAOYSA-N,"2,4,5-Tribromophenol",OC1=CC(Br)=C(Br)C=C1Br,"InChI=1S/C6H3Br3O/c7-3-1-5(9)6(10)2-4(3)8/h1-2,10H",C6H3Br3O,327.773404
783,"N,N-Dimethyldecan-1-amide",14433-76-2,DTXSID1027764,26690,"N,N-Dimethyldecan-1-amide",HNXNKTMIVROLTK-UHFFFAOYSA-N,"N,N-Dimethyldecanamide",CCCCCCCCCC(=O)N(C)C,"InChI=1S/C12H25NO/c1-4-5-6-7-8-9-10-11-12(14)13(2)3/h4-11H2,1-3H3",C12H25NO,199.1936144
784,"Tricyclo(3.3.1.13,7)decane, 2-ethyl-",14451-87-7,DTXSID60162739,139758,"Tricyclo(3.3.1.13,7)decane, 2-ethyl-",LIAWCKFOFPPVGF-UHFFFAOYSA-N,2-Ethyladamantane,[H]C12CC3([H])CC([H])(C1)C(CC)C([H])(C2)C3,"InChI=1S/C12H20/c1-2-12-10-4-8-3-9(6-10)7-11(12)5-8/h8-12H,2-7H2,1H3",C12H20,164.1565006
785,"rel-Ethyl (4R,5R)-4,5-dihydro-5-[4-(methylsulfonyl)phenyl]-2,4-diphenyl-1-(phenylmethyl)-1H-imidazole-4-carboxylate (ACI)",1446350-42-0,,,"rel-Ethyl (4R,5R)-4,5-dihydro-5-[4-(methylsulfonyl)phenyl]-2,4-diphenyl-1-(phenylmethyl)-1H-imidazole-4-carboxylate (ACI)",DBUWXLWBFHTZCV-VOQQNWBXNA-N,,O=C(OCC)C1(N=C(C=2C=CC=CC2)N(CC=3C=CC=CC3)C1C4=CC=C(C=C4)S(=O)(=O)C)C=5C=CC=CC5,"InChI=1S/C32H30N2O4S/c1-3-38-31(35)32(27-17-11-6-12-18-27)29(25-19-21-28(22-20-25)39(2,36)37)34(23-24-13-7-4-8-14-24)30(33-32)26-15-9-5-10-16-26/h4-22,29H,3,23H2,1-2H3",,
786,Nonadecan-1-ol,1454-84-8,DTXSID90870875,80281,Nonadecan-1-ol,XGFDHKJUZCCPKQ-UHFFFAOYSA-N,Nonadecan-1-ol,CCCCCCCCCCCCCCCCCCCO,"InChI=1S/C19H40O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20/h20H,2-19H2,1H3",C19H40O,284.3079159
787,Heptadecan-1-ol,1454-85-9,DTXSID3051460,15076,Heptadecan-1-ol,GOQYKNQRPGWPLP-UHFFFAOYSA-N,Heptadecan-1-ol,CCCCCCCCCCCCCCCCCO,"InChI=1S/C17H36O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18/h18H,2-17H2,1H3",C17H36O,256.2766158
788,"Dodecanedioic acid, polymer with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol and 1,6-hexanediol",145556-03-2,DTXSID00106637,,"Dodecanedioic acid, polymer with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol and 1,6-hexanediol",,,,,,
789,"(3aR,4R,7R,8S,9S,10R,11R,13R,16R,16aR)-8-[[2,6-Dideoxy-3-C-methyl-3-O-methyl-4-O-[[[[1-(phenylmethyl)-1H-1,2,3-triazol-4-yl]methyl]amino]carbonyl]-?-L-ribo-hexopyranosyl]oxy]-4-ethyldodecahydro-11-hydroxy-3a,7,9,11,13,15,16-heptamethyl-10-[[3,4,6-trideoxy-3-(dimethylamino)-?-D-xylo-hexopyranosyl]oxy]-1,3-dioxolo[4,5-c][1,6]oxaazacyclopentadecine-2,6(4H)-dione (ACI)",1456814-96-2,,137632153,"(3aR,4R,7R,8S,9S,10R,11R,13R,16R,16aR)-8-[[2,6-Dideoxy-3-C-methyl-3-O-methyl-4-O-[[[[1-(phenylmethyl)-1H-1,2,3-triazol-4-yl]methyl]amino]carbonyl]-?-L-ribo-hexopyranosyl]oxy]-4-ethyldodecahydro-11-hydroxy-3a,7,9,11,13,15,16-heptamethyl-10-[[3,4,6-trideoxy-3-(dimethylamino)-?-D-xylo-hexopyranosyl]oxy]-1,3-dioxolo[4,5-c][1,6]oxaazacyclopentadecine-2,6(4H)-dione (ACI)",BEOQOPKMDUHOCQ-KLDVFCRPSA-N,"[(2S,3S,4R,6R)-6-[[(1R,2R,5R,6S,7S,8R,9R,11R,14R,15R)-8-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-9-hydroxy-1,5,7,9,11,13,14-heptamethyl-4,17-dioxo-3,16,18-trioxa-13-azabicyclo[13.3.0]octadecan-6-yl]oxy]-4-methoxy-2,4-dimethyloxan-3-yl] N-[(1-benzyltriazol-4-yl)methyl]carbamate",O=C1OC2C(N(C)CC(C)CC(O)(C)C(OC3OC(C)CC(N(C)C)C3O)C(C)C(OC4OC(C)C(OC(=O)NCC=5N=NN(C5)CC=6C=CC=CC6)C(OC)(C)C4)C(C(=O)OC(CC)C2(O1)C)C)C,"InChI=1S/C50H80N6O14/c1-15-37-50(10)42(69-47(60)70-50)32(6)55(13)25-28(2)22-48(8,61)41(67-45-39(57)36(54(11)12)21-29(3)63-45)30(4)40(31(5)44(58)65-37)66-38-23-49(9,62-14)43(33(7)64-38)68-46(59)51-24-35-27-56(53-52-35)26-34-19-17-16-18-20-34/h16-20,27-33,36-43,45,57,61H,15,21-26H2,1-14H3,(H,51,59)",C50H80N6O14,988.573
790,"?-Alanine, N-[N-[N-(N-L-leucyl-L-leucyl)-2-methylalanyl]-2-methylalanyl]-, 1,1-dimethylethyl ester (9CI)",145730-78-5,,11813548,"?-Alanine, N-[N-[N-(N-L-leucyl-L-leucyl)-2-methylalanyl]-2-methylalanyl]-, 1,1-dimethylethyl ester (9CI)",DMYXXLHGROPUMW-OALUTQOASA-N,tert-butyl 3-[[2-[[2-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]propanoate,O=C(OC(C)(C)C)CCNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(N)CC(C)C)CC(C)C)(C)C)(C)C,"InChI=1S/C27H51N5O6/c1-16(2)14-18(28)21(34)30-19(15-17(3)4)22(35)31-27(10,11)24(37)32-26(8,9)23(36)29-13-12-20(33)38-25(5,6)7/h16-19H,12-15,28H2,1-11H3,(H,29,36)(H,30,34)(H,31,35)(H,32,37)",C27H51N5O6,541.384
791,Tetradecylbenzene,1459-10-5,DTXSID1051729,15086,Tetradecylbenzene,JZALLXAUNPOCEU-UHFFFAOYSA-N,Tetradecylbenzene,CCCCCCCCCCCCCCC1=CC=CC=C1,"InChI=1S/C20H34/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-20-18-15-13-16-19-20/h13,15-16,18-19H,2-12,14,17H2,1H3",C20H34,274.2660511
792,Dimethyl isophthalate,1459-93-4,DTXSID8027402,15088,Dimethyl isophthalate,VNGOYPQMJFJDLV-UHFFFAOYSA-N,"Dimethyl benzene-1,3-dicarboxylate",COC(=O)C1=CC(=CC=C1)C(=O)OC,"InChI=1S/C10H10O4/c1-13-9(11)7-4-3-5-8(6-7)10(12)14-2/h3-6H,1-2H3",C10H10O4,194.0579088
793,"1,3,5-Tri-tert-butylbenzene",1460-02-2,DTXSID50163255,15089,"1,3,5-Tri-tert-butylbenzene",GUFMBISUSZUUCB-UHFFFAOYSA-N,"1,3,5-Tri-tert-butylbenzene",CC(C)(C)C1=CC(=CC(=C1)C(C)(C)C)C(C)(C)C,"InChI=1S/C18H30/c1-16(2,3)13-10-14(17(4,5)6)12-15(11-13)18(7,8)9/h10-12H,1-9H3",C18H30,246.234751
794,"benzene, 1-(1,5-dimethylhexyl)-4-methyl-",1461-02-5,DTXSID00880728,577053,"benzene, 1-(1,5-dimethylhexyl)-4-methyl-",GVCHCLNHTASCCP-UHFFFAOYSA-N,1-Methyl-4-(6-methylheptan-2-yl)benzene,CC(C)CCCC(C)C1=CC=C(C)C=C1,"InChI=1S/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h8-12,14H,5-7H2,1-4H3",C15H24,204.1878008
795,Tributyltin chloride,1461-22-9,DTXSID3027403,15096,Tributyltin chloride,GCTFWCDSFPMHHS-UHFFFAOYSA-M,Tributyl(chloro)stannane,CCCC[Sn](Cl)(CCCC)CCCC,"InChI=1S/3C4H9.ClH.Sn/c3*1-3-4-2;;/h3*1,3-4H2,2H3;1H;/q;;;;+1/p-1",C12H27ClSn,326.082331
796,Tetrabutyltin,1461-25-2,DTXSID4022153,15098,Tetrabutyltin,AFCAKJKUYFLYFK-UHFFFAOYSA-N,Tetrabutylstannane,CCCC[Sn](CCCC)(CCCC)CCCC,"InChI=1S/4C4H9.Sn/c4*1-3-4-2;/h4*1,3-4H2,2H3;",C16H36Sn,348.183903
797,1-Methylcyclopentanol,1462-03-9,DTXSID50163295,73830,1-Methylcyclopentanol,CAKWRXVKWGUISE-UHFFFAOYSA-N,1-Methylcyclopentan-1-ol,CC1(O)CCCC1,"InChI=1S/C6H12O/c1-6(7)4-2-3-5-6/h7H,2-5H2,1H3",C6H12O,100.088815
798,"Ethyl (2E,6S,7R)-7-hydroxy-6-methoxy-2,8-dimethyl-2,8-nonadienoate (ACI)",1462414-04-5,,,"Ethyl (2E,6S,7R)-7-hydroxy-6-methoxy-2,8-dimethyl-2,8-nonadienoate (ACI)",KHZDYDPLAZHAJK-UAIPSJAGSA-N,,O=C(OCC)C(=CCCC(OC)C(O)C(=C)C)C,"InChI=1S/C14H24O4/c1-6-18-14(16)11(4)8-7-9-12(17-5)13(15)10(2)3/h8,12-13,15H,2,6-7,9H2,1,3-5H3",,
799,"8,8,9-Trimethyl-3,5-decadiene-2,7-dione (ACI)",1462957-96-5,,,"8,8,9-Trimethyl-3,5-decadiene-2,7-dione (ACI)",ZKHZYORAVREEHU-UHFFFAOYSA-N,,O=C(C=CC=CC(=O)C(C)(C)C(C)C)C,"InChI=1S/C13H20O2/c1-10(2)13(4,5)12(15)9-7-6-8-11(3)14/h6-10H,1-5H3",,
800,9-Anthracenemethanol,1468-95-7,DTXSID1049221,73848,9-Anthracenemethanol,JCJNNHDZTLRSGN-UHFFFAOYSA-N,(Anthracen-9-yl)methanol,OCC1=C2C=CC=CC2=CC2=CC=CC=C12,"InChI=1S/C15H12O/c16-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)15/h1-9,16H,10H2",C15H12O,208.088815
801,5-Methyl-1-undecene,146919-79-1,DTXSID20334995,522550,5-Methyl-1-undecene,HNWYNXVFBLSLQE-UHFFFAOYSA-N,5-Methylundec-1-ene,CCCCCCC(C)CCC=C,"InChI=1S/C12H24/c1-4-6-8-9-11-12(3)10-7-5-2/h5,12H,2,4,6-11H2,1,3H3",C12H24,168.1878008
802,"1,2-Dihydro-2,2,4-trimethylquinoline",147-47-7,DTXSID0025070,8981,"1,2-Dihydro-2,2,4-trimethylquinoline",ZNRLMGFXSPUZNR-UHFFFAOYSA-N,"2,2,4-Trimethyl-1,2-dihydroquinoline",CC1=CC(C)(C)NC2=C1C=CC=C2,"InChI=1S/C12H15N/c1-9-8-12(2,3)13-11-7-5-4-6-10(9)11/h4-8,13H,1-3H3",C12H15N,173.1204495
803,Indan-5-ol,1470-94-6,DTXSID0051732,15118,Indan-5-ol,PEHSSTUGJUBZBI-UHFFFAOYSA-N,"2,3-Dihydro-1H-inden-5-ol",OC1=CC2=C(CCC2)C=C1,"InChI=1S/C9H10O/c10-9-5-4-7-2-1-3-8(7)6-9/h4-6,10H,1-3H2",C9H10O,134.0731649
804,"1-Propene, 3-propoxy-",1471-03-0,DTXSID8061715,15119,"1-Propene, 3-propoxy-",LWJHSQQHGRQCKO-UHFFFAOYSA-N,3-Propoxyprop-1-ene,CCCOCC=C,"InChI=1S/C6H12O/c1-3-5-7-6-4-2/h3H,1,4-6H2,2H3",C6H12O,100.088815
805,"3-(Prop-2-en-1-yloxy)-2,2-bis[(prop-2-en-1-yloxy)methyl]propan-1-ol",1471-17-6,DTXSID6044806,73854,"3-(Prop-2-en-1-yloxy)-2,2-bis[(prop-2-en-1-yloxy)methyl]propan-1-ol",FYRWKWGEFZTOQI-UHFFFAOYSA-N,"3-[(Prop-2-en-1-yl)oxy]-2,2-bis{[(prop-2-en-1-yl)oxy]methyl}propan-1-ol",OCC(COCC=C)(COCC=C)COCC=C,"InChI=1S/C14H24O4/c1-4-7-16-11-14(10-15,12-17-8-5-2)13-18-9-6-3/h4-6,15H,1-3,7-13H2",C14H24O4,256.1674593
806,1-Bromo-2-(4-bromophenoxy)benzene,147217-71-8,DTXSID50577712,15738106,1-Bromo-2-(4-bromophenoxy)benzene,RJQLQJZMLISKRJ-UHFFFAOYSA-N,1-Bromo-2-(4-bromophenoxy)benzene,BrC1=CC=C(OC2=CC=CC=C2Br)C=C1,InChI=1S/C12H8Br2O/c13-9-5-7-10(8-6-9)15-12-4-2-1-3-11(12)14/h1-8H,C12H8Br2O,325.894191
808,BDE-19,147217-73-0,DTXSID00879854,13828344,BDE-19,YDFQHBRKURQGAH-UHFFFAOYSA-N,"1,3-Dibromo-2-(2-bromophenoxy)benzene",BrC1=CC=CC=C1OC1=C(Br)C=CC=C1Br,InChI=1S/C12H7Br3O/c13-8-4-1-2-7-11(8)16-12-9(14)5-3-6-10(12)15/h1-7H,C12H7Br3O,403.804704
810,"2,2',4-Tribromodiphenyl ether",147217-75-2,DTXSID40872703,14274807,"2,2',4-Tribromodiphenyl ether",VYBFILXLBMWOLI-UHFFFAOYSA-N,"2,4-Dibromo-1-(2-bromophenoxy)benzene",BrC1=CC(Br)=C(OC2=CC=CC=C2Br)C=C1,InChI=1S/C12H7Br3O/c13-8-5-6-12(10(15)7-8)16-11-4-2-1-3-9(11)14/h1-7H,C12H7Br3O,403.804704
811,BDE-20,147217-76-3,DTXSID60879855,85681096,BDE-20,RQJUBSPXDSGLRB-UHFFFAOYSA-N,"1,2-Dibromo-3-(3-bromophenoxy)benzene",BrC1=CC=CC(OC2=CC=CC(Br)=C2Br)=C1,InChI=1S/C12H7Br3O/c13-8-3-1-4-9(7-8)16-11-6-2-5-10(14)12(11)15/h1-7H,C12H7Br3O,403.804704
813,"1,3-Dibromo-5-(3-bromophenoxy)benzene",147217-79-6,DTXSID00583560,16212140,"1,3-Dibromo-5-(3-bromophenoxy)benzene",XUKPJLVONRTECE-UHFFFAOYSA-N,"1,3-Dibromo-5-(3-bromophenoxy)benzene",BrC1=CC=CC(OC2=CC(Br)=CC(Br)=C2)=C1,InChI=1S/C12H7Br3O/c13-8-2-1-3-11(5-8)16-12-6-9(14)4-10(15)7-12/h1-7H,C12H7Br3O,403.804704
814,BDE-35,147217-80-9,DTXSID90879863,12073150,BDE-35,CDVYKQPKJYPWRO-UHFFFAOYSA-N,"1,2-Dibromo-4-(3-bromophenoxy)benzene",BrC1=CC(OC2=CC=C(Br)C(Br)=C2)=CC=C1,InChI=1S/C12H7Br3O/c13-8-2-1-3-9(6-8)16-10-4-5-11(14)12(15)7-10/h1-7H,C12H7Br3O,403.804704
816,"2,3,6,7,10,11,14,15,18,19,22,23-Tetracosanedodecol, 2,6,10,15,19,23-hexamethyl-, [3R-(3R*,6R*,7R*,10R*,11R*,14R*,15R*,18R*,19R*,22R*)]- (9CI)",147266-41-9,,134974140,"2,3,6,7,10,11,14,15,18,19,22,23-Tetracosanedodecol, 2,6,10,15,19,23-hexamethyl-, [3R-(3R*,6R*,7R*,10R*,11R*,14R*,15R*,18R*,19R*,22R*)]- (9CI)",XGAJABKORPAREO-WYLMOPAYSA-N,"(3R,6R,7R,10R,11R,14R,15R,18R,19R,22R)-2,6,10,15,19,23-hexamethyltetracosane-2,3,6,7,10,11,14,15,18,19,22,23-dodecol",OC(CCC(O)(C)C(O)CCC(O)(C)C(O)CCC(O)C(O)(C)CCC(O)C(O)(C)CCC(O)C(O)(C)C)C(O)(C)C,"InChI=1S/C30H62O12/c1-25(2,37)19(31)11-15-29(7,41)23(35)13-17-27(5,39)21(33)9-10-22(34)28(6,40)18-14-24(36)30(8,42)16-12-20(32)26(3,4)38/h19-24,31-42H,9-18H2,1-8H3",C30H62O12,614.424
817,"pregnan-3-one, (5.alpha.)-",14778-11-1,DTXSID10880911,22213548,"pregnan-3-one, (5.alpha.)-",JMAPHBFIBIHSIT-PMJYHDSJSA-N,5alpha-Pregnan-3-one,CC[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,"InChI=1S/C21H34O/c1-4-14-6-8-18-17-7-5-15-13-16(22)9-11-21(15,3)19(17)10-12-20(14,18)2/h14-15,17-19H,4-13H2,1-3H3/t14-,15-,17-,18-,19-,20+,21-/m0/s1",C21H34O,302.2609657
818,Bisphenol AF,1478-61-1,DTXSID7037717,73864,Bisphenol AF,ZFVMWEVVKGLCIJ-UHFFFAOYSA-N,"4,4'-(1,1,1,3,3,3-Hexafluoropropane-2,2-diyl)diphenol",OC1=CC=C(C=C1)C(C1=CC=C(O)C=C1)(C(F)(F)F)C(F)(F)F,"InChI=1S/C15H10F6O2/c16-14(17,18)13(15(19,20)21,9-1-5-11(22)6-2-9)10-3-7-12(23)8-4-10/h1-8,22-23H",C15H10F6O2,336.0584985
819,Nitrate,14797-55-8,DTXSID5024217,943,Nitrate,NHNBFGGVMKEFGY-UHFFFAOYSA-N,Nitrate,[O-][N+]([O-])=O,InChI=1S/NO3/c2-1(3)4/q-1,NO3,61.98836644
820,3-(Ethyl(3-methylphenyl)amino)propanenitrile,148-69-6,DTXSID5051735,67363,3-(Ethyl(3-methylphenyl)amino)propanenitrile,NPCCPMHHNIOSHL-UHFFFAOYSA-N,3-[Ethyl(3-methylphenyl)amino]propanenitrile,CCN(CCC#N)C1=CC(C)=CC=C1,"InChI=1S/C12H16N2/c1-3-14(9-5-8-13)12-7-4-6-11(2)10-12/h4,6-7,10H,3,5,9H2,1-2H3",C12H16N2,188.1313485
821,3-[Ethyl(phenyl)amino]propanenitrile,148-87-8,DTXSID4044587,8995,3-[Ethyl(phenyl)amino]propanenitrile,WYRNRZQRKCXPLA-UHFFFAOYSA-N,3-[Ethyl(phenyl)amino]propanenitrile,CCN(CCC#N)C1=CC=CC=C1,"InChI=1S/C11H14N2/c1-2-13(10-6-9-12)11-7-4-3-5-8-11/h3-5,7-8H,2,6,10H2,1H3",C11H14N2,174.1156985
822,"1,1,2-Trimethyl-3-(2-methylprop-1-en-1-ylidene)cyclopropane",14803-30-6,DTXSID20933285,139833,"1,1,2-Trimethyl-3-(2-methylprop-1-en-1-ylidene)cyclopropane",CRZLECOBVHRLLB-UHFFFAOYSA-N,"1,1,2-Trimethyl-3-(2-methylprop-1-en-1-ylidene)cyclopropane",CC1C(=C=C(C)C)C1(C)C,"InChI=1S/C10H16/c1-7(2)6-9-8(3)10(9,4)5/h8H,1-5H3",C10H16,136.1252005
823,"1,2,3,3a,8,9,9a,9b-octahydrocyclopenta[def]phenanthrene",148145-44-2,DTXSID70880674,598524,"1,2,3,3a,8,9,9a,9b-octahydrocyclopenta[def]phenanthrene",FGALZCVNLPOZNZ-UHFFFAOYSA-N,"2,3,3a,4,4a,5,6,7-Octahydro-1H-cyclopenta[def]phenanthrene",C1C2CCCC3=CC=C4CCCC1C4=C23,"InChI=1S/C15H18/c1-3-10-7-8-11-4-2-6-13-9-12(5-1)14(10)15(11)13/h7-8,12-13H,1-6,9H2",C15H18,198.1408506
824,"1-(Butan-2-yl)-2,4-dimethylbenzene",1483-60-9,DTXSID90873043,15141,"1-(Butan-2-yl)-2,4-dimethylbenzene",KAXODKSCABORIG-UHFFFAOYSA-N,,CCC(C)C1=CC=C(C)C=C1C,"InChI=1S/C12H18/c1-5-10(3)12-7-6-9(2)8-11(12)4/h6-8,10H,5H2,1-4H3",C12H18,162.1408506
825,4-Benzyloxybenzoic acid,1486-51-7,DTXSID00164030,73880,4-Benzyloxybenzoic acid,AQSCHALQLXXKKC-UHFFFAOYSA-N,4-(Benzyloxy)benzoic acid,OC(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1,"InChI=1S/C14H12O3/c15-14(16)12-6-8-13(9-7-12)17-10-11-4-2-1-3-5-11/h1-9H,10H2,(H,15,16)",C14H12O3,228.0786442
826,"cyclododecene, (e)-",1486-75-5,DTXSID20880669,15164,"cyclododecene, (e)-",HYPABJGVBDSCIT-UHFFFAOYSA-N,Cyclododecene,C1CCCCCC=CCCCC1,"InChI=1S/C12H22/c1-2-4-6-8-10-12-11-9-7-5-3-1/h1-2H,3-12H2",C12H22,166.1721507
827,2-Mercaptobenzothiazole,149-30-4,DTXSID1020807,697993,2-Mercaptobenzothiazole,YXIWHUQXZSMYRE-UHFFFAOYSA-N,"1,3-Benzothiazole-2-thiol",SC1=NC2=C(S1)C=CC=C2,"InChI=1S/C7H5NS2/c9-7-8-5-3-1-2-4-6(5)10-7/h1-4H,(H,8,9)",C7H5NS2,166.9863415
828,2-Ethylhexanoic acid,149-57-5,DTXSID9025293,8697,2-Ethylhexanoic acid,OBETXYAYXDNJHR-UHFFFAOYSA-N,2-Ethylhexanoic acid,CCCCC(CC)C(O)=O,"InChI=1S/C8H16O2/c1-3-5-6-7(4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)",C8H16O2,144.1150298
829,Menthol,1490-04-6,DTXSID8029650,1254,Menthol,NOOLISFMXDJSKH-UHFFFAOYSA-N,5-Methyl-2-(propan-2-yl)cyclohexan-1-ol,CC(C)C1CCC(C)CC1O,"InChI=1S/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3",C10H20O,156.1514153
830,"4-(2,6,6-Trimethyl-cyclohex-1-enyl)-but-3-en-2-one",14901-07-6,DTXSID9025451,26955,"4-(2,6,6-Trimethyl-cyclohex-1-enyl)-but-3-en-2-one",PSQYTAPXSHCGMF-UHFFFAOYSA-N,"4-(2,6,6-Trimethylcyclohex-1-en-1-yl)but-3-en-2-one",CC(=O)C=CC1=C(C)CCCC1(C)C,"InChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h7-8H,5-6,9H2,1-4H3",C13H20O,192.1514153
831,Ylangene,14912-44-8,DTXSID401018185,20055075,Ylangene,VLXDPFLIRFYIME-QRTUWBSPSA-N,"(1S,7R,8S)-1,3-Dimethyl-8-(propan-2-yl)tricyclo[4.4.0.0~2,7~]dec-3-ene",[H][C@@]12CC=C(C)[C@@]3([H])[C@]1([H])[C@@H](CC[C@@]23C)C(C)C,"InChI=1S/C15H24/c1-9(2)11-7-8-15(4)12-6-5-10(3)14(15)13(11)12/h5,9,11-14H,6-8H2,1-4H3/t11-,12+,13+,14-,15-/m0/s1",C15H24,204.1878008
832,"2,3-Dideoxy-5,6-O-(1-methylethylidene)-4-O-(phenylmethyl)-D-erythro-hexose (ACI)",149180-87-0,,,"2,3-Dideoxy-5,6-O-(1-methylethylidene)-4-O-(phenylmethyl)-D-erythro-hexose (ACI)",YQTRTFZBIHJZQB-LSDHHAIUSA-N,,O=CCCC(OCC=1C=CC=CC1)C2OC(OC2)(C)C,"InChI=1S/C16H22O4/c1-16(2)19-12-15(20-16)14(9-6-10-17)18-11-13-7-4-3-5-8-13/h3-5,7-8,10,14-15H,6,9,11-12H2,1-2H3",,
833,"anthracene, 9,10-dihydro-9,9,10-trimethyl-",14923-29-6,DTXSID60880800,610159,"anthracene, 9,10-dihydro-9,9,10-trimethyl-",ARQZXHSZLQPAON-UHFFFAOYSA-N,"9,9,10-Trimethyl-9,10-dihydroanthracene",CC1C2=CC=CC=C2C(C)(C)C2=CC=CC=C12,"InChI=1S/C17H18/c1-12-13-8-4-6-10-15(13)17(2,3)16-11-7-5-9-14(12)16/h4-12H,1-3H3",C17H18,222.1408506
834,"1-[[(1,4-Dimethylpentyl)amino]methyl]-4,4-dimethylcyclohexanol (ACI)",1496745-10-8,,65116794,"1-[[(1,4-Dimethylpentyl)amino]methyl]-4,4-dimethylcyclohexanol (ACI)",HBJMRHGOKZRTSH-UHFFFAOYSA-N,"4,4-dimethyl-1-[(5-methylhexan-2-ylamino)methyl]cyclohexan-1-ol",OC1(CNC(C)CCC(C)C)CCC(C)(C)CC1,"InChI=1S/C16H33NO/c1-13(2)6-7-14(3)17-12-16(18)10-8-15(4,5)9-11-16/h13-14,17-18H,6-12H2,1-5H3",C16H33NO,255.256
835,6-[3-[1-[2-(Dimethylamino)ethyl]-1H-imidazol-2-yl]-1-piperidinyl]-2-(methylthio)-4-pyrimidinamine (ACI),1497596-50-5,,72896680,6-[3-[1-[2-(Dimethylamino)ethyl]-1H-imidazol-2-yl]-1-piperidinyl]-2-(methylthio)-4-pyrimidinamine (ACI),HFKQAKALOOXXBP-UHFFFAOYSA-N,6-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-2-methylsulfanylpyrimidin-4-amine,N=1C=CN(C1C2CN(C=3N=C(N=C(N)C3)SC)CCC2)CCN(C)C,"InChI=1S/C17H27N7S/c1-22(2)9-10-23-8-6-19-16(23)13-5-4-7-24(12-13)15-11-14(18)20-17(21-15)25-3/h6,8,11,13H,4-5,7,9-10,12H2,1-3H3,(H2,18,20,21)",C17H27N7S,361.205
836,9-Propylanthracene,1498-77-7,DTXSID40345609,605801,9-Propylanthracene,DYERJGPIBJPPKA-UHFFFAOYSA-N,9-Propylanthracene,CCCC1=C2C=CC=CC2=CC2=CC=CC=C12,"InChI=1S/C17H16/c1-2-7-17-15-10-5-3-8-13(15)12-14-9-4-6-11-16(14)17/h3-6,8-12H,2,7H2,1H3",C17H16,220.1252005
837,1-Decyl-N-(2-methoxyethyl)cyclobutanemethanamine (ACI),1498652-59-7,,65196627,1-Decyl-N-(2-methoxyethyl)cyclobutanemethanamine (ACI),JBOQISHYKLHVGD-UHFFFAOYSA-N,N-[(1-decylcyclobutyl)methyl]-2-methoxyethanamine,O(C)CCNCC1(CCCCCCCCCC)CCC1,"InChI=1S/C18H37NO/c1-3-4-5-6-7-8-9-10-12-18(13-11-14-18)17-19-15-16-20-2/h19H,3-17H2,1-2H3",C18H37NO,283.288
838,"Disulfide, bis(phenylmethyl)",150-60-7,DTXSID6059738,9012,"Disulfide, bis(phenylmethyl)",GVPWHKZIJBODOX-UHFFFAOYSA-N,"1,1'-[Disulfanediylbis(methylene)]dibenzene",C(SSCC1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C14H14S2/c1-3-7-13(8-4-1)11-15-16-12-14-9-5-2-6-10-14/h1-10H,11-12H2",C14H14S2,246.0536928
839,4-Methoxyphenol,150-76-5,DTXSID4020828,9015,4-Methoxyphenol,NWVVVBRKAWDGAB-UHFFFAOYSA-N,4-Methoxyphenol,COC1=CC=C(O)C=C1,"InChI=1S/C7H8O2/c1-9-7-4-2-6(8)3-5-7/h2-5,8H,1H3",C7H8O2,124.0524295
840,Phytol,150-86-7,DTXSID1040586,5280435,Phytol,BOTWFXYSPFMFNR-PYDDKJGSSA-N,"(2E,7R,11R)-3,7,11,15-Tetramethylhexadec-2-en-1-ol",CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC\C(C)=C\CO,"InChI=1S/C20H40O/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h15,17-19,21H,6-14,16H2,1-5H3/b20-15+/t18-,19-/m1/s1",C20H40O,296.3079159
841,"Cyclododecene (6CI, 8CI, 9CI, ACI)",1501-82-2,,15164,"Cyclododecene (6CI, 8CI, 9CI, ACI)",HYPABJGVBDSCIT-UHFFFAOYSA-N,cyclododecene,C1=CCCCCCCCCCC1,"InChI=1S/C12H22/c1-2-4-6-8-10-12-11-9-7-5-3-1/h1-2H,3-12H2",C12H22,166.172
842,Cyclodecanol,1502-05-2,DTXSID6061737,15166,Cyclodecanol,WFRBMXFCEAHLGH-UHFFFAOYSA-N,Cyclodecanol,OC1CCCCCCCCC1,"InChI=1S/C10H20O/c11-10-8-6-4-2-1-3-5-7-9-10/h10-11H,1-9H2",C10H20O,156.1514153
843,2-Isopropyl-5-methyl-9-methylene-bicyclo[4.4.0]dec-1-ene,150320-52-8,,595137,2-Isopropyl-5-methyl-9-methylene-bicyclo[4.4.0]dec-1-ene,FTSINDMZMFBWFS-UHFFFAOYSA-N,"1-methyl-6-methylidene-4-propan-2-yl-2,3,5,7,8,8a-hexahydro-1H-naphthalene",C=C1CC2=C(CCC(C)C2CC1)C(C)C,"InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h10,12,14H,3,5-9H2,1-2,4H3",C15H24,204.188
844,"2,2,5,5-Tetramethyltetrahydrofuran",15045-43-9,DTXSID1022263,27010,"2,2,5,5-Tetramethyltetrahydrofuran",BBLDTXFLAHKYFJ-UHFFFAOYSA-N,"2,2,5,5-Tetramethyloxolane",CC1(C)CCC(C)(C)O1,"InChI=1S/C8H16O/c1-7(2)5-6-8(3,4)9-7/h5-6H2,1-4H3",C8H16O,128.1201151
845,"Hexadecanoic acid, 2-(2-hydroxy-1-oxopropoxy)-1,3-propanediyl ester (9CI)",150516-68-0,,19756016,"Hexadecanoic acid, 2-(2-hydroxy-1-oxopropoxy)-1,3-propanediyl ester (9CI)",DIQIFCKMXBRTBD-UHFFFAOYSA-N,[3-hexadecanoyloxy-2-(2-hydroxypropanoyloxy)propyl] hexadecanoate,O=C(OCC(OC(=O)C(O)C)COC(=O)CCCCCCCCCCCCCCC)CCCCCCCCCCCCCCC,"InChI=1S/C38H72O7/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-36(40)43-32-35(45-38(42)34(3)39)33-44-37(41)31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h34-35,39H,4-33H2,1-3H3",C38H72O7,640.528
846,Rhodoquinone 9,15067-23-9,,71435236,Rhodoquinone 9,GCQAFBRARRTBAO-UHFFFAOYSA-N,"2-amino-3-methoxy-6-methyl-5-(3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaenyl)cyclohexa-2,5-diene-1,4-dione",O=C1C(N)=C(OC)C(=O)C(=C1C)CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C,"InChI=1S/C53H81NO3/c1-39(2)21-13-22-40(3)23-14-24-41(4)25-15-26-42(5)27-16-28-43(6)29-17-30-44(7)31-18-32-45(8)33-19-34-46(9)35-20-36-47(10)37-38-49-48(11)51(55)50(54)53(57-12)52(49)56/h21,23,25,27,29,31,33,35,37H,13-20,22,24,26,28,30,32,34,36,38,54H2,1-12H3",C53H81NO3,779.622
847,"Benzene, 1,1'-[(methylthio)ethenylidene]bis-",15096-10-3,DTXSID70346760,614697,"Benzene, 1,1'-[(methylthio)ethenylidene]bis-",GKRXIURAUNDFJH-UHFFFAOYSA-N,"1,1'-[2-(Methylsulfanyl)ethene-1,1-diyl]dibenzene",CSC=C(C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C15H14S/c1-16-12-15(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-12H,1H3",C15H14S,226.0816216
848,Dimethylbenzylcarbinyl acetate,151-05-3,DTXSID3041877,9024,Dimethylbenzylcarbinyl acetate,FLUWAIIVLCVEKF-UHFFFAOYSA-N,2-Methyl-1-phenylpropan-2-yl acetate,CC(=O)OC(C)(C)CC1=CC=CC=C1,"InChI=1S/C12H16O2/c1-10(13)14-12(2,3)9-11-7-5-4-6-8-11/h4-8H,9H2,1-3H3",C12H16O2,192.1150298
849,"1,3-Dimethoxybenzene",151-10-0,DTXSID2047060,9025,"1,3-Dimethoxybenzene",DPZNOMCNRMUKPS-UHFFFAOYSA-N,"1,3-Dimethoxybenzene",COC1=CC(OC)=CC=C1,"InChI=1S/C8H10O2/c1-9-7-4-3-5-8(6-7)10-2/h3-6H,1-2H3",C8H10O2,138.0680796
850,Sodium dodecyl sulfate,151-21-3,DTXSID1026031,3423265,Sodium dodecyl sulfate,DBMJMQXJHONAFJ-UHFFFAOYSA-M,Sodium dodecyl sulfate,[Na+].CCCCCCCCCCCCOS([O-])(=O)=O,"InChI=1S/C12H26O4S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;/h2-12H2,1H3,(H,13,14,15);/q;+1/p-1",C12H25NaO4S,288.1371247
851,"rel-(1S,3aR,4S,6aS)-1-[(2R,3S)-2-(1,3-Benzodioxol-5-yl)-3,4-dihydro-7-methoxy-3-(methoxymethyl)-2H-1-benzopyran-6-yl]-4-(2,6-dimethoxyphenoxy)dihydro-1H,3H-furo[3,4-c]furan-3a(4H)-ol (ACI)",151377-99-0,,,"rel-(1S,3aR,4S,6aS)-1-[(2R,3S)-2-(1,3-Benzodioxol-5-yl)-3,4-dihydro-7-methoxy-3-(methoxymethyl)-2H-1-benzopyran-6-yl]-4-(2,6-dimethoxyphenoxy)dihydro-1H,3H-furo[3,4-c]furan-3a(4H)-ol (ACI)",JHWYZKKJRMROIT-OBSBKOHLNA-N,,OC12COC(C=3C=C4C(OC(C5=CC=C6OCOC6=C5)C(COC)C4)=CC3OC)C2COC1OC=7C(OC)=CC=CC7OC,"InChI=1S/C33H36O11/c1-35-14-20-10-19-11-21(27(38-4)13-26(19)43-29(20)18-8-9-23-28(12-18)42-17-41-23)30-22-15-39-32(33(22,34)16-40-30)44-31-24(36-2)6-5-7-25(31)37-3/h5-9,11-13,20,22,29-30,32,34H,10,14-17H2,1-4H3",,
852,"2-Butyl-1H-isoindole-1,3(2H)-dione",1515-72-6,DTXSID8044591,73812,"2-Butyl-1H-isoindole-1,3(2H)-dione",DLKDEVCJRCPTLN-UHFFFAOYSA-N,"2-Butyl-1H-isoindole-1,3(2H)-dione",CCCCN1C(=O)C2=C(C=CC=C2)C1=O,"InChI=1S/C12H13NO2/c1-2-3-8-13-11(14)9-6-4-5-7-10(9)12(13)15/h4-7H,2-3,8H2,1H3",C12H13NO2,203.0946287
853,"4,4'-(Ethane-1,2-diyl)bis(2,6-di-tert-butylphenol)",1516-94-5,DTXSID90934300,164847,"4,4'-(Ethane-1,2-diyl)bis(2,6-di-tert-butylphenol)",LRRMGPGVHYPBPL-UHFFFAOYSA-N,"4,4'-(Ethane-1,2-diyl)bis(2,6-di-tert-butylphenol)",CC(C)(C)C1=CC(CCC2=CC(=C(O)C(=C2)C(C)(C)C)C(C)(C)C)=CC(=C1O)C(C)(C)C,"InChI=1S/C30H46O2/c1-27(2,3)21-15-19(16-22(25(21)31)28(4,5)6)13-14-20-17-23(29(7,8)9)26(32)24(18-20)30(10,11)12/h15-18,31-32H,13-14H2,1-12H3",C30H46O2,438.3497807
854,"O,O,O-Trimethyl phosphorothioate",152-18-1,DTXSID30164927,9038,"O,O,O-Trimethyl phosphorothioate",XWSLYQXUTWUIKM-UHFFFAOYSA-N,"O,O,O-Trimethyl phosphorothioate",COP(=S)(OC)OC,"InChI=1S/C3H9O3PS/c1-4-7(8,5-2)6-3/h1-3H3",C3H9O3PS,156.0010023
855,"1,1'-(1-Methyl-1,3-propanediyl)bis-benzene",1520-44-1,DTXSID00862685,15203,"1,1'-(1-Methyl-1,3-propanediyl)bis-benzene",PDINXYLAVFUHSA-UHFFFAOYSA-N,"1,1'-(Butane-1,3-diyl)dibenzene",CC(CCC1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C16H18/c1-14(16-10-6-3-7-11-16)12-13-15-8-4-2-5-9-15/h2-11,14H,12-13H2,1H3",C16H18,210.1408506
856,"1,3-Diphenyl-2-ethylpropane",1520-45-2,DTXSID60164935,137055,"1,3-Diphenyl-2-ethylpropane",MGOQUACFAATBIG-UHFFFAOYSA-N,(2-Benzylbutyl)benzene,CCC(CC1=CC=CC=C1)CC1=CC=CC=C1,"InChI=1S/C17H20/c1-2-15(13-16-9-5-3-6-10-16)14-17-11-7-4-8-12-17/h3-12,15H,2,13-14H2,1H3",C17H20,224.1565006
857,Diethyl 2-butenedioate,1520-50-9,DTXSID8048151,12201,Diethyl 2-butenedioate,IEPRKVQEAMIZSS-UHFFFAOYSA-N,Diethyl but-2-enedioate,CCOC(=O)C=CC(=O)OCC,"InChI=1S/C8H12O4/c1-3-11-7(9)5-6-8(10)12-4-2/h5-6H,3-4H2,1-2H3",C8H12O4,172.0735589
858,"Benzeneacetic acid, .alpha.-oxo-, methyl ester",15206-55-0,DTXSID9065867,84835,"Benzeneacetic acid, .alpha.-oxo-, methyl ester",YLHXLHGIAMFFBU-UHFFFAOYSA-N,Methyl oxo(phenyl)acetate,COC(=O)C(=O)C1=CC=CC=C1,"InChI=1S/C9H8O3/c1-12-9(11)8(10)7-5-3-2-4-6-7/h2-6H,1H3",C9H8O3,164.0473441
859,N-Nitrosoazetidine,15216-10-1,DTXSID9021475,27135,N-Nitrosoazetidine,SNKTZBNDUVWOAZ-UHFFFAOYSA-N,1-Nitrosoazetidine,O=NN1CCC1,InChI=1S/C3H6N2O/c6-4-5-2-1-3-5/h1-3H2,C3H6N2O,86.04801282
860,"1?-(Aminomethyl)-4-(1,1-dimethylpropyl)[1,1?-bicyclohexyl]-1-ol (ACI)",1521639-21-3,,79127816,"1?-(Aminomethyl)-4-(1,1-dimethylpropyl)[1,1?-bicyclohexyl]-1-ol (ACI)",BXICORWSBKRPJH-UHFFFAOYSA-N,1-[1-(aminomethyl)cyclohexyl]-4-(2-methylbutan-2-yl)cyclohexan-1-ol,OC1(CCC(CC1)C(C)(C)CC)C2(CN)CCCCC2,"InChI=1S/C18H35NO/c1-4-16(2,3)15-8-12-18(20,13-9-15)17(14-19)10-6-5-7-11-17/h15,20H,4-14,19H2,1-3H3",C18H35NO,281.272
861,Dioctylstannane,15231-44-4,DTXSID101017140,100957579,Dioctylstannane,HGQSXVKHVMGQRG-UHFFFAOYSA-N,Dioctylstannane,CCCCCCCC[Sn]CCCCCCCC,"InChI=1S/2C8H17.Sn/c2*1-3-5-7-8-6-4-2;/h2*1,3-8H2,2H3;",C16H36Sn,348.183903
862,Octyl tin,15231-57-9,DTXSID50904120,91991,Octyl tin,FVDVDOXUPRCVOO-UHFFFAOYSA-N,Octylstannanato(3-),CCCCCCCC[SnH],"InChI=1S/C8H17.Sn.H/c1-3-5-7-8-6-4-2;;/h1,3-8H2,2H3;;",C8H20Sn,236.058703
863,"cyclohexene, 1-octyl-",15232-87-8,DTXSID60880860,519088,"cyclohexene, 1-octyl-",AHNZGLABLPCXKB-UHFFFAOYSA-N,1-Octylcyclohex-1-ene,CCCCCCCCC1=CCCCC1,"InChI=1S/C14H26/c1-2-3-4-5-6-8-11-14-12-9-7-10-13-14/h12H,2-11,13H2,1H3",C14H26,194.2034508
864,N2-(3-Hydroxy-1-oxopentadecyl)-L-asparaginyl-N1-(1-formyl-3-methylbutyl)-L-glutamamide (ACI),152338-60-8,,,N2-(3-Hydroxy-1-oxopentadecyl)-L-asparaginyl-N1-(1-formyl-3-methylbutyl)-L-glutamamide (ACI),VUHAEVMNBBEJAF-OVKIHRCZSA-N,,O=CC(NC(=O)C(NC(=O)C(NC(=O)CC(O)CCCCCCCCCCCC)CC(=O)N)CCC(=O)N)CC(C)C,"InChI=1S/C30H55N5O7/c1-4-5-6-7-8-9-10-11-12-13-14-23(37)18-28(40)34-25(19-27(32)39)30(42)35-24(15-16-26(31)38)29(41)33-22(20-36)17-21(2)3/h20-25,37H,4-19H2,1-3H3,(H2,31,38)(H2,32,39)(H,33,41)(H,34,40)(H,35,42)",,
865,"2,7-Dimethyloctan-1-ol",15250-22-3,DTXSID00934518,27154,"2,7-Dimethyloctan-1-ol",FNLOIWOIWFHQSI-UHFFFAOYSA-N,"2,7-Dimethyloctan-1-ol",CC(C)CCCCC(C)CO,"InChI=1S/C10H22O/c1-9(2)6-4-5-7-10(3)8-11/h9-11H,4-8H2,1-3H3",C10H22O,158.1670653
866,"Trihexyl benzene-1,2,4-tricarboxylate",1528-49-0,DTXSID4052681,73718,"Trihexyl benzene-1,2,4-tricarboxylate",MXHBQKVKHGQWRB-UHFFFAOYSA-N,"Trihexyl benzene-1,2,4-tricarboxylate",CCCCCCOC(=O)C1=CC=C(C(=O)OCCCCCC)C(=C1)C(=O)OCCCCCC,"InChI=1S/C27H42O6/c1-4-7-10-13-18-31-25(28)22-16-17-23(26(29)32-19-14-11-8-5-2)24(21-22)27(30)33-20-15-12-9-6-3/h16-17,21H,4-15,18-20H2,1-3H3",C27H42O6,462.2981391
867,"2,6-Dichloro-N-phenylaniline",15307-93-4,DTXSID90165213,84867,"2,6-Dichloro-N-phenylaniline",HDUUZPLYVVQTKN-UHFFFAOYSA-N,"2,6-Dichloro-N-phenylaniline",ClC1=CC=CC(Cl)=C1NC1=CC=CC=C1,"InChI=1S/C12H9Cl2N/c13-10-7-4-8-11(14)12(10)15-9-5-2-1-3-6-9/h1-8,15H",C12H9Cl2N,237.0112047
868,Etoxazole,153233-91-1,DTXSID8034586,153974,Etoxazole,IXSZQYVWNJNRAL-UHFFFAOYSA-N,"4-(4-tert-Butyl-2-ethoxyphenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole",CCOC1=C(C=CC(=C1)C(C)(C)C)C1COC(=N1)C1=C(F)C=CC=C1F,"InChI=1S/C21H23F2NO2/c1-5-25-18-11-13(21(2,3)4)9-10-14(18)17-12-26-20(24-17)19-15(22)7-6-8-16(19)23/h6-11,17H,5,12H2,1-4H3",C21H23F2NO2,359.1696853
869,Dodecan-3-one,1534-27-6,DTXSID00165320,15229,Dodecan-3-one,PERIHWAPLOBAJM-UHFFFAOYSA-N,Dodecan-3-one,CCCCCCCCCC(=O)CC,"InChI=1S/C12H24O/c1-3-5-6-7-8-9-10-11-12(13)4-2/h3-11H2,1-2H3",C12H24O,184.1827154
870,"bicyclo[3.1.1]heptan-3-one, 2,6,6-trimethyl-, (1alpha,2beta,5alpha)-",15358-88-0,DTXSID30881208,84532,"bicyclo[3.1.1]heptan-3-one, 2,6,6-trimethyl-, (1alpha,2beta,5alpha)-",MQPHVIPKLRXGDJ-RNJXMRFFSA-N,"(1S,2S,5R)-2,6,6-Trimethylbicyclo[3.1.1]heptan-3-one",C[C@H]1[C@@H]2C[C@H](CC1=O)C2(C)C,"InChI=1S/C10H16O/c1-6-8-4-7(5-9(6)11)10(8,2)3/h6-8H,4-5H2,1-3H3/t6-,7+,8-/m0/s1",C10H16O,152.1201151
871,"thiophene, 2-(4-methylbenzylsulfonyl)-",153837-88-8,DTXSID10880916,569315,"thiophene, 2-(4-methylbenzylsulfonyl)-",KFVNDBSYTXLZLS-UHFFFAOYSA-N,2-[(4-Methylphenyl)methanesulfonyl]thiophene,CC1=CC=C(CS(=O)(=O)C2=CC=CS2)C=C1,"InChI=1S/C12H12O2S2/c1-10-4-6-11(7-5-10)9-16(13,14)12-3-2-8-15-12/h2-8H,9H2,1H3",C12H12O2S2,252.027872
872,"3-Butylpentane-2,4-dione",1540-36-9,DTXSID50165512,73763,"3-Butylpentane-2,4-dione",MBXOOYPCIDHXGH-UHFFFAOYSA-N,"3-Butylpentane-2,4-dione",CCCCC(C(C)=O)C(C)=O,"InChI=1S/C9H16O2/c1-4-5-6-9(7(2)10)8(3)11/h9H,4-6H2,1-3H3",C9H16O2,156.1150298
873,Lauryldiethanolamine,1541-67-9,DTXSID4042090,352309,Lauryldiethanolamine,NKFNBVMJTSYZDV-UHFFFAOYSA-N,"2,2'-(Dodecylazanediyl)di(ethan-1-ol)",CCCCCCCCCCCCN(CCO)CCO,"InChI=1S/C16H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-17(13-15-18)14-16-19/h18-19H,2-16H2,1H3",C16H35NO2,273.2667794
874,4-Dodecylmorpholine,1541-81-7,DTXSID4042171,73764,4-Dodecylmorpholine,ZRIILUSQBDFVNY-UHFFFAOYSA-N,4-Dodecylmorpholine,CCCCCCCCCCCCN1CCOCC1,"InChI=1S/C16H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18-16-14-17/h2-16H2,1H3",C16H33NO,255.2562147
875,"3-Isopropenyl-2,5-dimethyl-3,4-hexadien-2-ol",15448-75-6,DTXSID90336143,529303,"3-Isopropenyl-2,5-dimethyl-3,4-hexadien-2-ol",OOYJYXZAXCOHEW-UHFFFAOYSA-N,"2,5-Dimethyl-3-(prop-1-en-2-yl)hexa-3,4-dien-2-ol",CC(C)=C=C(C(C)=C)C(C)(C)O,"InChI=1S/C11H18O/c1-8(2)7-10(9(3)4)11(5,6)12/h12H,3H2,1-2,4-6H3",C11H18O,166.1357652
876,"Vinyl 4-(1,1-dimethylethyl)benzoate",15484-80-7,DTXSID40165748,84940,"Vinyl 4-(1,1-dimethylethyl)benzoate",ZLHVSEPPILCZHH-UHFFFAOYSA-N,Ethenyl 4-tert-butylbenzoate,CC(C)(C)C1=CC=C(C=C1)C(=O)OC=C,"InChI=1S/C13H16O2/c1-5-15-12(14)10-6-8-11(9-7-10)13(2,3)4/h5-9H,1H2,2-4H3",C13H16O2,204.1150298
877,2-Propyltetrahydrothiophene,1551-34-4,DTXSID50333895,519126,2-Propyltetrahydrothiophene,RKTPCTKFTDSWND-UHFFFAOYSA-N,2-Propylthiolane,CCCC1CCCS1,"InChI=1S/C7H14S/c1-2-4-7-5-3-6-8-7/h7H,2-6H2,1H3",C7H14S,130.0816216
878,4-{[(2-Ethylhexyl)oxy]carbonyl}benzoic acid,155603-50-2,DTXSID80935240,154683,4-{[(2-Ethylhexyl)oxy]carbonyl}benzoic acid,HRUJAEJKCNCOGW-UHFFFAOYSA-N,4-{[(2-Ethylhexyl)oxy]carbonyl}benzoic acid,CCCCC(CC)COC(=O)C1=CC=C(C=C1)C(O)=O,"InChI=1S/C16H22O4/c1-3-5-6-12(4-2)11-20-16(19)14-9-7-13(8-10-14)15(17)18/h7-10,12H,3-6,11H2,1-2H3,(H,17,18)",C16H22O4,278.1518092
879,1-Phenyl-2-butene,1560-06-1,DTXSID50862433,15263,1-Phenyl-2-butene,VUKHQPGJNTXTPY-UHFFFAOYSA-N,(But-2-en-1-yl)benzene,CC=CCC1=CC=CC=C1,"InChI=1S/C10H12/c1-2-3-7-10-8-5-4-6-9-10/h2-6,8-9H,7H2,1H3",C10H12,132.0939004
880,"Octadecane, 2-methyl-",1560-88-9,DTXSID50166024,15264,"Octadecane, 2-methyl-",KVQVGSDBGJXNGV-UHFFFAOYSA-N,2-Methyloctadecane,CCCCCCCCCCCCCCCCC(C)C,"InChI=1S/C19H40/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(2)3/h19H,4-18H2,1-3H3",C19H40,268.3130013
881,"Heptadecane, 2-methyl-",1560-89-0,DTXSID3073266,15265,"Heptadecane, 2-methyl-",RJWUMFHQJJBBOD-UHFFFAOYSA-N,2-Methylheptadecane,CCCCCCCCCCCCCCCC(C)C,"InChI=1S/C18H38/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2)3/h18H,4-17H2,1-3H3",C18H38,254.2973512
882,2-Methylhexadecane,1560-92-5,DTXSID10166025,15266,2-Methylhexadecane,FNWWOHKUXFTKGN-UHFFFAOYSA-N,2-Methylhexadecane,CCCCCCCCCCCCCCC(C)C,"InChI=1S/C17H36/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17(2)3/h17H,4-16H2,1-3H3",C17H36,240.2817012
883,2-Methylpentadecane,1560-93-6,DTXSID70166026,15267,2-Methylpentadecane,BANXPJUEBPWEOT-UHFFFAOYSA-N,2-Methylpentadecane,CCCCCCCCCCCCCC(C)C,"InChI=1S/C16H34/c1-4-5-6-7-8-9-10-11-12-13-14-15-16(2)3/h16H,4-15H2,1-3H3",C16H34,226.2660511
884,2-Methyltetradecane,1560-95-8,DTXSID90873240,15268,2-Methyltetradecane,KUVMKLCGXIYSNH-UHFFFAOYSA-N,2-Methyltetradecane,CCCCCCCCCCCCC(C)C,"InChI=1S/C15H32/c1-4-5-6-7-8-9-10-11-12-13-14-15(2)3/h15H,4-14H2,1-3H3",C15H32,212.250401
885,2-Methyltridecane,1560-96-9,DTXSID30166027,15269,2-Methyltridecane,CJBFZKZYIPBBTO-UHFFFAOYSA-N,2-Methyltridecane,CCCCCCCCCCCC(C)C,"InChI=1S/C14H30/c1-4-5-6-7-8-9-10-11-12-13-14(2)3/h14H,4-13H2,1-3H3",C14H30,198.234751
886,2-Methyldodecane,1560-97-0,DTXSID20873238,15270,2-Methyldodecane,HGEMCUOAMCILCP-UHFFFAOYSA-N,2-Methyldodecane,CCCCCCCCCCC(C)C,"InChI=1S/C13H28/c1-4-5-6-7-8-9-10-11-12-13(2)3/h13H,4-12H2,1-3H3",C13H28,184.2191009
887,"4-(1,1-Dimethylethyl)-2-[[methyl(1,2,2-trimethylpropyl)amino]methyl]cyclohexanol (ACI)",1560785-79-6,,63488055,"4-(1,1-Dimethylethyl)-2-[[methyl(1,2,2-trimethylpropyl)amino]methyl]cyclohexanol (ACI)",UIWLOBABNFLYHD-UHFFFAOYSA-N,"4-tert-butyl-2-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]cyclohexan-1-ol",OC1CCC(CC1CN(C)C(C)C(C)(C)C)C(C)(C)C,"InChI=1S/C18H37NO/c1-13(17(2,3)4)19(8)12-14-11-15(18(5,6)7)9-10-16(14)20/h13-16,20H,9-12H2,1-8H3",C18H37NO,283.288
888,2-[[(1-Methyloctyl)amino]methyl]cyclohexanol (ACI),1561799-39-0,,64929242,2-[[(1-Methyloctyl)amino]methyl]cyclohexanol (ACI),MHMXWXGPJRKNIV-UHFFFAOYSA-N,2-[(nonan-2-ylamino)methyl]cyclohexan-1-ol,OC1CCCCC1CNC(C)CCCCCCC,"InChI=1S/C16H33NO/c1-3-4-5-6-7-10-14(2)17-13-15-11-8-9-12-16(15)18/h14-18H,3-13H2,1-2H3",C16H33NO,255.256
889,"2,7-Dimethylpyrene",15679-24-0,DTXSID20166132,27441,"2,7-Dimethylpyrene",GSKHIRFMTJUBSM-UHFFFAOYSA-N,"2,7-Dimethylpyrene",CC1=CC2=C3C(C=CC4=CC(C)=CC(C=C2)=C34)=C1,"InChI=1S/C18H14/c1-11-7-13-3-5-15-9-12(2)10-16-6-4-14(8-11)17(13)18(15)16/h3-10H,1-2H3",C18H14,230.1095505
890,1-Ethoxy-2-propanol,1569-02-4,DTXSID1041267,15287,1-Ethoxy-2-propanol,JOLQKTGDSGKSKJ-UHFFFAOYSA-N,1-Ethoxypropan-2-ol,CCOCC(C)O,"InChI=1S/C5H12O2/c1-3-7-4-5(2)6/h5-6H,3-4H2,1-2H3",C5H12O2,104.0837296
891,6-Methylhept-5-en-2-ol,1569-60-4,DTXSID8051754,20745,6-Methylhept-5-en-2-ol,OHEFFKYYKJVVOX-UHFFFAOYSA-N,6-Methylhept-5-en-2-ol,CC(O)CCC=C(C)C,"InChI=1S/C8H16O/c1-7(2)5-4-6-8(3)9/h5,8-9H,4,6H2,1-3H3",C8H16O,128.1201151
892,Methyl 4-formylbenzoate,1571-08-0,DTXSID4025610,15294,Methyl 4-formylbenzoate,FEIOASZZURHTHB-UHFFFAOYSA-N,Methyl 4-formylbenzoate,COC(=O)C1=CC=C(C=O)C=C1,"InChI=1S/C9H8O3/c1-12-9(11)8-4-2-7(6-10)3-5-8/h2-6H,1H3",C9H8O3,164.0473441
893,"4,4'-(1-Phenylethylidene)bisphenol",1571-75-1,DTXSID5051444,623849,"4,4'-(1-Phenylethylidene)bisphenol",VOWWYDCFAISREI-UHFFFAOYSA-N,"4,4'-(1-Phenylethane-1,1-diyl)diphenol",CC(C1=CC=CC=C1)(C1=CC=C(O)C=C1)C1=CC=C(O)C=C1,"InChI=1S/C20H18O2/c1-20(15-5-3-2-4-6-15,16-7-11-18(21)12-8-16)17-9-13-19(22)14-10-17/h2-14,21-22H,1H3",C20H18O2,290.1306798
894,"N,N-Bis(4-tert-octylphenyl)amine",15721-78-5,DTXSID3029310,85069,"N,N-Bis(4-tert-octylphenyl)amine",GQBHYWDCHSZDQU-UHFFFAOYSA-N,"4-(2,4,4-Trimethylpentan-2-yl)-N-[4-(2,4,4-trimethylpentan-2-yl)phenyl]aniline",CC(C)(C)CC(C)(C)C1=CC=C(NC2=CC=C(C=C2)C(C)(C)CC(C)(C)C)C=C1,"InChI=1S/C28H43N/c1-25(2,3)19-27(7,8)21-11-15-23(16-12-21)29-24-17-13-22(14-18-24)28(9,10)20-26(4,5)6/h11-18,29H,19-20H2,1-10H3",C28H43N,393.3395504
895,"3,6-Dimethylphenanthrene",1576-67-6,DTXSID9052682,15304,"3,6-Dimethylphenanthrene",OMIBPZBOAJFEJS-UHFFFAOYSA-N,"3,6-Dimethylphenanthrene",CC1=CC2=C(C=C1)C=CC1=C2C=C(C)C=C1,"InChI=1S/C16H14/c1-11-3-5-13-7-8-14-6-4-12(2)10-16(14)15(13)9-11/h3-10H,1-2H3",C16H14,206.1095505
896,"2,4-Dimethyl benzaldehyde",15764-16-6,DTXSID60166297,61814,"2,4-Dimethyl benzaldehyde",GISVICWQYMUPJF-UHFFFAOYSA-N,"2,4-Dimethylbenzaldehyde",CC1=CC(C)=C(C=O)C=C1,"InChI=1S/C9H10O/c1-7-3-4-9(6-10)8(2)5-7/h3-6H,1-2H3",C9H10O,134.0731649
897,"rel-(1R,2R,3R,4S)-3-Methylbicyclo[2.2.1]heptane-2-carboxaldehyde (ACI)",15780-36-6,,,"rel-(1R,2R,3R,4S)-3-Methylbicyclo[2.2.1]heptane-2-carboxaldehyde (ACI)",RUIXAZHUDDLLKE-BWNVTPFRNA-N,,O=CC1C2CCC(C2)C1C,"InChI=1S/C9H14O/c1-6-7-2-3-8(4-7)9(6)5-10/h5-9H,2-4H2,1H3",,
898,p-Tolyl ether,1579-40-4,DTXSID2061800,74098,p-Tolyl ether,YWYHGNUFMPSTTR-UHFFFAOYSA-N,"1,1'-Oxybis(4-methylbenzene)",CC1=CC=C(OC2=CC=C(C)C=C2)C=C1,"InChI=1S/C14H14O/c1-11-3-7-13(8-4-11)15-14-9-5-12(2)6-10-14/h3-10H,1-2H3",C14H14O,198.1044651
899,"7,15,19,31,35-Pentaoxa-36,37-diazatetracyclo[31.2.1.117,20.06,8]heptatriaconta-1(36),2,4,9,17,20(37),23,25,27,33-decaene-16,32-dione, 12-hydroxy-30-(2-hydroxy-1,1-dimethyl-3-pentenyl)-22-methoxy-13,13-dimethyl-14-(1-propenyl)- (9CI)",158181-60-3,,74007520,"7,15,19,31,35-Pentaoxa-36,37-diazatetracyclo[31.2.1.117,20.06,8]heptatriaconta-1(36),2,4,9,17,20(37),23,25,27,33-decaene-16,32-dione, 12-hydroxy-30-(2-hydroxy-1,1-dimethyl-3-pentenyl)-22-methoxy-13,13-dimethyl-14-(1-propenyl)- (9CI)",XEVJRQFVFSNVAF-UHFFFAOYSA-N,"12-hydroxy-30-(3-hydroxy-2-methylhex-4-en-2-yl)-22-methoxy-13,13-dimethyl-14-prop-1-enyl-7,15,19,31,35-pentaoxa-36,37-diazatetracyclo[31.2.1.117,20.06,8]heptatriaconta-1(36),2,4,9,17,20(37),23,25,27,33-decaene-16,32-dione",O=C1OC(C=CC)C(C)(C)C(O)CC=CC2OC2C=CC=CC3=NC(=CO3)C(=O)OC(CC=CC=CC=CC(OC)CC4=NC1=CO4)C(C)(C)C(O)C=CC,"InChI=1S/C43H54N2O10/c1-8-18-34(46)42(3,4)37-24-14-12-10-11-13-20-29(50-7)26-39-45-31(28-52-39)41(49)54-36(19-9-2)43(5,6)35(47)23-17-22-33-32(53-33)21-15-16-25-38-44-30(27-51-38)40(48)55-37/h8-22,25,27-29,32-37,46-47H,23-24,26H2,1-7H3",C43H54N2O10,758.378
900,3-Ethylheptane,15869-80-4,DTXSID50871242,51806,3-Ethylheptane,PSVQKOKKLWHNRP-UHFFFAOYSA-N,3-Ethylheptane,CCCCC(CC)CC,"InChI=1S/C9H20/c1-4-7-8-9(5-2)6-3/h9H,4-8H2,1-3H3",C9H20,128.1565006
901,"Nonane, 5-methyl-",15869-85-9,DTXSID2065961,27518,"Nonane, 5-methyl-",TYSIILFJZXHVPU-UHFFFAOYSA-N,5-Methylnonane,CCCCC(C)CCCC,"InChI=1S/C10H22/c1-4-6-8-10(3)9-7-5-2/h10H,4-9H2,1-3H3",C10H22,142.1721507
902,"3,5-Dimethyloctane",15869-93-9,DTXSID90871246,139989,"3,5-Dimethyloctane",VRHRGVJOUHJULC-UHFFFAOYSA-N,"3,5-Dimethyloctane",CCCC(C)CC(C)CC,"InChI=1S/C10H22/c1-5-7-10(4)8-9(3)6-2/h9-10H,5-8H2,1-4H3",C10H22,142.1721507
903,"1-Heptene, 2-methyl-",15870-10-7,DTXSID0074009,27519,"1-Heptene, 2-methyl-",RCBGGJURENJHKV-UHFFFAOYSA-N,2-Methylhept-1-ene,CCCCCC(C)=C,"InChI=1S/C8H16/c1-4-5-6-7-8(2)3/h2,4-7H2,1,3H3",C8H16,112.1252005
904,N-[[1-(2-Amino-1-oxopentyl)-3-piperidinyl]methyl]-N?-(4-methylphenyl)urea (ACI),1590507-22-4,,119310844,N-[[1-(2-Amino-1-oxopentyl)-3-piperidinyl]methyl]-N?-(4-methylphenyl)urea (ACI),ZDKZQBIEZFZARB-UHFFFAOYSA-N,1-[[1-(2-aminopentanoyl)piperidin-3-yl]methyl]-3-(4-methylphenyl)urea,O=C(NC1=CC=C(C=C1)C)NCC2CN(C(=O)C(N)CCC)CCC2,"InChI=1S/C19H30N4O2/c1-3-5-17(20)18(24)23-11-4-6-15(13-23)12-21-19(25)22-16-9-7-14(2)8-10-16/h7-10,15,17H,3-6,11-13,20H2,1-2H3,(H2,21,22,25)",C19H30N4O2,346.237
905,Calcium stearate,1592-23-0,DTXSID7027419,15324,Calcium stearate,CJZGTCYPCWQAJB-UHFFFAOYSA-L,Calcium dioctadecanoate,[Ca++].CCCCCCCCCCCCCCCCCC([O-])=O.CCCCCCCCCCCCCCCCCC([O-])=O,"InChI=1S/2C18H36O2.Ca/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2*2-17H2,1H3,(H,19,20);/q;;+2/p-2",C36H70CaO4,606.4900016
906,Dodemorph,1593-77-7,DTXSID5041019,61899,Dodemorph,JMXKCYUTURMERF-UHFFFAOYSA-N,"4-Cyclododecyl-2,6-dimethylmorpholine",CC1CN(CC(C)O1)C1CCCCCCCCCCC1,"InChI=1S/C18H35NO/c1-16-14-19(15-17(2)20-16)18-12-10-8-6-4-3-5-7-9-11-13-18/h16-18H,3-15H2,1-2H3",C18H35NO,281.2718648
907,"1,3,5-Benzenetricarboxylic acid, ester with 5,6,22,23,33,34,50,51,61,62,78,79-dodecadehydro-9,19,37,47,65,75-hexamethyl-1,83:7,11:12,16:17,21:27,29:35,39:40,44:45,49:55,57:63,67:68,72:73,77-dodecamethenohexabenzo[a,d,y,b1,w1,z1]cyclodoheptacontene-14,42,70-trimethanol (1:1) (ACI)",1593488-41-5,,54765336,"1,3,5-Benzenetricarboxylic acid, ester with 5,6,22,23,33,34,50,51,61,62,78,79-dodecadehydro-9,19,37,47,65,75-hexamethyl-1,83:7,11:12,16:17,21:27,29:35,39:40,44:45,49:55,57:63,67:68,72:73,77-dodecamethenohexabenzo[a,d,y,b1,w1,z1]cyclodoheptacontene-14,42,70-trimethanol (1:1) (ACI)",LQQLYJPTYSCTAZ-UHFFFAOYSA-N,,O=C1OCC=2C=C3C=C(C2)C4=CC(C#CC5=CC=CC=6C=C7C=CC=C(C#CC=8C=C(C=C(C8)C)C=9C=C%10C=C(C9)COC(=O)C=%11C=C1C=C(C%11)C(=O)OCC=%12C=C(C=C(C%12)C%13=CC(C#CC%14=CC=CC=%15C=C%16C=CC=C(C#CC=%17C=C%10C=C(C%17)C)C%16=CC%14%15)=CC(=C%13)C)C%18=CC(C#CC%19=CC=CC%20=CC=%21C=CC=C(C#CC=%22C=C3C=C(C%22)C)C%21C=C%19%20)=CC(=C%18)C)C7=CC56)=CC(=C4)C,"InChI=1S/C126H78O6/c1-76-37-82-25-31-91-13-7-19-97-61-98-20-8-14-92(119(98)70-118(91)97)33-27-84-39-78(3)45-105(51-84)111-57-89-58-112(65-111)106-46-80(5)41-86(53-106)29-35-95-17-11-23-101-63-102-24-12-18-96(123(102)72-122(95)101)36-30-87-42-81(6)48-108(54-87)114-60-90-59-113(66-114)107-47-79(4)40-85(52-107)28-34-94-16-10-22-100-62-99-21-9-15-93(120(99)71-121(94)100)32-26-83-38-77(2)44-104(50-83)110-56-88(55-109(64-110)103(43-76)49-82)73-130-124(127)115-67-116(125(128)131-74-89)69-117(68-115)126(129)132-75-90/h7-24,37-72H,73-75H2,1-6H3",C126H78O6,1686.58
908,Alachlor,15972-60-8,DTXSID1022265,2078,Alachlor,XCSGPAVHZFQHGE-UHFFFAOYSA-N,"2-Chloro-N-(2,6-diethylphenyl)-N-(methoxymethyl)acetamide",CCC1=CC=CC(CC)=C1N(COC)C(=O)CCl,"InChI=1S/C14H20ClNO2/c1-4-11-7-6-8-12(5-2)14(11)16(10-18-3)13(17)9-15/h6-8H,4-5,9-10H2,1-3H3",C14H20ClNO2,269.1182566
909,1-Docosene,1599-67-3,DTXSID5029219,74138,1-Docosene,SPURMHFLEKVAAS-UHFFFAOYSA-N,Docos-1-ene,CCCCCCCCCCCCCCCCCCCCC=C,"InChI=1S/C22H44/c1-3-5-7-9-11-13-15-17-19-21-22-20-18-16-14-12-10-8-6-4-2/h3H,1,4-22H2,2H3",C22H44,308.3443014
910,"Piperidine, 2-imino-, hydrochloride",16011-96-4,DTXSID50166802,85236,"Piperidine, 2-imino-, hydrochloride",ZHDTXTDHBRADLM-UHFFFAOYSA-N,"3,4,5,6-Tetrahydropyridin-2-amine--hydrogen chloride (1/1)",Cl.NC1=NCCCC1,"InChI=1S/C5H10N2.ClH/c6-5-3-1-2-4-7-5;/h1-4H2,(H2,6,7);1H",C5H11ClN2,134.0610761
911,"1,4-Naphthalenedione, 5-(3,7-dimethyl-2,6-octadienyl)-3,6-dihydroxy-2-methyl-, (E)- (9CI)",160209-94-9,,,"1,4-Naphthalenedione, 5-(3,7-dimethyl-2,6-octadienyl)-3,6-dihydroxy-2-methyl-, (E)- (9CI)",XHKLLPVKSUHZSJ-MDWZMJQESA-N,,O=C1C(O)=C(C(=O)C2=CC=C(O)C(=C12)CC=C(C)CCC=C(C)C)C,"InChI=1S/C21H24O4/c1-12(2)6-5-7-13(3)8-9-15-17(22)11-10-16-18(15)21(25)20(24)14(4)19(16)23/h6,8,10-11,22,24H,5,7,9H2,1-4H3",,
912,"Bicyclo[3.1.1]heptane, 6,6-dimethyl-3-methylene-",16022-04-1,DTXSID80340416,564541,"Bicyclo[3.1.1]heptane, 6,6-dimethyl-3-methylene-",AKTVSHXUPUGPRY-UHFFFAOYSA-N,"6,6-Dimethyl-3-methylidenebicyclo[3.1.1]heptane",[H]C12CC([H])(CC(=C)C1)C2(C)C,"InChI=1S/C10H16/c1-7-4-8-6-9(5-7)10(8,2)3/h8-9H,1,4-6H2,2-3H3",C10H16,136.1252005
913,"2(5H)-Furanone, 3-[2-hydroxy-7-[tetrahydro-5-(1,4,5,10-tetrahydroxynonadecyl)-2-furanyl]heptyl]-5-methyl-",160262-48-6,DTXSID601110917,131750933,"2(5H)-Furanone, 3-[2-hydroxy-7-[tetrahydro-5-(1,4,5,10-tetrahydroxynonadecyl)-2-furanyl]heptyl]-5-methyl-",PUEQYPBAQMXBCO-UHFFFAOYSA-N,,CCCCCCCCCC(O)CCCCC(O)C(O)CCC(O)C1CCC(CCCCCC(O)CC2=CC(C)OC2=O)O1,"InChI=1S/C35H64O8/c1-3-4-5-6-7-8-10-15-28(36)16-13-14-19-31(38)32(39)21-22-33(40)34-23-20-30(43-34)18-12-9-11-17-29(37)25-27-24-26(2)42-35(27)41/h24,26,28-34,36-40H,3-23,25H2,1-2H3",C35H64O8,612.460119
914,"1,4-Bis(1-methylethenyl)benzene",1605-18-1,DTXSID6038794,74148,"1,4-Bis(1-methylethenyl)benzene",ZENYUPUKNXGVDY-UHFFFAOYSA-N,"1,4-Di(prop-1-en-2-yl)benzene",CC(=C)C1=CC=C(C=C1)C(C)=C,"InChI=1S/C12H14/c1-9(2)11-5-7-12(8-6-11)10(3)4/h5-8H,1,3H2,2,4H3",C12H14,158.1095505
915,"1-Cyclohexene-1-carboxylic acid, 4-[(1R)-1,5-dimethyl-3-oxo-4-hexenyl]-, methyl ester, (4R)-",16060-78-9,DTXSID8075097,85259,"1-Cyclohexene-1-carboxylic acid, 4-[(1R)-1,5-dimethyl-3-oxo-4-hexenyl]-, methyl ester, (4R)-",DEMNMQDWPCIOLA-OLZOCXBDSA-N,Methyl (4R)-4-[(2R)-6-methyl-4-oxohept-5-en-2-yl]cyclohex-1-ene-1-carboxylate,COC(=O)C1=CC[C@@H](CC1)[C@H](C)CC(=O)C=C(C)C,"InChI=1S/C16H24O3/c1-11(2)9-15(17)10-12(3)13-5-7-14(8-6-13)16(18)19-4/h7,9,12-13H,5-6,8,10H2,1-4H3/t12-,13+/m1/s1",C16H24O3,264.1725446
916,4-Isopropylbenzenesulfonic acid,16066-35-6,DTXSID1044932,6640,4-Isopropylbenzenesulfonic acid,CVLHGLWXLDOELD-UHFFFAOYSA-N,4-(Propan-2-yl)benzene-1-sulfonic acid,CC(C)C1=CC=C(C=C1)S(O)(=O)=O,"InChI=1S/C9H12O3S/c1-7(2)8-3-5-9(6-4-8)13(10,11)12/h3-7H,1-2H3,(H,10,11,12)",C9H12O3S,200.0507154
917,"(3R,6S)-6-Hydroxy-12-methyl-2,5-dioxooxacyclododec-3-yl (2E)-4,11-dihydroxy-2-dodecenoate (ACI)",1609630-60-5,,72708564,"(3R,6S)-6-Hydroxy-12-methyl-2,5-dioxooxacyclododec-3-yl (2E)-4,11-dihydroxy-2-dodecenoate (ACI)",HZLJAFNAFLNMKB-QIWGMYPGSA-N,"[(3R,6S)-6-hydroxy-12-methyl-2,5-dioxo-oxacyclododec-3-yl] (E)-4,11-dihydroxydodec-2-enoate",O=C(OC1C(=O)OC(C)CCCCCC(O)C(=O)C1)C=CC(O)CCCCCCC(O)C,"InChI=1S/C24H40O8/c1-17(25)10-6-3-4-8-12-19(26)14-15-23(29)32-22-16-21(28)20(27)13-9-5-7-11-18(2)31-24(22)30/h14-15,17-20,22,25-27H,3-13,16H2,1-2H3",C24H40O8,456.272
918,"1-hexene, 4,5-dimethyl-",16106-59-5,DTXSID60871253,27683,"1-hexene, 4,5-dimethyl-",UFWIBUBEFUNVNI-UHFFFAOYSA-N,"4,5-Dimethylhex-1-ene",CC(C)C(C)CC=C,"InChI=1S/C8H16/c1-5-6-8(4)7(2)3/h5,7-8H,1,6H2,2-4H3",C8H16,112.1252005
919,N-Phenylmethacrylamide,1611-83-2,DTXSID20167063,74164,N-Phenylmethacrylamide,IJSVVICYGLOZHA-UHFFFAOYSA-N,2-Methyl-N-phenylprop-2-enamide,CC(=C)C(=O)NC1=CC=CC=C1,"InChI=1S/C10H11NO/c1-8(2)10(12)11-9-6-4-3-5-7-9/h3-7H,1H2,2H3,(H,11,12)",C10H11NO,161.084064
920,"Hydrazine, 1,2-diethyl-",1615-83-4,DTXSID40167161,74171,"Hydrazine, 1,2-diethyl-",BOOQVRGRSDTZRZ-UHFFFAOYSA-N,"1,2-Dipropylhydrazine",CCCNNCCC,"InChI=1S/C6H16N2/c1-3-5-7-8-6-4-2/h7-8H,3-6H2,1-2H3",C6H16N2,116.1313485
921,"naphthalene, decahydro-2,6-dimethyl-",1618-22-0,DTXSID30880791,15379,"naphthalene, decahydro-2,6-dimethyl-",XNOHNIPVHGINQP-UHFFFAOYSA-N,"2,6-Dimethyldecahydronaphthalene",CC1CCC2CC(C)CCC2C1,"InChI=1S/C12H22/c1-9-3-5-12-8-10(2)4-6-11(12)7-9/h9-12H,3-8H2,1-2H3",C12H22,166.1721507
922,"benzenepropanenitrile, .beta.-imino-",16187-90-9,DTXSID60880885,85323,"benzenepropanenitrile, .beta.-imino-",MKPPZAOYAOGVLX-UHFFFAOYSA-N,3-Imino-3-phenylpropanenitrile,N=C(CC#N)C1=CC=CC=C1,"InChI=1S/C9H8N2/c10-7-6-9(11)8-4-2-1-3-5-8/h1-5,11H,6H2",C9H8N2,144.0687483
923,"1,2,3,7,8,9-Hexabromodibenzo[b,d]furan",161880-49-5,DTXSID30936606,44151788,"1,2,3,7,8,9-Hexabromodibenzo[b,d]furan",BWGBHHLGDVHQEM-UHFFFAOYSA-N,"1,2,3,7,8,9-Hexabromodibenzo[b,d]furan",BrC1=CC2=C(C3=C(O2)C=C(Br)C(Br)=C3Br)C(Br)=C1Br,InChI=1S/C12H2Br6O/c13-3-1-5-7(11(17)9(3)15)8-6(19-5)2-4(14)10(16)12(8)18/h1-2H,C12H2Br6O,635.520593
924,"2,3,4,6,7,8-Hexabromodibenzo[b,d]furan",161880-50-8,DTXSID90936607,526307,"2,3,4,6,7,8-Hexabromodibenzo[b,d]furan",GKJPDCOZDNSVRH-UHFFFAOYSA-N,"2,3,4,6,7,8-Hexabromodibenzo[b,d]furan",BrC1=C(Br)C(Br)=C2OC3=C(Br)C(Br)=C(Br)C=C3C2=C1,InChI=1S/C12H2Br6O/c13-5-1-3-4-2-6(14)8(16)10(18)12(4)19-11(3)9(17)7(5)15/h1-2H,C12H2Br6O,635.520593
925,"1,2,3,4,7,8,9-Heptabromodibenzo[b,d]furan",161880-51-9,DTXSID50936608,44152416,"1,2,3,4,7,8,9-Heptabromodibenzo[b,d]furan",RFUPGXOBNPMYIM-UHFFFAOYSA-N,"1,2,3,4,7,8,9-Heptabromodibenzo[b,d]furan",BrC1=CC2=C(C3=C(Br)C(Br)=C(Br)C(Br)=C3O2)C(Br)=C1Br,InChI=1S/C12HBr7O/c13-2-1-3-4(7(15)6(2)14)5-8(16)9(17)10(18)11(19)12(5)20-3/h1H,C12HBr7O,713.431106
926,"3,5-Di-tert-butyl-4-hydroxybenzaldehyde",1620-98-0,DTXSID7057658,73219,"3,5-Di-tert-butyl-4-hydroxybenzaldehyde",DOZRDZLFLOODMB-UHFFFAOYSA-N,"3,5-Di-tert-butyl-4-hydroxybenzaldehyde",CC(C)(C)C1=CC(C=O)=CC(=C1O)C(C)(C)C,"InChI=1S/C15H22O2/c1-14(2,3)11-7-10(9-16)8-12(13(11)17)15(4,5)6/h7-9,17H,1-6H3",C15H22O2,234.1619799
927,"3,5-Bis(tert-butyl)benzoic acid",16225-26-6,DTXSID20167341,85339,"3,5-Bis(tert-butyl)benzoic acid",NCTSLPBQVXUAHR-UHFFFAOYSA-N,"3,5-Di-tert-butylbenzoic acid",CC(C)(C)C1=CC(=CC(=C1)C(O)=O)C(C)(C)C,"InChI=1S/C15H22O2/c1-14(2,3)11-7-10(13(16)17)8-12(9-11)15(4,5)6/h7-9H,1-6H3,(H,16,17)",C15H22O2,234.1619799
929,"2-Amino-2-tetradecyl-1,3-propanediol (ACI)",162359-72-0,,9860720,"2-Amino-2-tetradecyl-1,3-propanediol (ACI)",BXIWYZLGTUWLCD-UHFFFAOYSA-N,"2-amino-2-tetradecylpropane-1,3-diol",OCC(N)(CO)CCCCCCCCCCCCCC,"InChI=1S/C17H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(18,15-19)16-20/h19-20H,2-16,18H2,1H3",C17H37NO2,287.282
930,3-Methyleneheptane,1632-16-2,DTXSID7051769,15404,3-Methyleneheptane,XTVRLCUJHGUXCP-UHFFFAOYSA-N,3-Methylideneheptane,CCCCC(=C)CC,"InChI=1S/C8H16/c1-4-6-7-8(3)5-2/h3-7H2,1-2H3",C8H16,112.1252005
931,5-methylundecane,1632-70-8,DTXSID201015959,94213,5-methylundecane,QULNVKABFWNUCW-UHFFFAOYSA-N,5-Methylundecane,CCCCCCC(C)CCCC,"InChI=1S/C12H26/c1-4-6-8-9-11-12(3)10-7-5-2/h12H,4-11H2,1-3H3",C12H26,170.2034508
932,Fenchol,1632-73-1,DTXSID1041970,15406,Fenchol,IAIHUHQCLTYTSF-UHFFFAOYSA-N,"1,3,3-Trimethylbicyclo[2.2.1]heptan-2-ol",CC1(C)C2CCC(C)(C2)C1O,"InChI=1S/C10H18O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7-8,11H,4-6H2,1-3H3",C10H18O,154.1357652
933,"2,4,4-Trimethyl-1-pentanol",16325-63-6,DTXSID301311590,85984,"2,4,4-Trimethyl-1-pentanol",ZNRVRWHPZZOTIE-UHFFFAOYSA-N,"2,4,4-Trimethylpentan-1-ol",CC(CO)CC(C)(C)C,"InChI=1S/C8H18O/c1-7(6-9)5-8(2,3)4/h7,9H,5-6H2,1-4H3",C8H18O,130.1357652
934,[2.2]Paracyclophane,1633-22-3,DTXSID9061835,74210,[2.2]Paracyclophane,OOLUVSIJOMLOCB-UHFFFAOYSA-N,"Tricyclo[8.2.2.2~4,7~]hexadeca-1(12),4,6,10,13,15-hexaene",C1CC2=CC=C(CCC3=CC=C1C=C3)C=C2,"InChI=1S/C16H16/c1-2-14-4-3-13(1)9-10-15-5-7-16(8-6-15)12-11-14/h1-8H,9-12H2",C16H16,208.1252005
935,Methyl tert-butyl ether,1634-04-4,DTXSID3020833,15413,Methyl tert-butyl ether,BZLVMXJERCGZMT-UHFFFAOYSA-N,2-Methoxy-2-methylpropane,COC(C)(C)C,"InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3",C5H12O,88.08881501
936,"2,2?-Dimethyldiphenylmethane",1634-74-8,,569074,"2,2?-Dimethyldiphenylmethane",ZZFUVPDOJGQTKI-UHFFFAOYSA-N,1-methyl-2-[(2-methylphenyl)methyl]benzene,C=1C=CC(=C(C1)C)CC=2C=CC=CC2C,"InChI=1S/C15H16/c1-12-7-3-5-9-14(12)11-15-10-6-4-8-13(15)2/h3-10H,11H2,1-2H3",C15H16,196.125
937,Bicyclopentyl,1636-39-1,DTXSID80167625,15417,Bicyclopentyl,MAWOHFOSAIXURX-UHFFFAOYSA-N,"1,1'-Bi(cyclopentane)",C1CCC(C1)C1CCCC1,"InChI=1S/C10H18/c1-2-6-9(5-1)10-7-3-4-8-10/h9-10H,1-8H2",C10H18,138.1408506
938,"2,3-Dihydroxypropyl (6E)-7,11,15-trimethyl-3-oxo-6-hexadecenoate (ACI)",1637238-29-9,,,"2,3-Dihydroxypropyl (6E)-7,11,15-trimethyl-3-oxo-6-hexadecenoate (ACI)",FAOWADWEJHIPIS-XDHOZWIPNA-N,,O=C(OCC(O)CO)CC(=O)CCC=C(C)CCCC(C)CCCC(C)C,"InChI=1S/C22H40O5/c1-17(2)8-5-9-18(3)10-6-11-19(4)12-7-13-20(24)14-22(26)27-16-21(25)15-23/h12,17-18,21,23,25H,5-11,13-16H2,1-4H3",,
939,"2-Propanol, 1,1'-[(1-methyl-1,2-ethanediyl)bis(oxy)]bis-",1638-16-0,DTXSID4041448,92896,"2-Propanol, 1,1'-[(1-methyl-1,2-ethanediyl)bis(oxy)]bis-",LEQCJROTXBYLEU-UHFFFAOYSA-N,"1,1'-[Propane-1,2-diylbis(oxy)]di(propan-2-ol)",CC(O)COCC(C)OCC(C)O,"InChI=1S/C9H20O4/c1-7(10)4-12-6-9(3)13-5-8(2)11/h7-11H,4-6H2,1-3H3",C9H20O4,192.1361591
940,2-Ethylhexyl 4-methylbenzoate (ACI),16397-65-2,,576673,2-Ethylhexyl 4-methylbenzoate (ACI),TWNIZMMQPHBJLJ-UHFFFAOYSA-N,2-ethylhexyl 4-methylbenzoate,O=C(OCC(CC)CCCC)C1=CC=C(C=C1)C,"InChI=1S/C16H24O2/c1-4-6-7-14(5-2)12-18-16(17)15-10-8-13(3)9-11-15/h8-11,14H,4-7,12H2,1-3H3",C16H24O2,248.178
941,"m-toluic acid, 2-ethylhexyl ester",16397-66-3,DTXSID90880818,576674,"m-toluic acid, 2-ethylhexyl ester",FFYKMINFEGZHCA-UHFFFAOYSA-N,2-Ethylhexyl 3-methylbenzoate,CCCCC(CC)COC(=O)C1=CC=CC(C)=C1,"InChI=1S/C16H24O2/c1-4-6-9-14(5-2)12-18-16(17)15-10-7-8-13(3)11-15/h7-8,10-11,14H,4-6,9,12H2,1-3H3",C16H24O2,248.17763
942,"Cyclopentanecarboxylic acid, 1-ethyl-2-oxo-, ethyl ester (6CI, 8CI, 9CI, ACI)",16428-99-2,,10607544,"Cyclopentanecarboxylic acid, 1-ethyl-2-oxo-, ethyl ester (6CI, 8CI, 9CI, ACI)",OHDZSMOOVOPGAC-UHFFFAOYSA-N,ethyl 1-ethyl-2-oxocyclopentane-1-carboxylate,O=C(OCC)C1(C(=O)CCC1)CC,"InChI=1S/C10H16O3/c1-3-10(9(12)13-4-2)7-5-6-8(10)11/h3-7H2,1-2H3",C10H16O3,184.11
943,"2,6-Dibromo-4-[1-[3,5-dibromo-4-(2-oxiranylmethoxy)phenyl]-1-methylethyl]phenol (ACI)",1643949-71-6,,88941021,"2,6-Dibromo-4-[1-[3,5-dibromo-4-(2-oxiranylmethoxy)phenyl]-1-methylethyl]phenol (ACI)",BIUMUSOKKZEHBH-UHFFFAOYSA-N,"2,6-dibromo-4-[2-[3,5-dibromo-4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenol",BrC=1C=C(C=C(Br)C1O)C(C2=CC(Br)=C(OCC3OC3)C(Br)=C2)(C)C,"InChI=1S/C18H16Br4O3/c1-18(2,9-3-12(19)16(23)13(20)4-9)10-5-14(21)17(15(22)6-10)25-8-11-7-24-11/h3-6,11,23H,7-8H2,1-2H3",C18H16Br4O3,595.783
944,(9Z)-1-Chloro-9-octadecene,16507-61-2,DTXSID101311001,5367784,(9Z)-1-Chloro-9-octadecene,IFABLCIRROMTAN-KTKRTIGZSA-N,(9Z)-1-Chlorooctadec-9-ene,CCCCCCCC\C=C/CCCCCCCCCl,"InChI=1S/C18H35Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h9-10H,2-8,11-18H2,1H3/b10-9-",C18H35Cl,286.2427288
945,6-Methyl-1-heptanol,1653-40-3,DTXSID50872375,15450,6-Methyl-1-heptanol,BWDBEAQIHAEVLV-UHFFFAOYSA-N,6-Methylheptan-1-ol,CC(C)CCCCCO,"InChI=1S/C8H18O/c1-8(2)6-4-3-5-7-9/h8-9H,3-7H2,1-2H3",C8H18O,130.1357652
946,Octahydroacridine,1658-08-8,DTXSID00862726,74263,Octahydroacridine,LLCXJIQXTXEQID-UHFFFAOYSA-N,"1,2,3,4,5,6,7,8-Octahydroacridine",C1CCC2=NC3=C(CCCC3)C=C2C1,"InChI=1S/C13H17N/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12/h9H,1-8H2",C13H17N,187.1360996
947,"naphtho[2,3-b]thiophene, 4,9-dimethyl-",16587-34-1,DTXSID00880804,611415,"naphtho[2,3-b]thiophene, 4,9-dimethyl-",VFABQOLTPSBUSZ-UHFFFAOYSA-N,"4,9-Dimethylnaphtho[2,3-b]thiophene",CC1=C2SC=CC2=C(C)C2=CC=CC=C12,"InChI=1S/C14H12S/c1-9-11-5-3-4-6-12(11)10(2)14-13(9)7-8-15-14/h3-8H,1-2H3",C14H12S,212.0659716
948,"2,4',5-Trichlorobiphenyl",16606-02-3,DTXSID9073410,27960,"2,4',5-Trichlorobiphenyl",VAHKBZSAUKPEOV-UHFFFAOYSA-N,"2,4',5-Trichloro-1,1'-biphenyl",ClC1=CC=C(C=C1)C1=C(Cl)C=CC(Cl)=C1,InChI=1S/C12H7Cl3/c13-9-3-1-8(2-4-9)11-7-10(14)5-6-12(11)15/h1-7H,C12H7Cl3,255.9613333
949,"2,4-Diphenyl-1-butene",16606-47-6,DTXSID50168068,519286,"2,4-Diphenyl-1-butene",PWSZACWUDDFZMQ-UHFFFAOYSA-N,"1,1'-(But-1-ene-2,4-diyl)dibenzene",C=C(CCC1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C16H16/c1-14(16-10-6-3-7-11-16)12-13-15-8-4-2-5-9-15/h2-11H,1,12-13H2",C16H16,208.1252005
950,3-Ethylidenecyclohexene (ACI),16631-62-2,,140112,3-Ethylidenecyclohexene (ACI),HCKKIWXIMBMLCD-UHFFFAOYSA-N,3-ethylidenecyclohexene,C1=CCCCC1=CC,"InChI=1S/C8H12/c1-2-8-6-4-3-5-7-8/h2,4,6H,3,5,7H2,1H3",C8H12,108.094
951,"Diisononyl cyclohexane-1,2-dicarboxylate",166412-78-8,DTXSID8047395,,"Diisononyl cyclohexane-1,2-dicarboxylate",,,,,,
952,1-(4-Methylphenyl)-1-pentanone,1671-77-8,DTXSID40870926,74284,1-(4-Methylphenyl)-1-pentanone,BCVCZJADTSTKNH-UHFFFAOYSA-N,1-(4-Methylphenyl)pentan-1-one,CCCCC(=O)C1=CC=C(C)C=C1,"InChI=1S/C12H16O/c1-3-4-5-12(13)11-8-6-10(2)7-9-11/h6-9H,3-5H2,1-2H3",C12H16O,176.1201151
953,Cyclohexyl hexadecanoate,1673-08-1,DTXSID40937306,74288,Cyclohexyl hexadecanoate,BMZOQYYROAVSAP-UHFFFAOYSA-N,Cyclohexyl hexadecanoate,CCCCCCCCCCCCCCCC(=O)OC1CCCCC1,"InChI=1S/C22H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-22(23)24-21-18-15-14-16-19-21/h21H,2-20H2,1H3",C22H42O2,338.3184806
954,"2,2,3-Trimethylhexane",16747-25-4,DTXSID20274842,28021,"2,2,3-Trimethylhexane",CBVFSZDQEHBJEQ-UHFFFAOYSA-N,"2,2,3-Trimethylhexane",CCCC(C)C(C)(C)C,"InChI=1S/C9H20/c1-6-7-8(2)9(3,4)5/h8H,6-7H2,1-5H3",C9H20,128.1565006
955,"3-Ethyl-2,2-dimethylpentane",16747-32-3,DTXSID00168290,28026,"3-Ethyl-2,2-dimethylpentane",CLZCPQKGOAXOJT-UHFFFAOYSA-N,"3-Ethyl-2,2-dimethylpentane",CCC(CC)C(C)(C)C,"InChI=1S/C9H20/c1-6-8(7-2)9(3,4)5/h8H,6-7H2,1-5H3",C9H20,128.1565006
956,Bisphenol A diglycidyl ether,1675-54-3,DTXSID6024624,2286,Bisphenol A diglycidyl ether,LCFVJGUPQDGYKZ-UHFFFAOYSA-N,"2,2'-{Propane-2,2-diylbis[(4,1-phenylene)oxymethylene]}bis(oxirane)",CC(C)(C1=CC=C(OCC2CO2)C=C1)C1=CC=C(OCC2CO2)C=C1,"InChI=1S/C21H24O4/c1-21(2,15-3-7-17(8-4-15)22-11-19-13-24-19)16-5-9-18(10-6-16)23-12-20-14-25-20/h3-10,19-20H,11-14H2,1-2H3",C21H24O4,340.1674593
957,2-[Di(sec-butoxy)methoxy]butane,16754-48-6,DTXSID10338083,546242,2-[Di(sec-butoxy)methoxy]butane,IFHAZTNQCKGTRS-UHFFFAOYSA-N,2-{Bis[(butan-2-yl)oxy]methoxy}butane,CCC(C)OC(OC(C)CC)OC(C)CC,"InChI=1S/C13H28O3/c1-7-10(4)14-13(15-11(5)8-2)16-12(6)9-3/h10-13H,7-9H2,1-6H3",C13H28O3,232.2038448
958,Ethylcyclohexane,1678-91-7,DTXSID1051779,15504,Ethylcyclohexane,IIEWJVIFRVWJOD-UHFFFAOYSA-N,Ethylcyclohexane,CCC1CCCCC1,"InChI=1S/C8H16/c1-2-8-6-4-3-5-7-8/h8H,2-7H2,1H3",C8H16,112.1252005
959,Butylcyclohexane,1678-93-9,DTXSID0061876,15506,Butylcyclohexane,GGBJHURWWWLEQH-UHFFFAOYSA-N,Butylcyclohexane,CCCCC1CCCCC1,"InChI=1S/C10H20/c1-2-3-7-10-8-5-4-6-9-10/h10H,2-9H2,1H3",C10H20,140.1565006
960,"1,1-Dimethylethyl 2-methylpropanoate (ACI)",16889-72-8,DTXSID601347433,519334,2-Methyl-2-propanyl 2-methylpropanoate,KVWOTUDBCFBGFJ-UHFFFAOYSA-N,,CC(C)C(=O)OC(C)(C)C,"InChI=1S/C8H16O2/c1-6(2)7(9)10-8(3,4)5/h6H,1-5H3",C8H16O2,144.1150298
961,"1-[[4-(1,4,7,11-Tetraazacyclotetradec-11-ylmethyl)phenyl]methyl]-1,5,9,13-tetraazacyclohexadecane (ACI)",169783-50-0,,460336,"1-[[4-(1,4,7,11-Tetraazacyclotetradec-11-ylmethyl)phenyl]methyl]-1,5,9,13-tetraazacyclohexadecane (ACI)",JCGWGPDKVKUQKV-UHFFFAOYSA-N,"1-[[4-(1,4,7,11-tetrazacyclotetradec-11-ylmethyl)phenyl]methyl]-1,5,9,13-tetrazacyclohexadecane",C=1C=C(C=CC1CN2CCCNCCNCCNCCC2)CN3CCCNCCCNCCCNCCC3,"InChI=1S/C30H58N8/c1-11-31-12-2-14-33-16-4-24-37(23-3-15-32-13-1)27-29-7-9-30(10-8-29)28-38-25-5-17-34-19-21-36-22-20-35-18-6-26-38/h7-10,31-36H,1-6,11-28H2",C30H58N8,530.478
962,"Decanoic acid, 1,1?-(1-methyl-1,2-ethanediyl) ester, mixt. with 1,1?-(1-methyl-1,2-ethanediyl) dioctanoate (ACI)",1698017-87-6,,91824753,"Decanoic acid, 1,1?-(1-methyl-1,2-ethanediyl) ester, mixt. with 1,1?-(1-methyl-1,2-ethanediyl) dioctanoate (ACI)",JVTIXNMXDLQEJE-UHFFFAOYSA-N,2-decanoyloxypropyl decanoate;2-octanoyloxypropyl octanoate,O=C(OCC(OC(=O)CCCCCCC)C)CCCCCCC.O=C(OCC(OC(=O)CCCCCCCCC)C)CCCCCCCCC,"InChI=1S/C23H44O4.C19H36O4/c1-4-6-8-10-12-14-16-18-22(24)26-20-21(3)27-23(25)19-17-15-13-11-9-7-5-2;1-4-6-8-10-12-14-18(20)22-16-17(3)23-19(21)15-13-11-9-7-5-2/h21H,4-20H2,1-3H3;17H,4-16H2,1-3H3",C42H80O8,712.585
963,1-(3-Methylbutyl)-4-nitro-1H-pyrazole-3-carboxylic acid (ACI),1699216-03-9,,107345581,1-(3-Methylbutyl)-4-nitro-1H-pyrazole-3-carboxylic acid (ACI),BKXKJTBCCCJJDP-UHFFFAOYSA-N,1-(3-methylbutyl)-4-nitropyrazole-3-carboxylic acid,O=C(O)C1=NN(C=C1N(=O)=O)CCC(C)C,"InChI=1S/C9H13N3O4/c1-6(2)3-4-11-5-7(12(15)16)8(10-11)9(13)14/h5-6H,3-4H2,1-2H3,(H,13,14)",C9H13N3O4,227.091
964,3-Methyl-3-(4-methyl-3-penten-1-yl)-2-oxiranecarboxaldehyde (ACI),16996-12-6,,534994,3-Methyl-3-(4-methyl-3-penten-1-yl)-2-oxiranecarboxaldehyde (ACI),KXDDDNKGVUBFQS-UHFFFAOYSA-N,3-methyl-3-(4-methylpent-3-enyl)oxirane-2-carbaldehyde,O=CC1OC1(C)CCC=C(C)C,"InChI=1S/C10H16O2/c1-8(2)5-4-6-10(3)9(7-11)12-10/h5,7,9H,4,6H2,1-3H3",C10H16O2,168.115
965,"1,2-Dimethyl-9H-fluorene (ACI)",17057-96-4,,19978439,"1,2-Dimethyl-9H-fluorene (ACI)",CRXBTDWNHVBEIC-UHFFFAOYSA-N,"1,2-dimethyl-9H-fluorene",C=1C=CC2=C(C1)C3=CC=C(C(=C3C2)C)C,"InChI=1S/C15H14/c1-10-7-8-14-13-6-4-3-5-12(13)9-15(14)11(10)2/h3-8H,9H2,1-2H3",C15H14,194.11
966,Hexyl octyl ether,17071-54-4,DTXSID40333985,519362,Hexyl octyl ether,KUTWKGLRMXBROO-UHFFFAOYSA-N,1-(Hexyloxy)octane,CCCCCCCCOCCCCCC,"InChI=1S/C14H30O/c1-3-5-7-9-10-12-14-15-13-11-8-6-4-2/h3-14H2,1-2H3",C14H30O,214.2296656
967,"(5R,6R)-6-Ethyl-5,6,7,8-tetrahydro-5-hydroxy-3-(methoxymethyl)-4H-1-benzopyran-4-one (ACI)",1707269-00-8,,102142197,"(5R,6R)-6-Ethyl-5,6,7,8-tetrahydro-5-hydroxy-3-(methoxymethyl)-4H-1-benzopyran-4-one (ACI)",WQNHLSNFCSLZQY-PRHODGIISA-N,"(5R,6R)-6-ethyl-5-hydroxy-3-(methoxymethyl)-5,6,7,8-tetrahydrochromen-4-one",O=C1C(=COC2=C1C(O)C(CC)CC2)COC,"InChI=1S/C13H18O4/c1-3-8-4-5-10-11(12(8)14)13(15)9(6-16-2)7-17-10/h7-8,12,14H,3-6H2,1-2H3",C13H18O4,238.121
968,Ionox 330,1709-70-2,DTXSID6027428,74370,Ionox 330,VSAWBBYYMBQKIK-UHFFFAOYSA-N,"4,4',4''-[(2,4,6-Trimethylbenzene-1,3,5-triyl)tris(methylene)]tris(2,6-di-tert-butylphenol)",CC1=C(CC2=CC(=C(O)C(=C2)C(C)(C)C)C(C)(C)C)C(C)=C(CC2=CC(=C(O)C(=C2)C(C)(C)C)C(C)(C)C)C(C)=C1CC1=CC(=C(O)C(=C1)C(C)(C)C)C(C)(C)C,"InChI=1S/C54H78O3/c1-31-37(22-34-25-40(49(4,5)6)46(55)41(26-34)50(7,8)9)32(2)39(24-36-29-44(53(16,17)18)48(57)45(30-36)54(19,20)21)33(3)38(31)23-35-27-42(51(10,11)12)47(56)43(28-35)52(13,14)15/h25-30,55-57H,22-24H2,1-21H3",C54H78O3,774.5950964
969,Dihydroactinidiolide,17092-92-1,DTXSID801028845,6432173,Dihydroactinidiolide,IMKHDCBNRDRUEB-LLVKDONJSA-N,,C[C@@]12CCCC(C)(C)C1=CC(=O)O2,"InChI=1S/C11H16O2/c1-10(2)5-4-6-11(3)8(10)7-9(12)13-11/h7H,4-6H2,1-3H3/t11-/m1/s1",C11H16O2,180.1150298
970,"(2R,3S,4R)-3-Amino-2,4-nonadecanediol (ACI)",1715915-71-1,,118735815,"(2R,3S,4R)-3-Amino-2,4-nonadecanediol (ACI)",HPIGIWBWNZJIGV-QRVBRYPASA-N,"(2R,3S,4R)-3-aminononadecane-2,4-diol",OC(C)C(N)C(O)CCCCCCCCCCCCCCC,"InChI=1S/C19H41NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(22)19(20)17(2)21/h17-19,21-22H,3-16,20H2,1-2H3",C19H41NO2,315.314
971,"1,1-Dichloro-1-fluoroethane",1717-00-6,DTXSID2020422,15586,"1,1-Dichloro-1-fluoroethane",FRCHKSNAZZFGCA-UHFFFAOYSA-N,"1,1-Dichloro-1-fluoroethane",CC(F)(Cl)Cl,"InChI=1S/C2H3Cl2F/c1-2(3,4)5/h1H3",C2H3Cl2F,115.9595837
972,"2,4-Dibromo-1-phenoxybenzene",171977-44-9,DTXSID70565813,14942774,"2,4-Dibromo-1-phenoxybenzene",JMCIHKKTRDLVCO-UHFFFAOYSA-N,"2,4-Dibromo-1-phenoxybenzene",BrC1=CC(Br)=C(OC2=CC=CC=C2)C=C1,InChI=1S/C12H8Br2O/c13-9-6-7-12(11(14)8-9)15-10-4-2-1-3-5-10/h1-8H,C12H8Br2O,325.894191
973,"4,4'-Propane-1,3-diyldipyridine",17252-51-6,DTXSID6044852,87019,"4,4'-Propane-1,3-diyldipyridine",OGNCVVRIKNGJHQ-UHFFFAOYSA-N,"4,4'-(Propane-1,3-diyl)dipyridine",C(CC1=CC=NC=C1)CC1=CC=NC=C1,"InChI=1S/C13H14N2/c1(2-12-4-8-14-9-5-12)3-13-6-10-15-11-7-13/h4-11H,1-3H2",C13H14N2,198.1156985
974,p-tert-Butylphenetole,17269-94-2,DTXSID30169371,28439,p-tert-Butylphenetole,RMSGBIDKBWPHMJ-UHFFFAOYSA-N,1-tert-Butyl-4-ethoxybenzene,CCOC1=CC=C(C=C1)C(C)(C)C,"InChI=1S/C12H18O/c1-5-13-11-8-6-10(7-9-11)12(2,3)4/h6-9H,5H2,1-4H3",C12H18O,178.1357652
975,Dihydro-beta-ionone,17283-81-7,DTXSID4047200,519382,Dihydro-beta-ionone,QJJDNZGPQDGNDX-UHFFFAOYSA-N,"4-(2,6,6-Trimethylcyclohex-1-en-1-yl)butan-2-one",CC(=O)CCC1=C(C)CCCC1(C)C,"InChI=1S/C13H22O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h5-9H2,1-4H3",C13H22O,194.1670653
976,"1,1?,1??-(1-Methyl-1,3,5-pentanetriyl)tris[benzene] (ACI)",17293-59-3,,86538,"1,1?,1??-(1-Methyl-1,3,5-pentanetriyl)tris[benzene] (ACI)",SLSYKXXGNBFGEK-UHFFFAOYSA-N,"1,5-diphenylhexan-3-ylbenzene",C=1C=CC(=CC1)CCC(C=2C=CC=CC2)CC(C=3C=CC=CC3)C,"InChI=1S/C24H26/c1-20(22-13-7-3-8-14-22)19-24(23-15-9-4-10-16-23)18-17-21-11-5-2-6-12-21/h2-16,20,24H,17-19H2,1H3",C24H26,314.203
977,1-Methylfluorene,1730-37-6,DTXSID4061919,15604,1-Methylfluorene,GKEUODMJRFDLJY-UHFFFAOYSA-N,1-Methyl-9H-fluorene,CC1=CC=CC2=C1CC1=C2C=CC=C1,"InChI=1S/C14H12/c1-10-5-4-8-13-12-7-3-2-6-11(12)9-14(10)13/h2-8H,9H2,1H3",C14H12,180.0939004
978,"2,6-Dimethylundecane",17301-23-4,DTXSID2058623,28453,"2,6-Dimethylundecane",MFUPKUZLTKVMFM-UHFFFAOYSA-N,"2,6-Dimethylundecane",CCCCCC(C)CCCC(C)C,"InChI=1S/C13H28/c1-5-6-7-10-13(4)11-8-9-12(2)3/h12-13H,5-11H2,1-4H3",C13H28,184.2191009
979,"3,6-Dimethylundecane",17301-28-9,DTXSID7058624,86539,"3,6-Dimethylundecane",WLUQEGDKTQZXBV-UHFFFAOYSA-N,"3,6-Dimethylundecane",CCCCCC(C)CCC(C)CC,"InChI=1S/C13H28/c1-5-7-8-9-13(4)11-10-12(3)6-2/h12-13H,5-11H2,1-4H3",C13H28,184.2191009
980,"undecane, 3,8-dimethyl-",17301-30-3,DTXSID50880814,86540,"undecane, 3,8-dimethyl-",WOGVWUCXENBLIV-UHFFFAOYSA-N,"3,8-Dimethylundecane",CCCC(C)CCCCC(C)CC,"InChI=1S/C13H28/c1-5-9-13(4)11-8-7-10-12(3)6-2/h12-13H,5-11H2,1-4H3",C13H28,184.2191009
981,3-Ethyl-3-methylheptane,17302-01-1,DTXSID10169495,140213,3-Ethyl-3-methylheptane,HSOMNBKXPGCNBH-UHFFFAOYSA-N,3-Ethyl-3-methylheptane,CCCCC(C)(CC)CC,"InChI=1S/C10H22/c1-5-8-9-10(4,6-2)7-3/h5-9H2,1-4H3",C10H22,142.1721507
982,"2,6-Dimethylnonane",17302-28-2,DTXSID80938276,28457,"2,6-Dimethylnonane",MGNGOEWESNDQAN-UHFFFAOYSA-N,"2,6-Dimethylnonane",CCCC(C)CCCC(C)C,"InChI=1S/C11H24/c1-5-7-11(4)9-6-8-10(2)3/h10-11H,5-9H2,1-4H3",C11H24,156.1878008
983,"3,7-Dimethylnonane",17302-32-8,DTXSID80873315,28458,"3,7-Dimethylnonane",YGPVLXJHRFZYJJ-UHFFFAOYSA-N,"3,7-Dimethylnonane",CCC(C)CCCC(C)CC,"InChI=1S/C11H24/c1-5-10(3)8-7-9-11(4)6-2/h10-11H,5-9H2,1-4H3",C11H24,156.1878008
984,Methyl undecanoate,1731-86-8,DTXSID3061922,15607,Methyl undecanoate,XPQPWPZFBULGKT-UHFFFAOYSA-N,Methyl undecanoate,CCCCCCCCCCC(=O)OC,"InChI=1S/C12H24O2/c1-3-4-5-6-7-8-9-10-11-12(13)14-2/h3-11H2,1-2H3",C12H24O2,200.17763
985,Methyl tridecanoate,1731-88-0,DTXSID8061923,15608,Methyl tridecanoate,JNDDPBOKWCBQSM-UHFFFAOYSA-N,Methyl tridecanoate,CCCCCCCCCCCCC(=O)OC,"InChI=1S/C14H28O2/c1-3-4-5-6-7-8-9-10-11-12-13-14(15)16-2/h3-13H2,1-2H3",C14H28O2,228.2089301
986,Methyl heptadecanoate,1731-92-6,DTXSID3061924,15609,Methyl heptadecanoate,HUEBIMLTDXKIPR-UHFFFAOYSA-N,Methyl heptadecanoate,CCCCCCCCCCCCCCCCC(=O)OC,"InChI=1S/C18H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20-2/h3-17H2,1-2H3",C18H36O2,284.2715304
987,"3,7-Dimethyldecane",17312-54-8,DTXSID80864768,28468,"3,7-Dimethyldecane",VDAVEASVPZDNQB-UHFFFAOYSA-N,"3,7-Dimethyldecane",CCCC(C)CCCC(C)CC,"InChI=1S/C12H26/c1-5-8-12(4)10-7-9-11(3)6-2/h11-12H,5-10H2,1-4H3",C12H26,170.2034508
988,3-Methyldodecane,17312-57-1,DTXSID00873317,28469,3-Methyldodecane,GRJUENNHVNYCHD-UHFFFAOYSA-N,3-Methyldodecane,CCCCCCCCCC(C)CC,"InChI=1S/C13H28/c1-4-6-7-8-9-10-11-12-13(3)5-2/h13H,4-12H2,1-3H3",C13H28,184.2191009
989,3-Ethylundecane,17312-58-2,DTXSID10334000,519397,3-Ethylundecane,NJDOLAPZCLPAHZ-UHFFFAOYSA-N,3-Ethylundecane,CCCCCCCCC(CC)CC,"InChI=1S/C13H28/c1-4-7-8-9-10-11-12-13(5-2)6-3/h13H,4-12H2,1-3H3",C13H28,184.2191009
990,Dimethyl nonanedioate,1732-10-1,DTXSID1044807,15612,Dimethyl nonanedioate,DRUKNYVQGHETPO-UHFFFAOYSA-N,Dimethyl nonanedioate,COC(=O)CCCCCCCC(=O)OC,"InChI=1S/C11H20O4/c1-14-10(12)8-6-4-3-5-7-9-11(13)15-2/h3-9H2,1-2H3",C11H20O4,216.1361591
991,"1,2,3,6,7,8-Hexahydropyrene",1732-13-4,DTXSID60169541,74417,"1,2,3,6,7,8-Hexahydropyrene",MBAIEZXRGAOPKH-UHFFFAOYSA-N,"1,2,3,6,7,8-Hexahydropyrene",C1CC2=CC=C3CCCC4=C3C2=C(C1)C=C4,"InChI=1S/C16H16/c1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14/h7-10H,1-6H2",C16H16,208.1252005
992,"O,O-Dimethyl phosphoramidothioate",17321-47-0,DTXSID4027789,87048,"O,O-Dimethyl phosphoramidothioate",NKYPKIVMIGIWOB-UHFFFAOYSA-N,"O,O-Dimethyl phosphoramidothioate",COP(N)(=S)OC,"InChI=1S/C2H8NO2PS/c1-4-6(3,7)5-2/h1-2H3,(H2,3,7)",C2H8NO2PS,141.0013367
993,tert-Butyl isopropyl ether,17348-59-3,DTXSID4051792,28488,tert-Butyl isopropyl ether,HNFSPSWQNZVCTB-UHFFFAOYSA-N,2-Methyl-2-[(propan-2-yl)oxy]propane,CC(C)OC(C)(C)C,"InChI=1S/C7H16O/c1-6(2)8-7(3,4)5/h6H,1-5H3",C7H16O,116.1201151
994,"1,4-Bis(butylamino)anthracene-9,10-dione",17354-14-2,DTXSID5044605,3766139,"1,4-Bis(butylamino)anthracene-9,10-dione",OCQDPIXQTSYZJL-UHFFFAOYSA-N,"1,4-Bis(butylamino)anthracene-9,10-dione",CCCCNC1=CC=C(NCCCC)C2=C1C(=O)C1=C(C=CC=C1)C2=O,"InChI=1S/C22H26N2O2/c1-3-5-13-23-17-11-12-18(24-14-6-4-2)20-19(17)21(25)15-9-7-8-10-16(15)22(20)26/h7-12,23-24H,3-6,13-14H2,1-2H3",C22H26N2O2,350.1994281
995,AGN-PC-0JSPUI,17367-08-7,DTXSID70338428,549041,AGN-PC-0JSPUI,LPJRIXGJBNDMDD-UHFFFAOYSA-N,"2-[(Octadeca-9,12-dien-1-yl)oxy]ethan-1-ol",CCCCCC=CCC=CCCCCCCCCOCCO,"InChI=1S/C20H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22-20-18-21/h6-7,9-10,21H,2-5,8,11-20H2,1H3",C20H38O2,310.2871805
996,2-Iodoethylbenzene,17376-04-4,DTXSID5025447,28503,2-Iodoethylbenzene,KVTHPKXDLVYNCH-UHFFFAOYSA-N,(2-Iodoethyl)benzene,ICCC1=CC=CC=C1,"InChI=1S/C8H9I/c9-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2",C8H9I,231.9749
997,Dehydroabietic acid,1740-19-8,DTXSID8022163,94391,Dehydroabietic acid,NFWKVWVWBFBAOV-MISYRCLQSA-N,"Abieta-8,11,13-trien-18-oic acid",[H][C@@]12CCC3=C(C=CC(=C3)C(C)C)[C@@]1(C)CCC[C@@]2(C)C(O)=O,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",C20H28O2,300.2089301
998,"2(1h)-naphthalenone, 4a,5,6,7,8,8a-hexahydro-7.alpha.-isopropyl-4a.beta.,8a.beta.-dimethyl-",17408-66-1,DTXSID30880711,549685,"2(1h)-naphthalenone, 4a,5,6,7,8,8a-hexahydro-7.alpha.-isopropyl-4a.beta.,8a.beta.-dimethyl-",ZAASYBLGJDURHX-UHFFFAOYSA-N,"4a,8a-Dimethyl-7-(propan-2-yl)-4a,5,6,7,8,8a-hexahydronaphthalen-2(1H)-one",CC(C)C1CCC2(C)C=CC(=O)CC2(C)C1,"InChI=1S/C15H24O/c1-11(2)12-5-7-14(3)8-6-13(16)10-15(14,4)9-12/h6,8,11-12H,5,7,9-10H2,1-4H3",C15H24O,220.1827154
999,"Pentane, 1-(methylthio)-",1741-83-9,DTXSID00169762,15620,"Pentane, 1-(methylthio)-",FOJGPFUFFHWGFQ-UHFFFAOYSA-N,1-(Methylsulfanyl)pentane,CCCCCSC,"InChI=1S/C6H14S/c1-3-4-5-6-7-2/h3-6H2,1-2H3",C6H14S,118.0816216
1000,C.I. Disperse Red 60,17418-58-5,DTXSID2025210,28531,C.I. Disperse Red 60,MHXFWEJMQVIWDH-UHFFFAOYSA-N,"1-Amino-4-hydroxy-2-phenoxyanthracene-9,10-dione",NC1=C2C(=O)C3=C(C=CC=C3)C(=O)C2=C(O)C=C1OC1=CC=CC=C1,"InChI=1S/C20H13NO4/c21-18-15(25-11-6-2-1-3-7-11)10-14(22)16-17(18)20(24)13-9-5-4-8-12(13)19(16)23/h1-10,22H,21H2",C20H13NO4,331.0844579
1001,"Phosphorin, 2,4,6-tris(1,1-dimethylethyl)-",17420-29-0,DTXSID90169791,140227,"Phosphorin, 2,4,6-tris(1,1-dimethylethyl)-",GHJQOVICJOEYAD-UHFFFAOYSA-N,"2,4,6-Tri-tert-butylphosphinine",CC(C)(C)C1=CC(=PC(=C1)C(C)(C)C)C(C)(C)C,"InChI=1S/C17H29P/c1-15(2,3)12-10-13(16(4,5)6)18-14(11-12)17(7,8)9/h10-11H,1-9H3",C17H29P,264.2006879
1002,4-Hydroxy-4-methylcyclohexanone,17429-02-6,DTXSID40169807,28539,4-Hydroxy-4-methylcyclohexanone,MACNVPBGMHPCML-UHFFFAOYSA-N,4-Hydroxy-4-methylcyclohexan-1-one,CC1(O)CCC(=O)CC1,"InChI=1S/C7H12O2/c1-7(9)4-2-6(8)3-5-7/h9H,2-5H2,1H3",C7H12O2,128.0837296
1003,1-Phenyl-3-pentene,1745-16-0,DTXSID20870782,519421,1-Phenyl-3-pentene,GLXIHKLBZUKOLW-UHFFFAOYSA-N,(Pent-3-en-1-yl)benzene,CC=CCCC1=CC=CC=C1,"InChI=1S/C11H14/c1-2-3-5-8-11-9-6-4-7-10-11/h2-4,6-7,9-10H,5,8H2,1H3",C11H14,146.1095505
1004,"2,3,5,6-Tetrabromophenol (ACI)",1745-99-9,,13399556,"2,3,5,6-Tetrabromophenol (ACI)",JZLBSZQDKQGACE-UHFFFAOYSA-N,"2,3,5,6-tetrabromophenol",BrC=1C=C(Br)C(Br)=C(O)C1Br,"InChI=1S/C6H2Br4O/c7-2-1-3(8)5(10)6(11)4(2)9/h1,11H",C6H2Br4O,405.684
1005,5-Methyldodecane,17453-93-9,DTXSID40334013,519423,5-Methyldodecane,NVINYZLICSJRSI-UHFFFAOYSA-N,5-Methyldodecane,CCCCCCCC(C)CCCC,"InChI=1S/C13H28/c1-4-6-8-9-10-12-13(3)11-7-5-2/h13H,4-12H2,1-3H3",C13H28,184.2191009
1006,18-Crown-6,17455-13-9,DTXSID7058626,28557,18-Crown-6,XEZNGIUYQVAUSS-UHFFFAOYSA-N,"1,4,7,10,13,16-Hexaoxacyclooctadecane",C1COCCOCCOCCOCCOCCO1,InChI=1S/C12H24O6/c1-2-14-5-6-16-9-10-18-12-11-17-8-7-15-4-3-13-1/h1-12H2,C12H24O6,264.1572885
1007,Dicyclohexyl 21-crown-7,17455-21-9,DTXSID70169850,155593,Dicyclohexyl 21-crown-7,IOWILYDIQORSRC-UHFFFAOYSA-N,"2,2-Dicyclohexyl-1,4,7,10,13,16,19-heptaoxacyclohenicosane",C1CCC(CC1)C1(COCCOCCOCCOCCOCCOCCO1)C1CCCCC1,"InChI=1S/C26H48O7/c1-3-7-24(8-4-1)26(25-9-5-2-6-10-25)23-32-20-19-30-16-15-28-12-11-27-13-14-29-17-18-31-21-22-33-26/h24-25H,1-23H2",C26H48O7,472.3400039
1008,"2,3,7,8-Tetrachlorodibenzo-p-dioxin",1746-01-6,DTXSID2021315,15625,"2,3,7,8-Tetrachlorodibenzo-1,4-dioxin",HGUFODBRKLSHSI-UHFFFAOYSA-N,"2,3,7,8-Tetrachlorooxanthrene",ClC1=C(Cl)C=C2OC3=CC(Cl)=C(Cl)C=C3OC2=C1,InChI=1S/C12H4Cl4O2/c13-5-1-9-10(2-6(5)14)18-12-4-8(16)7(15)3-11(12)17-9/h1-4H,C12H4Cl4O2,319.8965402
1009,"3,3a,8,8a-Tetrahydro-1,2,3,3,8,8-hexamethylcyclopent[a]indene (ACI)",17486-05-4,,,"3,3a,8,8a-Tetrahydro-1,2,3,3,8,8-hexamethylcyclopent[a]indene (ACI)",CQFRBUDXBYHSMV-UHFFFAOYSA-N,,C=1C=CC2=C(C1)C3C(C(=C(C)C3(C)C)C)C2(C)C,"InChI=1S/C18H24/c1-11-12(2)17(3,4)16-13-9-7-8-10-14(13)18(5,6)15(11)16/h7-10,15-16H,1-6H3",,
1010,"Naphthalene, decahydro-1,6-dimethyl-",1750-51-2,DTXSID00334019,519434,"Naphthalene, decahydro-1,6-dimethyl-",SXLVBBLVYUOSKX-UHFFFAOYSA-N,"1,6-Dimethyldecahydronaphthalene",CC1CCC2C(C)CCCC2C1,"InChI=1S/C12H22/c1-9-6-7-12-10(2)4-3-5-11(12)8-9/h9-12H,3-8H2,1-2H3",C12H22,166.1721507
1011,"4,7-Methano-1H-inden-6-ol, 3a,4,5,6,7,7a-hexahydro-, propanoate",17511-60-3,DTXSID8036312,86579,"4,7-Methano-1H-inden-6-ol, 3a,4,5,6,7,7a-hexahydro-, propanoate",BLBJUGKATXCWET-UHFFFAOYSA-N,"3a,4,5,6,7,7a-Hexahydro-1H-4,7-methanoinden-6-yl propanoate",CCC(=O)OC1CC2CC1C1CC=CC21,"InChI=1S/C13H18O2/c1-2-13(14)15-12-7-8-6-11(12)10-5-3-4-9(8)10/h3-4,8-12H,2,5-7H2,1H3",C13H18O2,206.1306798
1012,NSC338062,17538-63-5,DTXSID30330948,433775,NSC338062,PFWJQQCRPMDSPH-UHFFFAOYSA-N,"1,4,5,8-Tetramethylanthracene-9,10-dione",CC1=C2C(=O)C3=C(C)C=CC(C)=C3C(=O)C2=C(C)C=C1,"InChI=1S/C18H16O2/c1-9-5-6-10(2)14-13(9)17(19)15-11(3)7-8-12(4)16(15)18(14)20/h5-8H,1-4H3",C18H16O2,264.1150298
1013,"4-(Butan-2-yl)-2,6-di-tert-butylphenol",17540-75-9,DTXSID8029315,86583,"4-(Butan-2-yl)-2,6-di-tert-butylphenol",BFZOTKYPSZSDEV-UHFFFAOYSA-N,"4-(Butan-2-yl)-2,6-di-tert-butylphenol",CCC(C)C1=CC(=C(O)C(=C1)C(C)(C)C)C(C)(C)C,"InChI=1S/C18H30O/c1-9-12(2)13-10-14(17(3,4)5)16(19)15(11-13)18(6,7)8/h10-12,19H,9H2,1-8H3",C18H30O,262.2296656
1014,"Glyceryl 1,2-dilaurate",17598-94-6,DTXSID30880897,33979,"Glyceryl 1,2-dilaurate",OQQOAWVKVDAJOI-UHFFFAOYSA-N,"3-Hydroxypropane-1,2-diyl didodecanoate",CCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCC,"InChI=1S/C27H52O5/c1-3-5-7-9-11-13-15-17-19-21-26(29)31-24-25(23-28)32-27(30)22-20-18-16-14-12-10-8-6-4-2/h25,28H,3-24H2,1-2H3",C27H52O5,456.3814748
1015,3-methyl-2-hexene,17618-77-8,DTXSID50871207,25402,3-methyl-2-hexene,JZMUUSXQSKCZNO-UHFFFAOYSA-N,3-Methylhex-2-ene,CCCC(C)=CC,"InChI=1S/C7H14/c1-4-6-7(3)5-2/h5H,4,6H2,1-3H3",C7H14,98.10955045
1016,Perfluorooctanesulfonic acid,1763-23-1,DTXSID3031864,74483,Perfluorooctanesulfonic acid,YFSUTJLHUFNCNZ-UHFFFAOYSA-N,Heptadecafluorooctane-1-sulfonic acid,OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1S/C8HF17O3S/c9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)29(26,27)28/h(H,26,27,28)",C8HF17O3S,499.9374938
1017,"7-Ethyl-1,3,5-cycloheptatriene",17634-51-4,DTXSID50340064,561243,"7-Ethyl-1,3,5-cycloheptatriene",DKCPRYXLHFWDCQ-UHFFFAOYSA-N,"7-Ethylcyclohepta-1,3,5-triene",CCC1C=CC=CC=C1,"InChI=1S/C9H12/c1-2-9-7-5-3-4-6-8-9/h3-9H,2H2,1H3",C9H12,120.0939004
1018,Behenyl behenate,17671-27-1,DTXSID0066242,87221,Behenyl behenate,NJIMZDGGLTUCPX-UHFFFAOYSA-N,Docosyl docosanoate,CCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C44H88O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-46-44(45)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-43H2,1-2H3",C44H88O2,648.6784321
1019,alpha-Cubebene,17699-14-8,DTXSID3058325,442359,alpha-Cubebene,XUEHVOLRMXNRKQ-KHMAMNHCSA-N,"(3aS,3bR,4S,7R,7aR)-3,7-Dimethyl-4-(propan-2-yl)-3a,3b,4,5,6,7-hexahydro-1H-cyclopenta[1,3]cyclopropa[1,2]benzene",[H][C@]12[C@@H](CC[C@@H](C)[C@]11CC=C(C)[C@]21[H])C(C)C,"InChI=1S/C15H24/c1-9(2)12-6-5-11(4)15-8-7-10(3)13(15)14(12)15/h7,9,11-14H,5-6,8H2,1-4H3/t11-,12+,13-,14-,15+/m1/s1",C15H24,204.1878008
1020,(+)-trans-4-Thujanol,17699-16-0,DTXSID40905045,6326181,(+)-trans-4-Thujanol,KXSDPILWMGFJMM-AEJSXWLSSA-N,"(1R,2R,5S)-2-Methyl-5-(propan-2-yl)bicyclo[3.1.0]hexan-2-ol",[H][C@@]12C[C@@]1(CC[C@@]2(C)O)C(C)C,"InChI=1S/C10H18O/c1-7(2)10-5-4-9(3,11)8(10)6-10/h7-8,11H,4-6H2,1-3H3/t8-,9+,10-/m0/s1",C10H18O,154.1357652
1021,"1,4-Dioxaspiro(4.5)decane",177-10-6,DTXSID20170234,9093,"1,4-Dioxaspiro(4.5)decane",GZGPRZYZKBQPBQ-UHFFFAOYSA-N,"1,4-Dioxaspiro[4.5]decane",C1COC2(CCCCC2)O1,InChI=1S/C8H14O2/c1-2-4-8(5-3-1)9-6-7-10-8/h1-7H2,C8H14O2,142.0993797
1022,?-Methoxy-?-nonylcyclohexaneethanamine (ACI),1770646-90-6,,116771184,?-Methoxy-?-nonylcyclohexaneethanamine (ACI),OOFWKTTWIZRBSF-UHFFFAOYSA-N,1-cyclohexyl-1-methoxyundecan-2-amine,O(C)C(C(N)CCCCCCCCC)C1CCCCC1,"InChI=1S/C18H37NO/c1-3-4-5-6-7-8-12-15-17(19)18(20-2)16-13-10-9-11-14-16/h16-18H,3-15,19H2,1-2H3",C18H37NO,283.288
1023,"9,9-Dimethyl-3-(1-methylethyl)-2-(2-methylpropyl)-1-oxa-4-azaspiro[5.5]undecane (ACI)",1770977-66-6,,114868499,"9,9-Dimethyl-3-(1-methylethyl)-2-(2-methylpropyl)-1-oxa-4-azaspiro[5.5]undecane (ACI)",UDNTXEFTESSQSL-UHFFFAOYSA-N,"9,9-dimethyl-2-(2-methylpropyl)-3-propan-2-yl-1-oxa-4-azaspiro[5.5]undecane",O1C(CC(C)C)C(NCC12CCC(C)(C)CC2)C(C)C,"InChI=1S/C18H35NO/c1-13(2)11-15-16(14(3)4)19-12-18(20-15)9-7-17(5,6)8-10-18/h13-16,19H,7-12H2,1-6H3",C18H35NO,281.272
1024,"1,2,3,4-Tetrahydro-9,10-dimethoxy-1,4-ethanoanthracene (ACI)",177205-54-8,,622707,"1,2,3,4-Tetrahydro-9,10-dimethoxy-1,4-ethanoanthracene (ACI)",PDLYCNRWIOUQSB-UHFFFAOYSA-N,"3,10-dimethoxytetracyclo[10.2.2.02,11.04,9]hexadeca-2,4,6,8,10-pentaene",O(C=1C=2C=CC=CC2C(OC)=C3C1C4CCC3CC4)C,"InChI=1S/C18H20O2/c1-19-17-13-5-3-4-6-14(13)18(20-2)16-12-9-7-11(8-10-12)15(16)17/h3-6,11-12H,7-10H2,1-2H3",C18H20O2,268.146
1025,13-Eicosenoic acid,17735-94-3,DTXSID80402624,5312518,13-Eicosenoic acid,URXZXNYJPAJJOQ-FPLPWBNLSA-N,(13Z)-Icos-13-enoic acid,CCCCCC\C=C/CCCCCCCCCCCC(O)=O,"InChI=1S/C20H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h7-8H,2-6,9-19H2,1H3,(H,21,22)/b8-7-",C20H38O2,310.2871805
1026,?-(2-Ethylhexyl)-N-(2-methoxyethyl)cyclopentaneethanamine (ACI),1775190-69-6,,115926913,?-(2-Ethylhexyl)-N-(2-methoxyethyl)cyclopentaneethanamine (ACI),JHEWZWINMZSPCN-UHFFFAOYSA-N,2-cyclopentyl-4-ethyl-N-(2-methoxyethyl)octan-1-amine,O(C)CCNCC(CC(CC)CCCC)C1CCCC1,"InChI=1S/C18H37NO/c1-4-6-9-16(5-2)14-18(15-19-12-13-20-3)17-10-7-8-11-17/h16-19H,4-15H2,1-3H3",C18H37NO,283.288
1027,4-(Diethylamino)salicylaldehyde,17754-90-4,DTXSID5022271,87293,4-(Diethylamino)salicylaldehyde,XFVZSRRZZNLWBW-UHFFFAOYSA-N,4-(Diethylamino)-2-hydroxybenzaldehyde,CCN(CC)C1=CC=C(C=O)C(O)=C1,"InChI=1S/C11H15NO2/c1-3-12(4-2)10-6-5-9(8-13)11(14)7-10/h5-8,14H,3-4H2,1-2H3",C11H15NO2,193.1102787
1028,1-(Hydroxymethyl)-2-[(1-oxooctyl)oxy]ethyl decanoate,177717-46-3,DTXSID10873449,19026760,1-(Hydroxymethyl)-2-[(1-oxooctyl)oxy]ethyl decanoate,YOYOQXRPUDEPAK-UHFFFAOYSA-N,1-Hydroxy-3-(octanoyloxy)propan-2-yl decanoate,CCCCCCCCCC(=O)OC(CO)COC(=O)CCCCCCC,"InChI=1S/C21H40O5/c1-3-5-7-9-10-12-14-16-21(24)26-19(17-22)18-25-20(23)15-13-11-8-6-4-2/h19,22H,3-18H2,1-2H3",C21H40O5,372.2875744
1029,"Methyl (9Z,12Z,15R)-15-hydroxy-9,12-octadecadienoate (ACI)",177746-99-5,,101995250,"Methyl (9Z,12Z,15R)-15-hydroxy-9,12-octadecadienoate (ACI)",NKSSFRCNBLNXBF-YEVIIJCLSA-N,"methyl (9Z,12Z,15R)-15-hydroxyoctadeca-9,12-dienoate",O=C(OC)CCCCCCCC=CCC=CCC(O)CCC,"InChI=1S/C19H34O3/c1-3-15-18(20)16-13-11-9-7-5-4-6-8-10-12-14-17-19(21)22-2/h5,7,11,13,18,20H,3-4,6,8-10,12,14-17H2,1-2H3",C19H34O3,310.251
1030,Tetraethylene glycol diacrylate,17831-71-9,DTXSID2026107,28803,Tetraethylene glycol diacrylate,HCLJOFJIQIJXHS-UHFFFAOYSA-N,"({Oxybis[(ethane-2,1-diyl)]oxy}ethane-2,1-diyl) diprop-2-enoate",C=CC(=O)OCCOCCOCCOCCOC(=O)C=C,"InChI=1S/C14H22O7/c1-3-13(15)20-11-9-18-7-5-17-6-8-19-10-12-21-14(16)4-2/h3-4H,1-2,5-12H2",C14H22O7,302.136553
1031,"1,4,7,18,21-Pentaoxa-11,14,25,28-tetraazacyclohentriacontane (9CI, ACI)",178472-45-2,,,"1,4,7,18,21-Pentaoxa-11,14,25,28-tetraazacyclohentriacontane (9CI, ACI)",ZMYJAISTJSQAGD-UHFFFAOYSA-N,,O1CCOCCCNCCNCCCOCCOCCCNCCNCCCOCC1,"InChI=1S/C22H48N4O5/c1-5-23-9-11-25-7-3-15-29-19-21-31-22-20-30-16-4-8-26-12-10-24-6-2-14-28-18-17-27-13-1/h23-26H,1-22H2",,
1032,Butyl isobutyl phthalate,17851-53-5,DTXSID80170497,28813,Butyl isobutyl phthalate,UVIVWIFUPKGWGF-UHFFFAOYSA-N,"Butyl 2-methylpropyl benzene-1,2-dicarboxylate",CCCCOC(=O)C1=CC=CC=C1C(=O)OCC(C)C,"InChI=1S/C16H22O4/c1-4-5-10-19-15(17)13-8-6-7-9-14(13)16(18)20-11-12(2)3/h6-9,12H,4-5,10-11H2,1-3H3",C16H22O4,278.1518092
1033,Nerol oxide,1786-08-9,DTXSID6051805,61275,Nerol oxide,FRISMOQHTLZZRP-UHFFFAOYSA-N,"4-Methyl-2-(2-methylprop-1-en-1-yl)-3,6-dihydro-2H-pyran",CC(C)=CC1CC(C)=CCO1,"InChI=1S/C10H16O/c1-8(2)6-10-7-9(3)4-5-11-10/h4,6,10H,5,7H2,1-3H3",C10H16O,152.1201151
1034,Cyclohexyl(methyl)dimethoxysilane,17865-32-6,DTXSID40864805,569301,Cyclohexyl(methyl)dimethoxysilane,SJJCABYOVIHNPZ-UHFFFAOYSA-N,Cyclohexyl(dimethoxy)methylsilane,CO[Si](C)(OC)C1CCCCC1,"InChI=1S/C9H20O2Si/c1-10-12(3,11-2)9-7-5-4-6-8-9/h9H,4-8H2,1-3H3",C9H20O2Si,188.1232564
1035,(+)-Juvabione,17904-27-7,DTXSID30858798,442381,(+)-Juvabione,IIWNDLDEVPJIBT-OLZOCXBDSA-N,Methyl (4R)-4-[(2R)-6-methyl-4-oxoheptan-2-yl]cyclohex-1-ene-1-carboxylate,COC(=O)C1=CC[C@@H](CC1)[C@H](C)CC(=O)CC(C)C,"InChI=1S/C16H26O3/c1-11(2)9-15(17)10-12(3)13-5-7-14(8-6-13)16(18)19-4/h7,11-13H,5-6,8-10H2,1-4H3/t12-,13+/m1/s1",C16H26O3,266.1881947
1036,Methyltris(trimethylsiloxy)silane,17928-28-8,DTXSID9025669,28838,Methyltris(trimethylsiloxy)silane,RGMZNZABJYWAEC-UHFFFAOYSA-N,"1,1,1,3,5,5,5-Heptamethyl-3-[(trimethylsilyl)oxy]trisiloxane",C[Si](C)(C)O[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C,"InChI=1S/C10H30O3Si4/c1-14(2,3)11-17(10,12-15(4,5)6)13-16(7,8)9/h1-10H3",C10H30O3Si4,310.127201
1037,"Cyclohexane, octyl-",1795-15-9,DTXSID3061972,15712,"Cyclohexane, octyl-",FBXWCEKQCVOOLT-UHFFFAOYSA-N,Octylcyclohexane,CCCCCCCCC1CCCCC1,"InChI=1S/C14H28/c1-2-3-4-5-6-8-11-14-12-9-7-10-13-14/h14H,2-13H2,1H3",C14H28,196.2191009
1038,"Phosphoric acid, bis[2,4-bis(1,1-dimethylethyl)phenyl] 3,5-bis(1,1-dimethylethyl)phenyl ester (ZCI)",1797132-88-7,,165429847,"Phosphoric acid, bis[2,4-bis(1,1-dimethylethyl)phenyl] 3,5-bis(1,1-dimethylethyl)phenyl ester (ZCI)",MSBGHYAHGAEMQC-UHFFFAOYSA-N,"bis(2,4-ditert-butylphenyl) (3,5-ditert-butylphenyl) phosphate",O=P(OC=1C=C(C=C(C1)C(C)(C)C)C(C)(C)C)(OC2=CC=C(C=C2C(C)(C)C)C(C)(C)C)OC3=CC=C(C=C3C(C)(C)C)C(C)(C)C,"InChI=1S/C42H63O4P/c1-37(2,3)28-19-21-35(33(26-28)41(13,14)15)45-47(43,44-32-24-30(39(7,8)9)23-31(25-32)40(10,11)12)46-36-22-20-29(38(4,5)6)27-34(36)42(16,17)18/h19-27H,1-18H3",C42H63O4P,662.446
1039,"Dioctadecyl 2,3-dihydroxybutanedioate",17977-66-1,DTXSID90939259,87387,"Dioctadecyl 2,3-dihydroxybutanedioate",RYGCHSSZXHQCEJ-XPSQVAKYSA-N,"Dioctadecyl (2R,3R)-2,3-dihydroxybutanedioate",[H][C@](O)(C(=O)OCCCCCCCCCCCCCCCCCC)[C@@]([H])(O)C(=O)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C40H78O6/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-45-39(43)37(41)38(42)40(44)46-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37-38,41-42H,3-36H2,1-2H3/t37-,38-/m1/s1",C40H78O6,654.5798402
1040,2-Chloro-9-(2-phenylethyl)-9H-fluorene (ACI),1801701-14-3,,122400462,2-Chloro-9-(2-phenylethyl)-9H-fluorene (ACI),PPWMONJGEUYISY-UHFFFAOYSA-N,2-chloro-9-(2-phenylethyl)-9H-fluorene,ClC1=CC=C2C=3C=CC=CC3C(C2=C1)CCC=4C=CC=CC4,"InChI=1S/C21H17Cl/c22-16-11-13-20-18-9-5-4-8-17(18)19(21(20)14-16)12-10-15-6-2-1-3-7-15/h1-9,11,13-14,19H,10,12H2",C21H17Cl,304.102
1041,"1,5,9-Trioxacyclododecane-2,6,10-tricarboxylic acid, 4,8,12-trioxo-, tris(phenylmethyl) ester, (2S,6S,10S)- (9CI)",180211-13-6,,403125,"1,5,9-Trioxacyclododecane-2,6,10-tricarboxylic acid, 4,8,12-trioxo-, tris(phenylmethyl) ester, (2S,6S,10S)- (9CI)",ORLBLXSWXGPMON-QKDODKLFSA-N,"tribenzyl (2S,6S,10S)-4,8,12-trioxo-1,5,9-trioxacyclododecane-2,6,10-tricarboxylate",O=C1OC(C(=O)OCC=2C=CC=CC2)CC(=O)OC(C(=O)OCC=3C=CC=CC3)CC(=O)OC(C(=O)OCC=4C=CC=CC4)C1,"InChI=1S/C33H30O12/c34-28-16-25(31(37)40-19-22-10-4-1-5-11-22)43-29(35)17-26(32(38)41-20-23-12-6-2-7-13-23)45-30(36)18-27(44-28)33(39)42-21-24-14-8-3-9-15-24/h1-15,25-27H,16-21H2",C33H30O12,618.174
1042,"9H-Carbazole, 1,4-dimethyl-",18028-55-2,DTXSID40170938,96998,"9H-Carbazole, 1,4-dimethyl-",APYQRKDHRDGCBK-UHFFFAOYSA-N,"1,4-Dimethyl-9H-carbazole",CC1=C2NC3=CC=CC=C3C2=C(C)C=C1,"InChI=1S/C14H13N/c1-9-7-8-10(2)14-13(9)11-5-3-4-6-12(11)15-14/h3-8,15H,1-2H3",C14H13N,195.1047994
1043,4-Octylphenol,1806-26-4,DTXSID9022312,15730,4-Octylphenol,NTDQQZYCCIDJRK-UHFFFAOYSA-N,4-Octylphenol,CCCCCCCCC1=CC=C(O)C=C1,"InChI=1S/C14H22O/c1-2-3-4-5-6-7-8-13-9-11-14(15)12-10-13/h9-12,15H,2-8H2,1H3",C14H22O,206.1670653
1044,2-Methyl-1-tridecene,18094-01-4,DTXSID80171040,140334,2-Methyl-1-tridecene,VNBHQOHLCULRDN-UHFFFAOYSA-N,2-Methyltridec-1-ene,CCCCCCCCCCCC(C)=C,"InChI=1S/C14H28/c1-4-5-6-7-8-9-10-11-12-13-14(2)3/h2,4-13H2,1,3H3",C14H28,196.2191009
1045,(-)-beta-Pinene,18172-67-3,DTXSID1041184,440967,(-)-beta-Pinene,WTARULDDTDQWMU-IUCAKERBSA-N,"(1S,5S)-6,6-Dimethyl-2-methylidenebicyclo[3.1.1]heptane",CC1(C)[C@@H]2C[C@H]1C(=C)CC2,"InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h8-9H,1,4-6H2,2-3H3/t8-,9-/m0/s1",C10H16,136.1252005
1046,Octyl phenyl ether,1818-07-1,DTXSID1061994,74558,Octyl phenyl ether,ZPIRTVJRHUMMOI-UHFFFAOYSA-N,(Octyloxy)benzene,CCCCCCCCOC1=CC=CC=C1,"InChI=1S/C14H22O/c1-2-3-4-5-6-10-13-15-14-11-8-7-9-12-14/h7-9,11-12H,2-6,10,13H2,1H3",C14H22O,206.1670653
1047,(13Z)-N-(2-Hydroxyethyl)-13-docosenamide,18190-74-4,DTXSID601276553,6436482,(13Z)-N-(2-Hydroxyethyl)-13-docosenamide,UGYSMGXRWBTMRZ-KTKRTIGZSA-N,(13Z)-N-(2-Hydroxyethyl)docos-13-enamide,CCCCCCCC\C=C/CCCCCCCCCCCC(=O)NCCO,"InChI=1S/C24H47NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(27)25-22-23-26/h9-10,26H,2-8,11-23H2,1H3,(H,25,27)/b10-9-",C24H47NO2,381.3606798
1048,Nonylcycloheptane (ACI),18208-64-5,,21262075,Nonylcycloheptane (ACI),LOFXUOJCICMCCS-UHFFFAOYSA-N,nonylcycloheptane,CCCCCCCCCC1CCCCCC1,"InChI=1S/C16H32/c1-2-3-4-5-6-7-10-13-16-14-11-8-9-12-15-16/h16H,2-15H2,1H3",C16H32,224.25
1049,"Ethyl 3,5-dihydroxy-2-(6-hydroxy-1-oxohexyl)benzeneacetate (ACI)",1820898-11-0,,139588202,"Ethyl 3,5-dihydroxy-2-(6-hydroxy-1-oxohexyl)benzeneacetate (ACI)",IAXJSUZCRGYJFV-UHFFFAOYSA-N,"ethyl 2-[3,5-dihydroxy-2-(6-hydroxyhexanoyl)phenyl]acetate",O=C(OCC)CC=1C=C(O)C=C(O)C1C(=O)CCCCCO,"InChI=1S/C16H22O6/c1-2-22-15(21)9-11-8-12(18)10-14(20)16(11)13(19)6-4-3-5-7-17/h8,10,17-18,20H,2-7,9H2,1H3",C16H22O6,310.142
1050,2-Ethynyl-5-[2-(trimethylsilyl)ethynyl]thiophene (ACI),182323-29-1,,605170,2-Ethynyl-5-[2-(trimethylsilyl)ethynyl]thiophene (ACI),NUDMDENDWDGLAH-UHFFFAOYSA-N,2-(5-ethynylthiophen-2-yl)ethynyl-trimethylsilane,C#CC=1SC(C#C[Si](C)(C)C)=CC1,"InChI=1S/C11H12SSi/c1-5-10-6-7-11(12-10)8-9-13(2,3)4/h1,6-7H,2-4H3",C11H12SSi,204.043
1051,"2,2',3,4,4'-Pentabromodiphenyl ether",182346-21-0,DTXSID4052685,177368,"2,2',3,4,4'-Pentabromodiphenyl ether",DMLQSUZPTTUUDP-UHFFFAOYSA-N,"1,2,3-Tribromo-4-(2,4-dibromophenoxy)benzene",BrC1=CC=C(OC2=C(Br)C(Br)=C(Br)C=C2)C(Br)=C1,InChI=1S/C12H5Br5O/c13-6-1-3-9(8(15)5-6)18-10-4-2-7(14)11(16)12(10)17/h1-5H,C12H5Br5O,559.62573
1052,"6,8-Dihydroxy-1,3(2H,4H)-naphthalenedione (ACI)",1824612-07-8,,,"6,8-Dihydroxy-1,3(2H,4H)-naphthalenedione (ACI)",MYYNZCJFUUAOOP-UHFFFAOYSA-N,,O=C1C=2C(O)=CC(O)=CC2CC(=O)C1,"InChI=1S/C10H8O4/c11-6-1-5-2-7(12)4-9(14)10(5)8(13)3-6/h1,3,11,13H,2,4H2",,
1053,3-Hexen-1-yl benzeneacetate (ACI),1824720-88-8,,65287,3-Hexen-1-yl benzeneacetate (ACI),FJKFIIYSBXHBCT-UHFFFAOYSA-N,hex-3-enyl 2-phenylacetate,O=C(OCCC=CCC)CC=1C=CC=CC1,"InChI=1S/C14H18O2/c1-2-3-4-8-11-16-14(15)12-13-9-6-5-7-10-13/h3-7,9-10H,2,8,11-12H2,1H3",C14H18O2,218.131
1054,"Bis(4-methylcyclohexyl) benzene-1,2-dicarboxylate",18249-11-1,DTXSID30609388,20686473,"Bis(4-methylcyclohexyl) benzene-1,2-dicarboxylate",JKJWMYHRXOJYJS-UHFFFAOYSA-N,"Bis(4-methylcyclohexyl) benzene-1,2-dicarboxylate",CC1CCC(CC1)OC(=O)C1=CC=CC=C1C(=O)OC1CCC(C)CC1,"InChI=1S/C22H30O4/c1-15-7-11-17(12-8-15)25-21(23)19-5-3-4-6-20(19)22(24)26-18-13-9-16(2)10-14-18/h3-6,15-18H,7-14H2,1-2H3",C22H30O4,358.2144094
1055,Pentachloroanisole,1825-21-4,DTXSID2021103,15767,Pentachloroanisole,BBABSCYTNHOKOG-UHFFFAOYSA-N,"1,2,3,4,5-Pentachloro-6-methoxybenzene",COC1=C(Cl)C(Cl)=C(Cl)C(Cl)=C1Cl,InChI=1S/C7H3Cl5O/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h1H3,C7H3Cl5O,277.8626532
1056,"3-tert-Butylfuran-2,5-dione",18261-07-9,,549184,"3-tert-Butylfuran-2,5-dione",WLUSGOBAJPTJAP-UHFFFAOYSA-N,"3-tert-butylfuran-2,5-dione",O=C1OC(=O)C(=C1)C(C)(C)C,"InChI=1S/C8H10O3/c1-8(2,3)5-4-6(9)11-7(5)10/h4H,1-3H3",C8H10O3,154.063
1057,"2,2',3,4,4',5'-Hexabromodiphenyl Ether",182677-30-1,DTXSID60872265,15254861,"2,2',3,4,4',5'-Hexabromodiphenyl Ether",IZFQCEZFGCMHOM-UHFFFAOYSA-N,"1,2,3-Tribromo-4-(2,4,5-tribromophenoxy)benzene",BrC1=CC=C(OC2=CC(Br)=C(Br)C=C2Br)C(Br)=C1Br,InChI=1S/C12H4Br6O/c13-5-1-2-9(12(18)11(5)17)19-10-4-7(15)6(14)3-8(10)16/h1-4H,C12H4Br6O,637.536243
1058,Pentadecanenitrile,18300-91-9,DTXSID50171375,87568,Pentadecanenitrile,KRKQHNVYOWTEQO-UHFFFAOYSA-N,Pentadecanenitrile,CCCCCCCCCCCCCCC#N,"InChI=1S/C15H29N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h2-14H2,1H3",C15H29N,223.2299999
1059,"2,2'-(Tridecylazanediyl)di(ethan-1-ol)",18312-57-7,DTXSID30867507,109646,"2,2'-(Tridecylazanediyl)di(ethan-1-ol)",PGNNMVAZUOZRSM-UHFFFAOYSA-N,"2,2'-(Tridecylazanediyl)di(ethan-1-ol)",CCCCCCCCCCCCCN(CCO)CCO,"InChI=1S/C17H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-18(14-16-19)15-17-20/h19-20H,2-17H2,1H3",C17H37NO2,287.2824294
1060,L-Arginyl-L-arginyl-L-leucyl-L-prolyl-L-isoleucyl-L-phenylalanyl-L-seryl-L-arginyl-L-leucine (ACI),183203-42-1,,657022,L-Arginyl-L-arginyl-L-leucyl-L-prolyl-L-isoleucyl-L-phenylalanyl-L-seryl-L-arginyl-L-leucine (ACI),LUFWVVXBLAZFTK-GJGKTWNJSA-N,"(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-4-methylpentanoic acid",O=C(O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C(N)CCCNC(=N)N)CCCNC(=N)N)CC(C)C)CCC1)C(C)CC)CC=2C=CC=CC2)CO)CCCNC(=N)N)CC(C)C,"InChI=1S/C53H92N18O11/c1-7-31(6)41(70-47(78)40-20-14-24-71(40)49(80)37(25-29(2)3)67-43(74)34(18-12-22-62-52(57)58)64-42(73)33(54)17-11-21-61-51(55)56)48(79)66-36(27-32-15-9-8-10-16-32)45(76)69-39(28-72)46(77)65-35(19-13-23-63-53(59)60)44(75)68-38(50(81)82)26-30(4)5/h8-10,15-16,29-31,33-41,72H,7,11-14,17-28,54H2,1-6H3,(H,64,73)(H,65,77)(H,66,79)(H,67,74)(H,68,75)(H,69,76)(H,70,78)(H,81,82)(H4,55,56,61)(H4,57,58,62)(H4,59,60,63)",C53H92N18O11,1156.72
1061,"heptadecane, 2,6,10,14-tetramethyl-",18344-37-1,DTXSID80880746,29036,"heptadecane, 2,6,10,14-tetramethyl-",CIGFWENQAXVDOM-UHFFFAOYSA-N,"2,6,10,14-Tetramethylheptadecane",CCCC(C)CCCC(C)CCCC(C)CCCC(C)C,"InChI=1S/C21H44/c1-7-11-19(4)14-9-15-21(6)17-10-16-20(5)13-8-12-18(2)3/h18-21H,7-17H2,1-6H3",C21H44,296.3443014
1062,"bicyclo[3.1.1]heptan-3-one, 2,6,6-trimethyl-",18358-53-7,DTXSID60862166,11038,"bicyclo[3.1.1]heptan-3-one, 2,6,6-trimethyl-",MQPHVIPKLRXGDJ-UHFFFAOYSA-N,"2,6,6-Trimethylbicyclo[3.1.1]heptan-3-one",CC1C2CC(CC1=O)C2(C)C,"InChI=1S/C10H16O/c1-6-8-4-7(5-9(6)11)10(8,2)3/h6-8H,4-5H2,1-3H3",C10H16O,152.1201151
1063,"2-Ethylhexyl 2,3,4,5-tetrabromobenzoate",183658-27-7,DTXSID9052686,71316600,"2-Ethylhexyl 2,3,4,5-tetrabromobenzoate",HVDXCGSGEQKWGB-UHFFFAOYSA-N,"2-Ethylhexyl 2,3,4,5-tetrabromobenzoate",CCCCC(CC)COC(=O)C1=C(Br)C(Br)=C(Br)C(Br)=C1,"InChI=1S/C15H18Br4O2/c1-3-5-6-9(4-2)8-21-15(20)10-7-11(16)13(18)14(19)12(10)17/h7,9H,3-6,8H2,1-2H3",C15H18Br4O2,545.804032
1064,"Hexadecanoic acid, (2,2-dimethyl-1,3-dioxolan-4-yl)methyl ester",18418-21-8,DTXSID90337271,541241,"Hexadecanoic acid, (2,2-dimethyl-1,3-dioxolan-4-yl)methyl ester",FUNFISHGHMLDHE-UHFFFAOYSA-N,"(2,2-Dimethyl-1,3-dioxolan-4-yl)methyl hexadecanoate",CCCCCCCCCCCCCCCC(=O)OCC1COC(C)(C)O1,"InChI=1S/C22H42O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(23)24-18-20-19-25-22(2,3)26-20/h20H,4-19H2,1-3H3",C22H42O4,370.3083098
1065,Octabenzone,1843-05-6,DTXSID9027441,15797,Octabenzone,QUAMTGJKVDWJEQ-UHFFFAOYSA-N,[2-Hydroxy-4-(octyloxy)phenyl](phenyl)methanone,CCCCCCCCOC1=CC(O)=C(C=C1)C(=O)C1=CC=CC=C1,"InChI=1S/C21H26O3/c1-2-3-4-5-6-10-15-24-18-13-14-19(20(22)16-18)21(23)17-11-8-7-9-12-17/h7-9,11-14,16,22H,2-6,10,15H2,1H3",C21H26O3,326.1881947
1066,3-methyl-tetradecane,18435-22-8,DTXSID10897342,86735,3-methyl-tetradecane,HXUYUZCPGPKNGS-UHFFFAOYSA-N,3-Methyltetradecane,CCCCCCCCCCCC(C)CC,"InChI=1S/C15H32/c1-4-6-7-8-9-10-11-12-13-14-15(3)5-2/h15H,4-14H2,1-3H3",C15H32,212.250401
1067,1-Nonadecene,18435-45-5,DTXSID0066377,29075,1-Nonadecene,NHLUYCJZUXOUBX-UHFFFAOYSA-N,Nonadec-1-ene,CCCCCCCCCCCCCCCCCC=C,"InChI=1S/C19H38/c1-3-5-7-9-11-13-15-17-19-18-16-14-12-10-8-6-4-2/h3H,1,4-19H2,2H3",C19H38,266.2973512
1068,cis-Verbenol,1845-30-3,DTXSID0058273,,cis-Verbenol,WONIGEXYPVIKFS-XOJOHMJZNA-N,"(1R,2R,5R)-4,6,6-Trimethylbicyclo[3.1.1]hept-3-en-2-ol",CC1=C[C@@H](O)[C@@H]2C[C@H]1C2(C)C,"InChI=1S/C10H16O/c1-6-4-9(11)8-5-7(6)10(8,2)3/h4,7-9,11H,5H2,1-3H3/t7-,8+,9-/m1/s1",C10H16O,152.1201151
1069,"(2S,4R)-(-)-2,4-Dimethylheptan-1-ol",18450-74-3,DTXSID00171582,87651,"(2S,4R)-(-)-2,4-Dimethylheptan-1-ol",HVRFWRROUIDGQO-BDAKNGLRSA-N,"(2S,4R)-2,4-Dimethylheptan-1-ol",CCC[C@@H](C)C[C@H](C)CO,"InChI=1S/C9H20O/c1-4-5-8(2)6-9(3)7-10/h8-10H,4-7H2,1-3H3/t8-,9+/m1/s1",C9H20O,144.1514153
1070,"1,1,5-Trimethyl-6-heptenol",18479-58-8,DTXSID8029317,29096,"1,1,5-Trimethyl-6-heptenol",XSNQECSCDATQEL-UHFFFAOYSA-N,"2,6-Dimethyloct-7-en-2-ol",CC(CCCC(C)(C)O)C=C,"InChI=1S/C10H20O/c1-5-9(2)7-6-8-10(3,4)11/h5,9,11H,1,6-8H2,2-4H3",C10H20O,156.1514153
1071,"3-Cyclohexene-1-ethanol, .beta.,4-dimethyl-",18479-68-0,DTXSID00864841,86753,"3-Cyclohexene-1-ethanol, .beta.,4-dimethyl-",ZTYHGIAOVUPAAH-UHFFFAOYSA-N,2-(4-Methylcyclohex-3-en-1-yl)propan-1-ol,CC(CO)C1CCC(C)=CC1,"InChI=1S/C10H18O/c1-8-3-5-10(6-4-8)9(2)7-11/h3,9-11H,4-7H2,1-2H3",C10H18O,154.1357652
1072,Spiro(2.5)octane,185-65-9,DTXSID90171692,135988,Spiro(2.5)octane,FOEYMRPOKBCNCR-UHFFFAOYSA-N,Spiro[2.5]octane,C1CC11CCCCC1,InChI=1S/C8H14/c1-2-4-8(5-3-1)6-7-8/h1-7H2,C8H14,110.1095505
1073,Undecanedioic acid,1852-04-6,DTXSID0044862,15816,Undecanedioic acid,LWBHHRRTOZQPDM-UHFFFAOYSA-N,Undecanedioic acid,OC(=O)CCCCCCCCCC(O)=O,"InChI=1S/C11H20O4/c12-10(13)8-6-4-2-1-3-5-7-9-11(14)15/h1-9H2,(H,12,13)(H,14,15)",C11H20O4,216.1361591
1074,"Methyl 2-[3-hydroxy-5-(methoxycarbonyl)-2-(phenylmethoxy)phenoxy]-3,4,5-tris(phenylmethoxy)benzoate (ACI)",1853290-43-3,,135031322,"Methyl 2-[3-hydroxy-5-(methoxycarbonyl)-2-(phenylmethoxy)phenoxy]-3,4,5-tris(phenylmethoxy)benzoate (ACI)",PWSRIIIPZNPKIJ-UHFFFAOYSA-N,"methyl 2-(3-hydroxy-5-methoxycarbonyl-2-phenylmethoxyphenoxy)-3,4,5-tris(phenylmethoxy)benzoate",O=C(OC)C1=CC(O)=C(OCC=2C=CC=CC2)C(OC3=C(OCC=4C=CC=CC4)C(OCC=5C=CC=CC5)=C(OCC=6C=CC=CC6)C=C3C(=O)OC)=C1,"InChI=1S/C44H38O10/c1-48-43(46)34-23-36(45)40(51-27-31-17-9-4-10-18-31)38(24-34)54-39-35(44(47)49-2)25-37(50-26-30-15-7-3-8-16-30)41(52-28-32-19-11-5-12-20-32)42(39)53-29-33-21-13-6-14-22-33/h3-25,45H,26-29H2,1-2H3",C44H38O10,726.246
1075,"Silane, dodecyltriethoxy-",18536-91-9,DTXSID4066383,87696,"Silane, dodecyltriethoxy-",YGUFXEJWPRRAEK-UHFFFAOYSA-N,Dodecyl(triethoxy)silane,CCCCCCCCCCCC[Si](OCC)(OCC)OCC,"InChI=1S/C18H40O3Si/c1-5-9-10-11-12-13-14-15-16-17-18-22(19-6-2,20-7-3)21-8-4/h5-18H2,1-4H3",C18H40O3Si,332.2746717
1076,"1,4-Benzenedicarboxylic acid, 1,4-bis[2-[(4-carboxybenzoyl)oxy]ethyl] ester (ACI)",1855-25-0,,145865736,"1,4-Benzenedicarboxylic acid, 1,4-bis[2-[(4-carboxybenzoyl)oxy]ethyl] ester (ACI)",YZHKDCQZRPANFS-UHFFFAOYSA-N,4-[2-[4-[2-(4-carboxybenzoyl)oxyethoxycarbonyl]benzoyl]oxyethoxycarbonyl]benzoic acid,O=C(O)C1=CC=C(C=C1)C(=O)OCCOC(=O)C2=CC=C(C=C2)C(=O)OCCOC(=O)C3=CC=C(C=C3)C(=O)O,"InChI=1S/C28H22O12/c29-23(30)17-1-5-19(6-2-17)25(33)37-13-15-39-27(35)21-9-11-22(12-10-21)28(36)40-16-14-38-26(34)20-7-3-18(4-8-20)24(31)32/h1-12H,13-16H2,(H,29,30)(H,31,32)",C28H22O12,550.111
1077,"3,6,9,12,15,18,21,24,27,30-Decaoxatetracontan-1-ol",18554-67-1,DTXSID20575669,15607542,"3,6,9,12,15,18,21,24,27,30-Decaoxatetracontan-1-ol",DJPHBXSFUOFPSJ-UHFFFAOYSA-N,"3,6,9,12,15,18,21,24,27,30-Decaoxatetracontan-1-ol",CCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO,"InChI=1S/C30H62O11/c1-2-3-4-5-6-7-8-9-11-32-13-15-34-17-19-36-21-23-38-25-27-40-29-30-41-28-26-39-24-22-37-20-18-35-16-14-33-12-10-31/h31H,2-30H2,1H3",C30H62O11,598.4292128
1078,3-[(Diphenoxyphosphinyl)oxy]phenyl phenyl hydrogen phosphate (ACI),1855926-48-5,,87504194,3-[(Diphenoxyphosphinyl)oxy]phenyl phenyl hydrogen phosphate (ACI),YXCNAHOCESLROP-UHFFFAOYSA-N,[3-[hydroxy(phenoxy)phosphoryl]oxyphenyl] diphenyl phosphate,O=P(O)(OC=1C=CC=CC1)OC2=CC=CC(OP(=O)(OC=3C=CC=CC3)OC=4C=CC=CC4)=C2,"InChI=1S/C24H20O8P2/c25-33(26,28-20-11-4-1-5-12-20)29-23-17-10-18-24(19-23)32-34(27,30-21-13-6-2-7-14-21)31-22-15-8-3-9-16-22/h1-19H,(H,25,26)",C24H20O8P2,498.063
1079,"4H-3,1-Benzoxazin-4-one, 2,2'-(1,4-phenylene)bis-",18600-59-4,DTXSID40864845,3098422,"4H-3,1-Benzoxazin-4-one, 2,2'-(1,4-phenylene)bis-",BBITXNWQALLODC-UHFFFAOYSA-N,"2,2'-(1,4-Phenylene)di(4H-3,1-benzoxazin-4-one)",O=C1OC(=NC2=CC=CC=C12)C1=CC=C(C=C1)C1=NC2=CC=CC=C2C(=O)O1,InChI=1S/C22H12N2O4/c25-21-15-5-1-3-7-17(15)23-19(27-21)13-9-11-14(12-10-13)20-24-18-8-4-2-6-16(18)22(26)28-20/h1-12H,C22H12N2O4,368.0797069
1080,"Phenylmethyl 2-deoxy-2-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-6-O-(phenylmethyl)-3-O-(2,3,4,6-tetra-O-benzoyl-?-D-galactopyranosyl)-?-D-glucopyranoside (ACI)",186315-34-4,,11768321,"Phenylmethyl 2-deoxy-2-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-6-O-(phenylmethyl)-3-O-(2,3,4,6-tetra-O-benzoyl-?-D-galactopyranosyl)-?-D-glucopyranoside (ACI)",ONMWSIXAEGBTMP-KXJKOLAXSA-N,"[(2R,3S,4S,5R,6R)-3,4,5-tribenzoyloxy-6-[(2R,3R,4R,5S,6R)-3-(1,3-dioxoisoindol-2-yl)-5-hydroxy-2-phenylmethoxy-6-(phenylmethoxymethyl)oxan-4-yl]oxyoxan-2-yl]methyl benzoate",O=C(OCC1OC(OC2C(O)C(OC(OCC=3C=CC=CC3)C2N4C(=O)C=5C=CC=CC5C4=O)COCC=6C=CC=CC6)C(OC(=O)C=7C=CC=CC7)C(OC(=O)C=8C=CC=CC8)C1OC(=O)C=9C=CC=CC9)C=%10C=CC=CC%10,"InChI=1S/C62H53NO16/c64-50-47(37-71-35-39-21-7-1-8-22-39)74-61(73-36-40-23-9-2-10-24-40)49(63-55(65)45-33-19-20-34-46(45)56(63)66)52(50)79-62-54(78-60(70)44-31-17-6-18-32-44)53(77-59(69)43-29-15-5-16-30-43)51(76-58(68)42-27-13-4-14-28-42)48(75-62)38-72-57(67)41-25-11-3-12-26-41/h1-34,47-54,61-62,64H,35-38H2",C62H53NO16,1067.34
1081,"Oxirane, 2-tridecyl-",18633-25-5,DTXSID80885059,86768,"Oxirane, 2-tridecyl-",QMIBIXKZPBEGTE-UHFFFAOYSA-N,2-Tridecyloxirane,CCCCCCCCCCCCCC1CO1,"InChI=1S/C15H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-14-16-15/h15H,2-14H2,1H3",C15H30O,226.2296656
1082,"Behenic acid, 1,2,3-propanetriol ester",18641-57-1,DTXSID40171900,62726,"Behenic acid, 1,2,3-propanetriol ester",DMBUODUULYCPAK-UHFFFAOYSA-N,"Propane-1,2,3-triyl tridocosanoate",CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C69H134O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h66H,4-65H2,1-3H3",C69H134O6,1059.018042
1083,"2,15-Hexadecanedione",18650-13-0,DTXSID90332468,458096,"2,15-Hexadecanedione",ANOHLAYDIMKILU-UHFFFAOYSA-N,"Hexadecane-2,15-dione",CC(=O)CCCCCCCCCCCCC(C)=O,"InChI=1S/C16H30O2/c1-15(17)13-11-9-7-5-3-4-6-8-10-12-14-16(2)18/h3-14H2,1-2H3",C16H30O2,254.2245802
1084,"Terephthalic acid, diisobutyl ester",18699-48-4,DTXSID60171962,29218,"Terephthalic acid, diisobutyl ester",LQKWPGAPADIOSS-UHFFFAOYSA-N,"Bis(2-methylpropyl) benzene-1,4-dicarboxylate",CC(C)COC(=O)C1=CC=C(C=C1)C(=O)OCC(C)C,"InChI=1S/C16H22O4/c1-11(2)9-19-15(17)13-5-7-14(8-6-13)16(18)20-10-12(3)4/h5-8,11-12H,9-10H2,1-4H3",C16H22O4,278.1518092
1085,"Butyramide, 2-cyano-2-ethyl-",18705-38-9,DTXSID10171977,29227,"Butyramide, 2-cyano-2-ethyl-",BYVLOVMMSJVLMC-UHFFFAOYSA-N,2-Cyano-2-ethylbutanamide,CCC(CC)(C#N)C(N)=O,"InChI=1S/C7H12N2O/c1-3-7(4-2,5-8)6(9)10/h3-4H2,1-2H3,(H2,9,10)",C7H12N2O,140.094963
1086,6-Methylheptan-3-ol,18720-66-6,DTXSID50864851,86783,6-Methylheptan-3-ol,MNBIBGDICHMQFN-UHFFFAOYSA-N,6-Methylheptan-3-ol,CCC(O)CCC(C)C,"InChI=1S/C8H18O/c1-4-8(9)6-5-7(2)3/h7-9H,4-6H2,1-3H3",C8H18O,130.1357652
1087,"Benzyl 2-ethylhexyl benzene-1,2-dicarboxylate",18750-05-5,DTXSID40940214,205831,"Benzyl 2-ethylhexyl benzene-1,2-dicarboxylate",RVBLXUAPXWEIPM-UHFFFAOYSA-N,"Benzyl 2-ethylhexyl benzene-1,2-dicarboxylate",CCCCC(CC)COC(=O)C1=CC=CC=C1C(=O)OCC1=CC=CC=C1,"InChI=1S/C23H28O4/c1-3-5-11-18(4-2)16-26-22(24)20-14-9-10-15-21(20)23(25)27-17-19-12-7-6-8-13-19/h6-10,12-15,18H,3-5,11,16-17H2,1-2H3",C23H28O4,368.1987594
1088,"6-tert-Butyl-2,4-xylenol",1879-09-0,DTXSID6041551,15884,"6-tert-Butyl-2,4-xylenol",OPLCSTZDXXUYDU-UHFFFAOYSA-N,"2-tert-Butyl-4,6-dimethylphenol",CC1=CC(C)=C(O)C(=C1)C(C)(C)C,"InChI=1S/C12H18O/c1-8-6-9(2)11(13)10(7-8)12(3,4)5/h6-7,13H,1-5H3",C12H18O,178.1357652
1089,trans-beta-Farnesene,18794-84-8,DTXSID9047049,5281517,trans-beta-Farnesene,JSNRRGGBADWTMC-NTCAYCPXSA-N,"(6E)-7,11-Dimethyl-3-methylidenedodeca-1,6,10-triene",CC(C)=CCC\C(C)=C\CCC(=C)C=C,"InChI=1S/C15H24/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h6,9,12H,1,4,7-8,10-11H2,2-3,5H3/b15-12+",C15H24,204.1878008
1090,trans-2-Heptenal,18829-55-5,DTXSID30880832,5283316,trans-2-Heptenal,NDFKTBCGKNOHPJ-AATRIKPKSA-N,(2E)-Hept-2-enal,CCCC\C=C\C=O,"InChI=1S/C7H12O/c1-2-3-4-5-6-7-8/h5-7H,2-4H2,1H3/b6-5+",C7H12O,112.088815
1091,(E)-2-Nonenal,18829-56-6,DTXSID0047086,5283335,(E)-2-Nonenal,BSAIUMLZVGUGKX-BQYQJAHWSA-N,(2E)-Non-2-enal,CCCCCC\C=C\C=O,"InChI=1S/C9H16O/c1-2-3-4-5-6-7-8-9-10/h7-9H,2-6H2,1H3/b8-7+",C9H16O,140.1201151
1092,1-Hexacosene,18835-33-1,DTXSID80873052,29303,1-Hexacosene,OMXANELYEWRDAW-UHFFFAOYSA-N,,CCCCCCCCCCCCCCCCCCCCCCCCC=C,"InChI=1S/C26H52/c1-3-5-7-9-11-13-15-17-19-21-23-25-26-24-22-20-18-16-14-12-10-8-6-4-2/h3H,1,4-26H2,2H3",C26H52,364.4069017
1093,3-(3-Pentyloxiran-2-yl)prop-2-enal,188590-62-7,DTXSID50940361,526708,3-(3-Pentyloxiran-2-yl)prop-2-enal,HIOMEXREAUSUBP-UHFFFAOYSA-N,3-(3-Pentyloxiran-2-yl)prop-2-enal,CCCCCC1OC1C=CC=O,"InChI=1S/C10H16O2/c1-2-3-4-6-9-10(12-9)7-5-8-11/h5,7-10H,2-4,6H2,1H3",C10H16O2,168.1150298
1094,"Diazenedicarboxamide, N,N?-dihexyl- (9CI)",18880-27-8,,85049798,"Diazenedicarboxamide, N,N?-dihexyl- (9CI)",CXKKARJENMTTCP-UHFFFAOYSA-N,1-hexyl-3-(hexylcarbamoylimino)urea,O=C(N=NC(=O)NCCCCCC)NCCCCCC,"InChI=1S/C14H28N4O2/c1-3-5-7-9-11-15-13(19)17-18-14(20)16-12-10-8-6-4-2/h3-12H2,1-2H3,(H,15,19)(H,16,20)",C14H28N4O2,284.221
1095,"1,1'-(1,1,2,2-Tetramethylethylene)dibenzene",1889-67-4,DTXSID1062043,74681,"1,1'-(1,1,2,2-Tetramethylethylene)dibenzene",HGTUJZTUQFXBIH-UHFFFAOYSA-N,"1,1'-(2,3-Dimethylbutane-2,3-diyl)dibenzene",CC(C)(C1=CC=CC=C1)C(C)(C)C1=CC=CC=C1,"InChI=1S/C18H22/c1-17(2,15-11-7-5-8-12-15)18(3,4)16-13-9-6-10-14-16/h5-14H,1-4H3",C18H22,238.1721507
1096,1-Ethyl 6-methyl hexanedioate (ACI),18891-13-9,,573721,1-Ethyl 6-methyl hexanedioate (ACI),CWOVOJUKEQPFBA-UHFFFAOYSA-N,6-O-ethyl 1-O-methyl hexanedioate,O=C(OC)CCCCC(=O)OCC,"InChI=1S/C9H16O4/c1-3-13-9(11)7-5-4-6-8(10)12-2/h3-7H2,1-2H3",C9H16O4,188.105
1097,7-Hexadecene,18899-19-9,DTXSID0075075,520743,7-Hexadecene,JZPUSPPFVAJNGY-UHFFFAOYSA-N,Hexadec-7-ene,CCCCCCCCC=CCCCCCC,"InChI=1S/C16H32/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h13,15H,3-12,14,16H2,1-2H3",C16H32,224.250401
1098,"Benzene, 1-isocyanato-3-methoxy-",18908-07-1,DTXSID7066437,87843,"Benzene, 1-isocyanato-3-methoxy-",NPOVTGVGOBJZPY-UHFFFAOYSA-N,1-Isocyanato-3-methoxybenzene,COC1=CC(=CC=C1)N=C=O,"InChI=1S/C8H7NO2/c1-11-8-4-2-3-7(5-8)9-6-10/h2-5H,1H3",C8H7NO2,149.0476785
1099,"1,3-Dibromo-2-(2,4-dibromophenoxy)benzene",189084-57-9,DTXSID40616285,21604828,"1,3-Dibromo-2-(2,4-dibromophenoxy)benzene",WKBBBTLDLKYGBI-UHFFFAOYSA-N,"1,3-Dibromo-2-(2,4-dibromophenoxy)benzene",BrC1=CC(Br)=C(OC2=C(Br)C=CC=C2Br)C=C1,InChI=1S/C12H6Br4O/c13-7-4-5-11(10(16)6-7)17-12-8(14)2-1-3-9(12)15/h1-6H,C12H6Br4O,481.715217
1101,"2,3',4,4'-Tetrabromodiphenyl ether",189084-61-5,DTXSID9052688,15509893,"2,3',4,4'-Tetrabromodiphenyl ether",DHUMTYRHKMCVAG-UHFFFAOYSA-N,"1,2-Dibromo-4-(2,4-dibromophenoxy)benzene",BrC1=CC(Br)=C(OC2=CC(Br)=C(Br)C=C2)C=C1,InChI=1S/C12H6Br4O/c13-7-1-4-12(11(16)5-7)17-8-2-3-9(14)10(15)6-8/h1-6H,C12H6Br4O,481.715217
1102,"2,3',4',6-Tetrabromodiphenyl Ether",189084-62-6,DTXSID90873922,15509894,"2,3',4',6-Tetrabromodiphenyl Ether",COPAGYRSCJVION-UHFFFAOYSA-N,"1,3-Dibromo-2-(3,4-dibromophenoxy)benzene",BrC1=CC=CC(Br)=C1OC1=CC(Br)=C(Br)C=C1,InChI=1S/C12H6Br4O/c13-8-5-4-7(6-11(8)16)17-12-9(14)2-1-3-10(12)15/h1-6H,C12H6Br4O,481.715217
1103,BDE-75,189084-63-7,DTXSID60879895,15509895,BDE-75,BWCNKMFFUGBFGB-UHFFFAOYSA-N,"1,3,5-Tribromo-2-(4-bromophenoxy)benzene",BrC1=CC=C(OC2=C(Br)C=C(Br)C=C2Br)C=C1,InChI=1S/C12H6Br4O/c13-7-1-3-9(4-2-7)17-12-10(15)5-8(14)6-11(12)16/h1-6H,C12H6Br4O,481.715217
1104,"2,2',4,4',6-Pentabromodiphenyl ether",189084-64-8,DTXSID4052689,154083,"2,2',4,4',6-Pentabromodiphenyl ether",NSKIRYMHNFTRLR-UHFFFAOYSA-N,"1,3,5-Tribromo-2-(2,4-dibromophenoxy)benzene",BrC1=CC=C(OC2=C(Br)C=C(Br)C=C2Br)C(Br)=C1,InChI=1S/C12H5Br5O/c13-6-1-2-11(8(15)3-6)18-12-9(16)4-7(14)5-10(12)17/h1-5H,C12H5Br5O,559.62573
1105,"2,3',4,4',6-Pentabromodiphenyl Ether",189084-66-0,DTXSID50873928,15509897,"2,3',4,4',6-Pentabromodiphenyl Ether",KXEOYBYEJCRPGB-UHFFFAOYSA-N,"1,3,5-Tribromo-2-(3,4-dibromophenoxy)benzene",BrC1=CC(Br)=C(OC2=CC(Br)=C(Br)C=C2)C(Br)=C1,InChI=1S/C12H5Br5O/c13-6-3-10(16)12(11(17)4-6)18-7-1-2-8(14)9(15)5-7/h1-5H,C12H5Br5O,559.62573
1106,"1,2,3,4,5-Pentabromo-6-(2,4-dibromophenoxy)benzene",189084-67-1,DTXSID60583561,16212144,"2,2',3,4,4',5,6-Heptabromodiphenyl ether",GVNRIAPLVGNZPL-UHFFFAOYSA-N,"1,2,3,4,5-Pentabromo-6-(2,4-dibromophenoxy)benzene",BrC1=CC(Br)=C(OC2=C(Br)C(Br)=C(Br)C(Br)=C2Br)C=C1,InChI=1S/C12H3Br7O/c13-4-1-2-6(5(14)3-4)20-12-10(18)8(16)7(15)9(17)11(12)19/h1-3H,C12H3Br7O,715.446756
1107,"Methyl (1S,2R,3R,4S,6S)-6-[(3R)-3,4-dihydroxy-2-methylene-1-oxobutoxy]-4-ethenyl-2-hydroxy-3-[1-(hydroxymethyl)ethenyl]-4-methyl-?-methylenecyclohexaneacetate (ACI)",189458-61-5,DTXSID301347141,45783166,"[5-Ethenyl-3-hydroxy-4-(3-hydroxyprop-1-en-2-yl)-2-(3-methoxy-3-oxoprop-1-en-2-yl)-5-methylcyclohexyl] 3,4-dihydroxy-2-methylidenebutanoate",PUUYULQKNFTVDK-UHFFFAOYSA-N,,COC(=O)C(=C)C1C(O)C(C(=C)CO)C(C)(CC1OC(=O)C(=C)C(O)CO)C=C,"InChI=1S/C21H30O8/c1-7-21(5)8-15(29-20(27)12(3)14(24)10-23)16(13(4)19(26)28-6)18(25)17(21)11(2)9-22/h7,14-18,22-25H,1-4,8-10H2,5-6H3",C21H30O8,410.1940679
1108,"1,1',1''-(Hex-1-ene-2,4,6-triyl)tribenzene",18964-53-9,DTXSID00940477,177033,"1,1',1''-(Hex-1-ene-2,4,6-triyl)tribenzene",VTFWGFWAVPVIAA-UHFFFAOYSA-N,"1,1',1''-(Hex-1-ene-2,4,6-triyl)tribenzene",C=C(CC(CCC1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C24H24/c1-20(22-13-7-3-8-14-22)19-24(23-15-9-4-10-16-23)18-17-21-11-5-2-6-12-21/h2-16,24H,1,17-19H2",C24H24,312.1878008
1109,"4,4'-Diisopropylbiphenyl",18970-30-4,DTXSID40891217,519615,"4,4'-Diisopropylbiphenyl",NUEUMFZLNOCRCQ-UHFFFAOYSA-N,"4,4'-Di(propan-2-yl)-1,1'-biphenyl",CC(C)C1=CC=C(C=C1)C1=CC=C(C=C1)C(C)C,"InChI=1S/C18H22/c1-13(2)15-5-9-17(10-6-15)18-11-7-16(8-12-18)14(3)4/h5-14H,1-4H3",C18H22,238.1721507
1110,"1-(4-Fluorophenyl)-1,5-dihydro-3-hydroxy-4-(1H-indol-3-ylcarbonyl)-5-(3-phenoxyphenyl)-2H-pyrrol-2-one (ACI)",1899439-28-1,,,"1-(4-Fluorophenyl)-1,5-dihydro-3-hydroxy-4-(1H-indol-3-ylcarbonyl)-5-(3-phenoxyphenyl)-2H-pyrrol-2-one (ACI)",GOOWKMJRJODTAY-UHFFFAOYSA-N,,O=C(C1=CNC=2C=CC=CC21)C3=C(O)C(=O)N(C4=CC=C(F)C=C4)C3C=5C=CC=C(OC=6C=CC=CC6)C5,"InChI=1S/C31H21FN2O4/c32-20-13-15-21(16-14-20)34-28(19-7-6-10-23(17-19)38-22-8-2-1-3-9-22)27(30(36)31(34)37)29(35)25-18-33-26-12-5-4-11-24(25)26/h1-18,28,33,36H",,
1111,Heptenoic acid,18999-28-5,DTXSID6067090,29373,Heptenoic acid,YURNCBVQZBJDAJ-UHFFFAOYSA-N,Hept-2-enoic acid,CCCCC=CC(O)=O,"InChI=1S/C7H12O2/c1-2-3-4-5-6-7(8)9/h5-6H,2-4H2,1H3,(H,8,9)",C7H12O2,128.0837296
1112,Phenyl 4-methylbenzoate,1900-85-2,DTXSID70277085,219444,Phenyl 4-methylbenzoate,WOHDXQQIBRMRFA-UHFFFAOYSA-N,Phenyl 4-methylbenzoate,CC1=CC=C(C=C1)C(=O)OC1=CC=CC=C1,"InChI=1S/C14H12O2/c1-11-7-9-12(10-8-11)14(15)16-13-5-3-2-4-6-13/h2-10H,1H3",C14H12O2,212.0837296
1113,"1,3:2,4-Di-O-benzylidenesorbitol",19046-64-1,DTXSID701337473,10926424,"1,3:2,4-Di-O-benzylidenesorbitol",FMZUHGYZWYNSOA-VVBFYGJXSA-N,,[H][C@]12COC(O[C@@]1([H])[C@]([H])(OC(O2)C1=CC=CC=C1)[C@H](O)CO)C1=CC=CC=C1,"InChI=1S/C20H22O6/c21-11-15(22)17-18-16(24-20(25-17)14-9-5-2-6-10-14)12-23-19(26-18)13-7-3-1-4-8-13/h1-10,15-22H,11-12H2/t15-,16+,17-,18-,19?,20?/m1/s1",C20H22O6,358.1416384
1114,AC1LB8OT,19095-23-9,DTXSID70339091,553433,AC1LB8OT,GCEPWHJTXMREAT-UHFFFAOYSA-N,"1,1,3,3,5,5,7,7,9,9,11,11,13,13-Tetradecamethylheptasiloxane",C[SiH](C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[SiH](C)C,"InChI=1S/C14H44O6Si7/c1-21(2)15-23(5,6)17-25(9,10)19-27(13,14)20-26(11,12)18-24(7,8)16-22(3)4/h21-22H,1-14H3",C14H44O6Si7,504.1522749
1115,"1,1,3,3,5,5,7,7,9,9,11,11,13,13,15,15-hexadecamethyloctasiloxane",19095-24-0,DTXSID301017172,553432,"1,1,3,3,5,5,7,7,9,9,11,11,13,13,15,15-hexadecamethyloctasiloxane",QXHIBROWKKWYFM-UHFFFAOYSA-N,"1,1,3,3,5,5,7,7,9,9,11,11,13,13,15,15-Hexadecamethyloctasiloxane",C[SiH](C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[SiH](C)C,"InChI=1S/C16H50O7Si8/c1-24(2)17-26(5,6)19-28(9,10)21-30(13,14)23-31(15,16)22-29(11,12)20-27(7,8)18-25(3)4/h24-25H,1-16H3",C16H50O7Si8,578.1710662
1116,"Benzo[g,h,i]perylene",191-24-2,DTXSID5023908,9117,"Benzo[g,h,i]perylene",GYFAGKUZYNFMBN-UHFFFAOYSA-N,Benzo[ghi]perylene,C1=CC2=C3C(=C1)C1=C4C(C=CC5=C4C3=C(C=C2)C=C5)=CC=C1,InChI=1S/C22H12/c1-3-13-7-9-15-11-12-16-10-8-14-4-2-6-18-17(5-1)19(13)21(15)22(16)20(14)18/h1-12H,C22H12,276.0939004
1117,Atrazine,1912-24-9,DTXSID9020112,2256,Atrazine,MXWJVTOOROXGIU-UHFFFAOYSA-N,"6-Chloro-N~2~-ethyl-N~4~-(propan-2-yl)-1,3,5-triazine-2,4-diamine",CCNC1=NC(NC(C)C)=NC(Cl)=N1,"InChI=1S/C8H14ClN5/c1-4-10-7-12-6(9)13-8(14-7)11-5(2)3/h5H,4H2,1-3H3,(H2,10,11,12,13,14)",C8H14ClN5,215.0937732
1118,Benzo[e]pyrene,192-97-2,DTXSID3023764,9128,Benzo[e]pyrene,TXVHTIQJNYSSKO-UHFFFAOYSA-N,Benzo[e]pyrene,C1=CC2=C3C=CC=C4C=CC5=CC=CC(=C2C=C1)C5=C34,InChI=1S/C20H12/c1-2-8-16-15(7-1)17-9-3-5-13-11-12-14-6-4-10-18(16)20(14)19(13)17/h1-12H,C20H12,252.0939004
1119,(2S)-2-(Cyclododecylamino)-1-butanol (ACI),1920888-49-8,,29283550,(2S)-2-(Cyclododecylamino)-1-butanol (ACI),NTWDPDCVMWSZGP-HNNXBMFYSA-N,(2S)-2-(cyclododecylamino)butan-1-ol,OCC(NC1CCCCCCCCCCC1)CC,"InChI=1S/C16H33NO/c1-2-15(14-18)17-16-12-10-8-6-4-3-5-7-9-11-13-16/h15-18H,2-14H2,1H3",C16H33NO,255.256
1120,Norphytane,1921-70-6,DTXSID70870919,15979,Norphytane,XOJVVFBFDXDTEG-UHFFFAOYSA-N,"2,6,10,14-Tetramethylpentadecane",CC(C)CCCC(C)CCCC(C)CCCC(C)C,"InChI=1S/C19H40/c1-16(2)10-7-12-18(5)14-9-15-19(6)13-8-11-17(3)4/h16-19H,7-15H2,1-6H3",C19H40,268.3130013
1121,1-Iodotetradecane,19218-94-1,DTXSID9066465,29507,1-Iodotetradecane,FHQCFGPKNSSISL-UHFFFAOYSA-N,1-Iodotetradecane,CCCCCCCCCCCCCCI,"InChI=1S/C14H29I/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h2-14H2,1H3",C14H29I,324.1314
1122,"Phenylmethyl 2,3,6-tris-O-(phenylmethyl)-4-O-[3,4,6-tri-O-acetyl-2-deoxy-2-[[[(4-nitrophenyl)methoxy]carbonyl]amino]-?-D-glucopyranosyl]-?-D-glucopyranoside (ACI)",192188-37-7,,11115746,"Phenylmethyl 2,3,6-tris-O-(phenylmethyl)-4-O-[3,4,6-tri-O-acetyl-2-deoxy-2-[[[(4-nitrophenyl)methoxy]carbonyl]amino]-?-D-glucopyranosyl]-?-D-glucopyranoside (ACI)",QJHNEQNFTCEVLA-JHVAKLFGSA-N,"[(2R,3S,4R,5R,6S)-3,4-diacetyloxy-5-[(4-nitrophenyl)methoxycarbonylamino]-6-[(2R,3R,4S,5R,6R)-4,5,6-tris(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl]oxyoxan-2-yl]methyl acetate",O=C(OCC1=CC=C(C=C1)N(=O)=O)NC2C(OC(COC(=O)C)C(OC(=O)C)C2OC(=O)C)OC3C(OC(OCC=4C=CC=CC4)C(OCC=5C=CC=CC5)C3OCC=6C=CC=CC6)COCC=7C=CC=CC7,"InChI=1S/C54H58N2O17/c1-35(57)64-34-45-47(69-36(2)58)49(70-37(3)59)46(55-54(60)68-32-42-24-26-43(27-25-42)56(61)62)52(71-45)73-48-44(33-63-28-38-16-8-4-9-17-38)72-53(67-31-41-22-14-7-15-23-41)51(66-30-40-20-12-6-13-21-40)50(48)65-29-39-18-10-5-11-19-39/h4-27,44-53H,28-34H2,1-3H3,(H,55,60)",C54H58N2O17,1006.37
1123,"benzene, (1,3-dimethylbutyl)-",19219-84-2,DTXSID20880720,519646,"benzene, (1,3-dimethylbutyl)-",MAUAHKQOJAFLQH-UHFFFAOYSA-N,(4-Methylpentan-2-yl)benzene,CC(C)CC(C)C1=CC=CC=C1,"InChI=1S/C12H18/c1-10(2)9-11(3)12-7-5-4-6-8-12/h4-8,10-11H,9H2,1-3H3",C12H18,162.1408506
1124,"2,6-Bis(1,1-dimethylethyl)-4-ethenylphenol (ACI)",19263-36-6,,12576680,"2,6-Bis(1,1-dimethylethyl)-4-ethenylphenol (ACI)",ZMRCFZFFKWFWSK-UHFFFAOYSA-N,"2,6-ditert-butyl-4-ethenylphenol",OC=1C(=CC(C=C)=CC1C(C)(C)C)C(C)(C)C,"InChI=1S/C16H24O/c1-8-11-9-12(15(2,3)4)14(17)13(10-11)16(5,6)7/h8-10,17H,1H2,2-7H3",C16H24O,232.183
1125,"2,3,5,8-Tetramethyldecane",192823-15-7,DTXSID70337936,545611,"2,3,5,8-Tetramethyldecane",XTIADNINQBIUNR-UHFFFAOYSA-N,"2,3,5,8-Tetramethyldecane",CCC(C)CCC(C)CC(C)C(C)C,"InChI=1S/C14H30/c1-7-12(4)8-9-13(5)10-14(6)11(2)3/h11-14H,7-10H2,1-6H3",C14H30,198.234751
1126,"1-Methylethyl 5,9,17-hexacosatrienoate (ACI)",1928712-41-7,,129821457,"1-Methylethyl 5,9,17-hexacosatrienoate (ACI)",FNPSZXNOVZUAQZ-UHFFFAOYSA-N,"propan-2-yl hexacosa-5,9,17-trienoate",O=C(OC(C)C)CCCC=CCCC=CCCCCCCC=CCCCCCCCC,"InChI=1S/C29H52O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-29(30)31-28(2)3/h11-12,19-20,23-24,28H,4-10,13-18,21-22,25-27H2,1-3H3",C29H52O2,432.397
1127,"4-Amino-1-[(2,3-dihydro-2-benzofuranyl)methyl]-1H-pyrazole-3-carboxamide (ACI)",1928839-99-9,,107345129,"4-Amino-1-[(2,3-dihydro-2-benzofuranyl)methyl]-1H-pyrazole-3-carboxamide (ACI)",MKGSFVSKRJVLIS-UHFFFAOYSA-N,"4-amino-1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrazole-3-carboxamide",O=C(N)C1=NN(C=C1N)CC2OC=3C=CC=CC3C2,"InChI=1S/C13H14N4O2/c14-10-7-17(16-12(10)13(15)18)6-9-5-8-3-1-2-4-11(8)19-9/h1-4,7,9H,5-6,14H2,(H2,15,18)",C13H14N4O2,258.112
1128,"Indeno[1,2,3-cd]pyrene",193-39-5,DTXSID8024153,9131,"Indeno[1,2,3-cd]pyrene",SXQBHARYMNFBPS-UHFFFAOYSA-N,"Indeno[1,2,3-cd]pyrene",C1=CC2=C(C=C1)C1=C3C2=CC2=C4C(C=CC(C=C1)=C34)=CC=C2,InChI=1S/C22H12/c1-2-7-17-16(6-1)18-11-10-14-9-8-13-4-3-5-15-12-19(17)22(18)21(14)20(13)15/h1-12H,C22H12,276.0939004
1129,"Nonanoic acid, 9-oxo-, methyl ester",1931-63-1,DTXSID00172913,74732,"Nonanoic acid, 9-oxo-, methyl ester",JMLYDLZRFNYHHO-UHFFFAOYSA-N,Methyl 9-oxononanoate,COC(=O)CCCCCCCC=O,"InChI=1S/C10H18O3/c1-13-10(12)8-6-4-2-3-5-7-9-11/h9H,2-8H2,1H3",C10H18O3,186.1255944
1130,Name Not Yet Assigned,1936144-13-6,,129989004,Name Not Yet Assigned,JSTYVUJTUKKNNV-UHFFFAOYSA-N,"3-ethyl-4-hydroxy-2,4-dimethyl-5-oxooxolane-2-carboxylic acid",O=C(O)C1(OC(=O)C(O)(C)C1CC)C,"InChI=1S/C9H14O5/c1-4-5-8(2,13)7(12)14-9(5,3)6(10)11/h5,13H,4H2,1-3H3,(H,10,11)",C9H14O5,202.084
1131,cis-11-Octadecenoic acid methyl ester,1937-63-9,DTXSID801285445,5364505,cis-11-Octadecenoic acid methyl ester,PVVODBCDJBGMJL-HJWRWDBZSA-N,Methyl (11Z)-octadec-11-enoate,CCCCCC\C=C/CCCCCCCCCC(=O)OC,"InChI=1S/C19H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h8-9H,3-7,10-18H2,1-2H3/b9-8-",C19H36O2,296.2715304
1132,(4E)-4-Decene,19398-89-1,DTXSID10871304,5364458,(4E)-4-Decene,SOVOPSCRHKEUNJ-VQHVLOKHSA-N,(4E)-Dec-4-ene,CCCCC\C=C\CCC,"InChI=1S/C10H20/c1-3-5-7-9-10-8-6-4-2/h7,9H,3-6,8,10H2,1-2H3/b9-7+",C10H20,140.1565006
1133,"?-D-manno-2-Octulopyranosidonic acid, 2-propenyl 3-deoxy-4-O-(2,3,4,6,7-penta-O-acetyl-L-glycero-?-D-manno-heptopyranosyl)-, methyl ester, cyclic 7,8-carbonate (9CI)",194015-43-5,,10652456,"?-D-manno-2-Octulopyranosidonic acid, 2-propenyl 3-deoxy-4-O-(2,3,4,6,7-penta-O-acetyl-L-glycero-?-D-manno-heptopyranosyl)-, methyl ester, cyclic 7,8-carbonate (9CI)",CAJIGQYTWPQESR-RCCUEKPJSA-N,"methyl (2R,4R,5R,6S)-5-hydroxy-6-[(4R)-2-oxo-1,3-dioxolan-4-yl]-2-prop-2-enoxy-4-[(2S,3S,4S,5R,6R)-3,4,5-triacetyloxy-6-[(1S)-1,2-diacetyloxyethyl]oxan-2-yl]oxyoxane-2-carboxylate",O=C1OCC(O1)C2OC(OCC=C)(C(=O)OC)CC(OC3OC(C(OC(=O)C)COC(=O)C)C(OC(=O)C)C(OC(=O)C)C3OC(=O)C)C2O,"InChI=1S/C30H40O20/c1-8-9-42-30(28(37)39-7)10-18(21(36)22(50-30)19-12-41-29(38)48-19)47-27-26(46-17(6)35)25(45-16(5)34)24(44-15(4)33)23(49-27)20(43-14(3)32)11-40-13(2)31/h8,18-27,36H,1,9-12H2,2-7H3",C30H40O20,720.211
1134,"1,2,3,7,8,9-Hexachlorodibenzo-p-dioxin",19408-74-3,DTXSID6023781,29575,"1,2,3,7,8,9-Hexachlorodibenzo-p-dioxin",LGIRBUBHIWTVCK-UHFFFAOYSA-N,"1,2,3,7,8,9-Hexachlorooxanthrene",ClC1=CC2=C(OC3=C(O2)C=C(Cl)C(Cl)=C3Cl)C(Cl)=C1Cl,InChI=1S/C12H2Cl6O2/c13-3-1-5-11(9(17)7(3)15)20-12-6(19-5)2-4(14)8(16)10(12)18/h1-2H,C12H2Cl6O2,387.8185955
1135,cis-Eudesm-6-en-11-ol,194607-96-0,,21594716,cis-Eudesm-6-en-11-ol,YAQHBZWQFWXJOL-ZLDLUXBVSA-N,"2-[(4aS,8R,8aR)-4a,8-dimethyl-4,5,6,7,8,8a-hexahydro-3H-naphthalen-2-yl]propan-2-ol",OC(C1=CC2C(C)CCCC2(C)CC1)(C)C,"InChI=1S/C15H26O/c1-11-6-5-8-15(4)9-7-12(10-13(11)15)14(2,3)16/h10-11,13,16H,5-9H2,1-4H3",C15H26O,222.198
1136,"1,5-hexadiene, 3,4-diethyl-1,6-diphenyl-, (e,e)-",19474-73-8,DTXSID30880812,5372776,"1,5-hexadiene, 3,4-diethyl-1,6-diphenyl-, (e,e)-",PYUGQSOLFINKJP-YTEMWHBBSA-N,"1,1'-[(1E,5E)-3,4-Diethylhexa-1,5-diene-1,6-diyl]dibenzene",CCC(\C=C\C1=CC=CC=C1)C(CC)\C=C\C1=CC=CC=C1,"InChI=1S/C22H26/c1-3-21(17-15-19-11-7-5-8-12-19)22(4-2)18-16-20-13-9-6-10-14-20/h5-18,21-22H,3-4H2,1-2H3/b17-15+,18-16+",C22H26,290.2034508
1137,tert-Butylhydroquinone,1948-33-0,DTXSID6020220,16043,tert-Butylhydroquinone,BGNXCDMCOKJUMV-UHFFFAOYSA-N,"2-tert-Butylbenzene-1,4-diol",CC(C)(C)C1=CC(O)=CC=C1O,"InChI=1S/C10H14O2/c1-10(2,3)8-6-7(11)4-5-9(8)12/h4-6,11-12H,1-3H3",C10H14O2,166.0993797
1138,1-(2-vinylphenyl)-1h-isochromene,194877-16-2,DTXSID00880662,613014,1-(2-vinylphenyl)-1h-isochromene,VOSOKIOTSLZHNF-UHFFFAOYSA-N,1-(2-Ethenylphenyl)-1H-2-benzopyran,C=CC1=CC=CC=C1C1OC=CC2=CC=CC=C12,"InChI=1S/C17H14O/c1-2-13-7-3-5-9-15(13)17-16-10-6-4-8-14(16)11-12-18-17/h2-12,17H,1H2",C17H14O,234.1044651
1139,Benzo[c]phenanthrene,195-19-7,DTXSID4075459,9136,Benzo[c]phenanthrene,TUAHORSUHVUKBD-UHFFFAOYSA-N,Benzo[c]phenanthrene,C1=CC=C2C(C=CC3=C2C2=CC=CC=C2C=C3)=C1,InChI=1S/C18H12/c1-3-7-16-13(5-1)9-11-15-12-10-14-6-2-4-8-17(14)18(15)16/h1-12H,C18H12,228.0939004
1140,2-Phthalimidopropionic acid,19506-87-7,DTXSID50880899,86884,2-Phthalimidopropionic acid,OZWUITKBAWTEAQ-UHFFFAOYSA-N,"2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoic acid",CC(N1C(=O)C2=CC=CC=C2C1=O)C(O)=O,"InChI=1S/C11H9NO4/c1-6(11(15)16)12-9(13)7-4-2-3-5-8(7)10(12)14/h2-6H,1H3,(H,15,16)",C11H9NO4,219.0531578
1141,"2,4-Dimethyl-1-heptene",19549-87-2,DTXSID90864895,123385,"2,4-Dimethyl-1-heptene",CZGAOHSMVSIJJZ-UHFFFAOYSA-N,"2,4-Dimethylhept-1-ene",CCCC(C)CC(C)=C,"InChI=1S/C9H18/c1-5-6-9(4)7-8(2)3/h9H,2,5-7H2,1,3-4H3",C9H18,126.1408506
1142,"2,3-Dimethylbutan-1-ol",19550-30-2,DTXSID60941324,29656,"2,3-Dimethylbutan-1-ol",SXSWMAUXEHKFGX-UHFFFAOYSA-N,"2,3-Dimethylbutan-1-ol",CC(C)C(C)CO,"InChI=1S/C6H14O/c1-5(2)6(3)4-7/h5-7H,4H2,1-3H3",C6H14O,102.1044651
1143,"2,9-Dimethyl-5-decyne",19550-56-2,DTXSID20173225,140552,"2,9-Dimethyl-5-decyne",RCFYJIGZQAOTFV-UHFFFAOYSA-N,"2,9-Dimethyldec-5-yne",CC(C)CCC#CCCC(C)C,"InChI=1S/C12H22/c1-11(2)9-7-5-6-8-10-12(3)4/h11-12H,7-10H2,1-4H3",C12H22,166.1721507
1144,"octane, 3,7-dimethyl-1-(2,5-xylyl)-",19550-60-8,DTXSID60880729,140553,"octane, 3,7-dimethyl-1-(2,5-xylyl)-",GDGPOTBJJLOPRZ-UHFFFAOYSA-N,"2-(3,7-Dimethyloctyl)-1,4-dimethylbenzene",CC(C)CCCC(C)CCC1=CC(C)=CC=C1C,"InChI=1S/C18H30/c1-14(2)7-6-8-15(3)10-12-18-13-16(4)9-11-17(18)5/h9,11,13-15H,6-8,10,12H2,1-5H3",C18H30,246.234751
1145,"O,S-Bis(1-methylethyl) carbonodithioate (ACI)",19615-06-6,,536604,"O,S-Bis(1-methylethyl) carbonodithioate (ACI)",HSNHLHNSJCYPNU-UHFFFAOYSA-N,O-propan-2-yl propan-2-ylsulfanylmethanethioate,S=C(OC(C)C)SC(C)C,"InChI=1S/C7H14OS2/c1-5(2)8-7(9)10-6(3)4/h5-6H,1-4H3",C7H14OS2,178.049
1146,"5-[[(2-Methoxyethyl)amino]methyl]-N-(1,2,4-oxadiazol-3-ylmethyl)-2-furansulfonamide (ACI)",1964926-35-9,,106410013,"5-[[(2-Methoxyethyl)amino]methyl]-N-(1,2,4-oxadiazol-3-ylmethyl)-2-furansulfonamide (ACI)",AZPCOTCESJBELY-UHFFFAOYSA-N,"5-[(2-methoxyethylamino)methyl]-N-(1,2,4-oxadiazol-3-ylmethyl)furan-2-sulfonamide",O=S(=O)(NCC1=NOC=N1)C=2OC(=CC2)CNCCOC,"InChI=1S/C11H16N4O5S/c1-18-5-4-12-6-9-2-3-11(20-9)21(16,17)14-7-10-13-8-19-15-10/h2-3,8,12,14H,4-7H2,1H3",C11H16N4O5S,316.084
1147,Geosmin,19700-21-1,DTXSID801024112,29746,Geosmin,JLPUXFOGCDVKGO-TUAOUCFPSA-N,,C[C@H]1CCC[C@@]2(C)CCCC[C@]12O,"InChI=1S/C12H22O/c1-10-6-5-8-11(2)7-3-4-9-12(10,11)13/h10,13H,3-9H2,1-2H3/t10-,11+,12-/m0/s1",C12H22O,182.1670653
1148,9-Ethyl-10-methylanthracene,19713-49-6,DTXSID30491982,12341314,9-Ethyl-10-methylanthracene,KLSBNPSLEGBUSK-UHFFFAOYSA-N,9-Ethyl-10-methylanthracene,CCC1=C2C=CC=CC2=C(C)C2=CC=CC=C12,"InChI=1S/C17H16/c1-3-13-16-10-6-4-8-14(16)12(2)15-9-5-7-11-17(13)15/h4-11H,3H2,1-2H3",C17H16,220.1252005
1149,"4-Quinolinecarboxylic acid, 6-phenyl- (ACI)",1973181-45-1,,102941721,"4-Quinolinecarboxylic acid, 6-phenyl- (ACI)",BAHAQHNXBOUTIA-UHFFFAOYSA-N,6-phenylquinoline-4-carboxylic acid,O=C(O)C1=CC=NC2=CC=C(C=C21)C=3C=CC=CC3,"InChI=1S/C16H11NO2/c18-16(19)13-8-9-17-15-7-6-12(10-14(13)15)11-4-2-1-3-5-11/h1-10H,(H,18,19)",C16H11NO2,249.079
1150,"Propanoic acid, 2-methyl-, 2,2-dimethyl-1-[1-(2-methyl-1-oxopropoxy)ethyl]propyl ester (ZCI)",1975146-30-5,,91753768,"Propanoic acid, 2-methyl-, 2,2-dimethyl-1-[1-(2-methyl-1-oxopropoxy)ethyl]propyl ester (ZCI)",FERSOBASMASJSG-UHFFFAOYSA-N,"[4,4-dimethyl-3-(2-methylpropanoyloxy)pentan-2-yl] 2-methylpropanoate",O=C(OC(C)C(OC(=O)C(C)C)C(C)(C)C)C(C)C,"InChI=1S/C15H28O4/c1-9(2)13(16)18-11(5)12(15(6,7)8)19-14(17)10(3)4/h9-12H,1-8H3",C15H28O4,272.199
1151,5-Dodecyne,19780-12-2,DTXSID10173476,140583,5-Dodecyne,JQPXWRQCSIYOOP-UHFFFAOYSA-N,Dodec-5-yne,CCCCCCC#CCCCC,"InChI=1S/C12H22/c1-3-5-7-9-11-12-10-8-6-4-2/h3-9,11H2,1-2H3",C12H22,166.1721507
1152,3-Ethylheptan-3-ol,19780-41-7,DTXSID70173477,88241,3-Ethylheptan-3-ol,XKRZDNKKANUBPV-UHFFFAOYSA-N,3-Ethylheptan-3-ol,CCCCC(O)(CC)CC,"InChI=1S/C9H20O/c1-4-7-8-9(10,5-2)6-3/h10H,4-8H2,1-3H3",C9H20O,144.1514153
1153,Ethylidenecyclooctane,19780-51-9,DTXSID30173478,140587,Ethylidenecyclooctane,WSOKCFIRHYCWJE-UHFFFAOYSA-N,Ethylidenecyclooctane,CC=C1CCCCCCC1,"InChI=1S/C10H18/c1-2-10-8-6-4-3-5-7-9-10/h2H,3-9H2,1H3",C10H18,138.1408506
1154,2-Hexyl-1-octanol,19780-79-1,DTXSID20337921,545551,2-Hexyl-1-octanol,QNMCWJOEQBZQHB-UHFFFAOYSA-N,2-Hexyloctan-1-ol,CCCCCCC(CO)CCCCCC,"InChI=1S/C14H30O/c1-3-5-7-9-11-14(13-15)12-10-8-6-4-2/h14-15H,3-13H2,1-2H3",C14H30O,214.2296656
1155,2-Hexyl-1-octene,19780-80-4,DTXSID80173483,140594,2-Hexyl-1-octene,QDOYJBSJTHIWKH-UHFFFAOYSA-N,7-Methylidenetridecane,CCCCCCC(=C)CCCCCC,"InChI=1S/C14H28/c1-4-6-8-10-12-14(3)13-11-9-7-5-2/h3-13H2,1-2H3",C14H28,196.2191009
1156,3-ethyl-3-phenyl-1-pentene,19781-34-1,DTXSID10880936,519708,3-ethyl-3-phenyl-1-pentene,JUYLWJTWBDJSLZ-UHFFFAOYSA-N,(3-Ethylpent-1-en-3-yl)benzene,CCC(CC)(C=C)C1=CC=CC=C1,"InChI=1S/C13H18/c1-4-13(5-2,6-3)12-10-8-7-9-11-12/h4,7-11H,1,5-6H2,2-3H3",C13H18,174.1408506
1157,8-Hexadecyne,19781-86-3,DTXSID80873097,123387,8-Hexadecyne,YSDKMBBHKZXPME-UHFFFAOYSA-N,Hexadec-8-yne,CCCCCCCC#CCCCCCCC,"InChI=1S/C16H30/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-14H2,1-2H3",C16H30,222.234751
1158,"[(2E)-1,4-Dimethyl-2-penten-1-yl]benzene (ACI)",197958-16-0,,,"[(2E)-1,4-Dimethyl-2-penten-1-yl]benzene (ACI)",VKZZGLZQWTWKTP-MDZDMXLPNA-N,,C=1C=CC(=CC1)C(C=CC(C)C)C,"InChI=1S/C13H18/c1-11(2)9-10-12(3)13-7-5-4-6-8-13/h4-12H,1-3H3",,
1159,Perylene,198-55-0,DTXSID4047753,9142,Perylene,CSHWQDPOILHKBI-UHFFFAOYSA-N,Perylene,C1=CC2=C3C(=C1)C1=CC=CC4=C1C(=CC=C4)C3=CC=C2,InChI=1S/C20H12/c1-5-13-6-2-11-17-18-12-4-8-14-7-3-10-16(20(14)18)15(9-1)19(13)17/h1-12H,C20H12,252.0939004
1160,"(1,1-Dimethylbutyl)benzene",1985-57-5,DTXSID10173597,16136,"(1,1-Dimethylbutyl)benzene",PIUUDKDOAUICQP-UHFFFAOYSA-N,(2-Methylpentan-2-yl)benzene,CCCC(C)(C)C1=CC=CC=C1,"InChI=1S/C12H18/c1-4-10-12(2,3)11-8-6-5-7-9-11/h5-9H,4,10H2,1-3H3",C12H18,162.1408506
1161,"1,1-Dimethyl(1,2,3,4-tetrahydronaphthalene)",1985-59-7,DTXSID70173598,16137,"1,1-Dimethyl(1,2,3,4-tetrahydronaphthalene)",ABIPNDAVRBMCHV-UHFFFAOYSA-N,"1,1-Dimethyl-1,2,3,4-tetrahydronaphthalene",CC1(C)CCCC2=CC=CC=C12,"InChI=1S/C12H16/c1-12(2)9-5-7-10-6-3-4-8-11(10)12/h3-4,6,8H,5,7,9H2,1-2H3",C12H16,160.1252005
1162,"1,1,1-Trifluoro-3-(pyrido[2,3-b]pyrazin-6-ylamino)-2-propanol (ACI)",1985153-22-7,,113228870,"1,1,1-Trifluoro-3-(pyrido[2,3-b]pyrazin-6-ylamino)-2-propanol (ACI)",RMDHSJVLLZWRKG-UHFFFAOYSA-N,"1,1,1-trifluoro-3-(pyrido[2,3-b]pyrazin-6-ylamino)propan-2-ol",FC(F)(F)C(O)CNC=1N=C2N=CC=NC2=CC1,"InChI=1S/C10H9F3N4O/c11-10(12,13)7(18)5-16-8-2-1-6-9(17-8)15-4-3-14-6/h1-4,7,18H,5H2,(H,15,16,17)",C10H9F3N4O,258.073
1163,Bis(decyloxy)phosphanolate,19931-58-9,DTXSID00622706,22134092,Bis(decyloxy)phosphanolate,POWRQOUEUWZUNQ-UHFFFAOYSA-N,Bis(decyloxy)phosphanolate,CCCCCCCCCCOP([O-])OCCCCCCCCCC,"InChI=1S/C20H42O3P/c1-3-5-7-9-11-13-15-17-19-22-24(21)23-20-18-16-14-12-10-8-6-4-2/h3-20H2,1-2H3/q-1",C20H42O3P,361.2877058
1164,"1,3-Benzenedimethanol, .alpha.1,.alpha.1,.alpha.3,.alpha.3-tetramethyl-",1999-85-5,DTXSID80883535,74816,"1,3-Benzenedimethanol, .alpha.1,.alpha.1,.alpha.3,.alpha.3-tetramethyl-",UGPWRRVOLLMHSC-UHFFFAOYSA-N,"2,2'-(1,3-Phenylene)di(propan-2-ol)",CC(C)(O)C1=CC(=CC=C1)C(C)(C)O,"InChI=1S/C12H18O2/c1-11(2,13)9-6-5-7-10(8-9)12(3,4)14/h5-8,13-14H,1-4H3",C12H18O2,194.1306798
1165,"2,2,2-Trichloro-1-phenylethanol",2000-43-3,DTXSID7051842,16150,"2,2,2-Trichloro-1-phenylethanol",ABFRBTDJEKZSRM-UHFFFAOYSA-N,"2,2,2-Trichloro-1-phenylethan-1-ol",OC(C1=CC=CC=C1)C(Cl)(Cl)Cl,"InChI=1S/C8H7Cl3O/c9-8(10,11)7(12)6-4-2-1-3-5-6/h1-5,7,12H",C8H7Cl3O,223.9562479
1166,"Dihydro-5-methyl-5-(4,8,12-trimethyltridecyl)-2(3H)- furanone",200272-61-3,DTXSID101015887,,"Dihydro-5-methyl-5-(4,8,12-trimethyltridecyl)-2(3H)- furanone",,,,,,
1167,"L-Rhamnono-1,4-lactone",20031-16-7,,5460219,"L-Rhamnono-1,4-lactone",VASLEPDZAKCNJX-KLVWXMOXSA-N,"(3R,4S,5S)-3,4-dihydroxy-5-[(1S)-1-hydroxyethyl]oxolan-2-one",O=C1OC(C(O)C)C(O)C1O,"InChI=1S/C6H10O5/c1-2(7)5-3(8)4(9)6(10)11-5/h2-5,7-9H,1H3",C6H10O5,162.053
1168,"2,4-di-tert-butyl-6-nitrophenol",20039-94-5,DTXSID60346991,616897,"2,4-di-tert-butyl-6-nitrophenol",GVKJWGRAPDVEMC-UHFFFAOYSA-N,"2,4-Di-tert-butyl-6-nitrophenol",CC(C)(C)C1=CC(=C(O)C(=C1)[N+]([O-])=O)C(C)(C)C,"InChI=1S/C14H21NO3/c1-13(2,3)9-7-10(14(4,5)6)12(16)11(8-9)15(17)18/h7-8,16H,1-6H3",C14H21NO3,251.1521435
1169,Non-3-ene,20063-77-8,DTXSID90871307,88350,Non-3-ene,YCBSHDKATAPNIA-UHFFFAOYSA-N,Non-3-ene,CCCCCC=CCC,"InChI=1S/C9H18/c1-3-5-7-9-8-6-4-2/h5,7H,3-4,6,8-9H2,1-2H3",C9H18,126.1408506
1170,"trans-1,2-Diphenylcyclobutane",20071-09-4,DTXSID201034434,11954175,"trans-1,2-Diphenylcyclobutane",AERGGMDNGDDGPI-HOTGVXAUSA-N,,C1C[C@H]([C@@H]1C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C16H16/c1-3-7-13(8-4-1)15-11-12-16(15)14-9-5-2-6-10-14/h1-10,15-16H,11-12H2/t15-,16-/m0/s1",C16H16,208.1252005
1171,"1-Propanol, 2-[2-(benzoyloxy)propoxy]-, 1-benzoate",20109-39-1,DTXSID40864921,89272,"1-Propanol, 2-[2-(benzoyloxy)propoxy]-, 1-benzoate",LXODQLXKQIJVNK-UHFFFAOYSA-N,1-{[1-(Benzoyloxy)propan-2-yl]oxy}propan-2-yl benzoate,CC(COC(=O)C1=CC=CC=C1)OCC(C)OC(=O)C1=CC=CC=C1,"InChI=1S/C20H22O5/c1-15(13-24-19(21)17-9-5-3-6-10-17)23-14-16(2)25-20(22)18-11-7-4-8-12-18/h3-12,15-16H,13-14H2,1-2H3",C20H22O5,342.1467238
1172,Fenozan,20170-32-5,DTXSID2066561,88389,Fenozan,WPMYUUITDBHVQZ-UHFFFAOYSA-N,"3-(3,5-Di-tert-butyl-4-hydroxyphenyl)propanoic acid",CC(C)(C)C1=CC(CCC(O)=O)=CC(=C1O)C(C)(C)C,"InChI=1S/C17H26O3/c1-16(2,3)12-9-11(7-8-14(18)19)10-13(15(12)20)17(4,5)6/h9-10,20H,7-8H2,1-6H3,(H,18,19)",C17H26O3,278.1881947
1173,"5,7-Bis(1,1-dimethylethyl)-3-[2,3(or 3,4)-dimethylphenyl]-2(3H)-benzofuranone",201815-03-4,DTXSID101338273,,"5,7-Bis(1,1-dimethylethyl)-3-[2,3(or 3,4)-dimethylphenyl]-2(3H)-benzofuranone",,,,,,
1174,"1,1'-Biphenyl, 3-(1-methylethyl)-",20282-30-8,DTXSID4074019,88457,"1,1'-Biphenyl, 3-(1-methylethyl)-",LIWRTHVZRZXVFX-UHFFFAOYSA-N,"3-(Propan-2-yl)-1,1'-biphenyl",CC(C)C1=CC=CC(=C1)C1=CC=CC=C1,"InChI=1S/C15H16/c1-12(2)14-9-6-10-15(11-14)13-7-4-3-5-8-13/h3-12H,1-2H3",C15H16,196.1252005
1175,"Hexane, 1-(methylthio)-",20291-60-5,DTXSID40334134,519759,"Hexane, 1-(methylthio)-",LZRXQHHKXDXOIC-UHFFFAOYSA-N,1-(Methylsulfanyl)hexane,CCCCCCSC,"InChI=1S/C7H16S/c1-3-4-5-6-7-8-2/h3-7H2,1-2H3",C7H16S,132.0972717
1176,"1,2-Dimethylphenanthrene",20291-72-9,DTXSID30942429,177123,"1,2-Dimethylphenanthrene",ASWRLTWCQYWZFL-UHFFFAOYSA-N,"1,2-Dimethylphenanthrene",CC1=C(C)C2=C(C=C1)C1=CC=CC=C1C=C2,"InChI=1S/C16H14/c1-11-7-9-16-14(12(11)2)10-8-13-5-3-4-6-15(13)16/h3-10H,1-2H3",C16H14,206.1095505
1177,"Dodecanoic acid, 2-ethylhexyl ester",20292-08-4,DTXSID50864937,89309,"Dodecanoic acid, 2-ethylhexyl ester",LWLRMRFJCCMNML-UHFFFAOYSA-N,2-Ethylhexyl dodecanoate,CCCCCCCCCCCC(=O)OCC(CC)CCCC,"InChI=1S/C20H40O2/c1-4-7-9-10-11-12-13-14-15-17-20(21)22-18-19(6-3)16-8-5-2/h19H,4-18H2,1-3H3",C20H40O2,312.3028305
1178,Benzo[ghi]fluoranthene,203-12-3,DTXSID4075455,9144,Benzo[ghi]fluoranthene,YEIHPPOCKIHUQJ-UHFFFAOYSA-N,Benzo[ghi]fluoranthene,C1=CC2=CC=C3C=CC4=CC=CC5=C4C3=C2C5=C1,InChI=1S/C18H10/c1-3-11-7-9-13-10-8-12-4-2-6-15-14(5-1)16(11)18(13)17(12)15/h1-10H,C18H10,226.0782503
1179,1H-Phenalene,203-80-5,DTXSID5075369,9149,1H-Phenalene,XDJOIMJURHQYDW-UHFFFAOYSA-N,1H-Phenalene,C1C=CC2=CC=CC3=CC=CC1=C23,"InChI=1S/C13H10/c1-4-10-6-2-8-12-9-3-7-11(5-1)13(10)12/h1-8H,9H2",C13H10,166.0782503
1180,"3-Dodecene (7CI, 8CI, 9CI, ACI)",2030-83-3,,137285,"3-Dodecene (7CI, 8CI, 9CI, ACI)",WLTSXAIICPDFKI-UHFFFAOYSA-N,dodec-3-ene,C(=CCCCCCCCC)CC,"InChI=1S/C12H24/c1-3-5-7-9-11-12-10-8-6-4-2/h5,7H,3-4,6,8-12H2,1-2H3",C12H24,168.188
1181,delta-Elemene,20307-84-0,DTXSID00864301,89316,delta-Elemene,MXDMETWAEGIFOE-UHFFFAOYSA-N,4-Ethenyl-4-methyl-1-(propan-2-yl)-3-(prop-1-en-2-yl)cyclohex-1-ene,CC(C)C1=CC(C(C)=C)C(C)(CC1)C=C,"InChI=1S/C15H24/c1-7-15(6)9-8-13(11(2)3)10-14(15)12(4)5/h7,10-11,14H,1,4,8-9H2,2-3,5-6H3",C15H24,204.1878008
1182,"1,4:5,8-Dimethanonaphthalene, 6,7-dibromo-1,2,3,4,10,10-hexachloro-1,4,4a,5,6,7,8,8a-octahydro-",20389-65-5,DTXSID10107610,,"1,4:5,8-Dimethanonaphthalene, 6,7-dibromo-1,2,3,4,10,10-hexachloro-1,4,4a,5,6,7,8,8a-octahydro-",,,,,,
1183,3-Acetylphenanthrene,2039-76-1,DTXSID9049243,74867,3-Acetylphenanthrene,JKVNPRNAHRHQDD-UHFFFAOYSA-N,1-(Phenanthren-3-yl)ethan-1-one,CC(=O)C1=CC2=C(C=C1)C=CC1=CC=CC=C21,"InChI=1S/C16H12O/c1-11(17)14-9-8-13-7-6-12-4-2-3-5-15(12)16(13)10-14/h2-10H,1H3",C16H12O,220.088815
1184,"Benzene, (1-methylenepropyl)-",2039-93-2,DTXSID80174334,74871,"Benzene, (1-methylenepropyl)-",SQHOHKQMTHROSF-UHFFFAOYSA-N,(But-1-en-2-yl)benzene,CCC(=C)C1=CC=CC=C1,"InChI=1S/C10H12/c1-3-9(2)10-7-5-4-6-8-10/h4-8H,2-3H2,1H3",C10H12,132.0939004
1185,"4'-tert-Butyl-2',6'-dimethylacetophenone",2040-10-0,DTXSID9047120,74879,"4'-tert-Butyl-2',6'-dimethylacetophenone",JNHLHPMTMTYLCP-UHFFFAOYSA-N,"1-(4-tert-Butyl-2,6-dimethylphenyl)ethan-1-one",CC(=O)C1=C(C)C=C(C=C1C)C(C)(C)C,"InChI=1S/C14H20O/c1-9-7-12(14(4,5)6)8-10(2)13(9)11(3)15/h7-8H,1-6H3",C14H20O,204.1514153
1186,Butylcyclopentane,2040-95-1,DTXSID00174351,16269,Butylcyclopentane,ZAGHKONXGGSVDV-UHFFFAOYSA-N,Butylcyclopentane,CCCCC1CCCC1,"InChI=1S/C9H18/c1-2-3-6-9-7-4-5-8-9/h9H,2-8H2,1H3",C9H18,126.1408506
1187,(E)-Dodec-2-en-1-al,20407-84-5,DTXSID2051847,5283361,(E)-Dodec-2-en-1-al,SSNZFFBDIMUILS-ZHACJKMWSA-N,(2E)-Dodec-2-enal,CCCCCCCCC\C=C\C=O,"InChI=1S/C12H22O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h10-12H,2-9H2,1H3/b11-10+",C12H22O,182.1670653
1188,"N,N-Dinonyl-1-nonanamine",2044-22-6,DTXSID20880447,137295,"N,N-Dinonyl-1-nonanamine",ZQJAONQEOXOVNR-UHFFFAOYSA-N,"N,N-Dinonylnonan-1-amine",CCCCCCCCCN(CCCCCCCCC)CCCCCCCCC,"InChI=1S/C27H57N/c1-4-7-10-13-16-19-22-25-28(26-23-20-17-14-11-8-5-2)27-24-21-18-15-12-9-6-3/h4-27H2,1-3H3",C27H57N,395.4491008
1189,Benzenebutanenitrile,2046-18-6,DTXSID6062129,74897,Benzenebutanenitrile,ICMVGKQFVMTRLB-UHFFFAOYSA-N,4-Phenylbutanenitrile,N#CCCCC1=CC=CC=C1,"InChI=1S/C10H11N/c11-9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8H2",C10H11N,145.0891494
1190,2-methylenecyclopentanol,20461-31-8,DTXSID60338750,550922,2-methylenecyclopentanol,GQKSJBOBUIUXGZ-UHFFFAOYSA-N,2-Methylidenecyclopentan-1-ol,OC1CCCC1=C,"InChI=1S/C6H10O/c1-5-3-2-4-6(5)7/h6-7H,1-4H2",C6H10O,98.07316494
1191,"Propanedioic acid, 2-(2-propen-1-yl)-, 1,3-diethyl ester",2049-80-1,DTXSID30883787,74900,"Propanedioic acid, 2-(2-propen-1-yl)-, 1,3-diethyl ester",GDWAYKGILJJNBB-UHFFFAOYSA-N,Diethyl (prop-2-en-1-yl)propanedioate,CCOC(=O)C(CC=C)C(=O)OCC,"InChI=1S/C10H16O4/c1-4-7-8(9(11)13-5-2)10(12)14-6-3/h4,8H,1,5-7H2,2-3H3",C10H16O4,200.104859
1192,tert-Pentylbenzene,2049-95-8,DTXSID7051848,16295,tert-Pentylbenzene,QHTJSSMHBLGUHV-UHFFFAOYSA-N,(2-Methylbutan-2-yl)benzene,CCC(C)(C)C1=CC=CC=C1,"InChI=1S/C11H16/c1-4-11(2,3)10-8-6-5-7-9-10/h5-9H,4H2,1-3H3",C11H16,148.1252005
1194,Benzo(b)fluoranthene,205-99-2,DTXSID0023907,9153,Benzo(b)fluoranthene,FTOVXSOBNPWTSH-UHFFFAOYSA-N,Benzo[e]acephenanthrylene,C1=CC=C2C(=C1)C1=CC=CC3=C4C=CC=CC4=CC2=C13,InChI=1S/C20H12/c1-2-7-14-13(6-1)12-19-16-9-4-3-8-15(16)18-11-5-10-17(14)20(18)19/h1-12H,C20H12,252.0939004
1195,Pentyl 2-hydroxybenzoate,2050-08-0,DTXSID9029227,16299,Pentyl 2-hydroxybenzoate,RANVDUNFZBMTBK-UHFFFAOYSA-N,Pentyl 2-hydroxybenzoate,CCCCCOC(=O)C1=C(O)C=CC=C1,"InChI=1S/C12H16O3/c1-2-3-6-9-15-12(14)10-7-4-5-8-11(10)13/h4-5,7-8,13H,2-3,6,9H2,1H3",C12H16O3,208.1099444
1196,"4,4'-Dibromodiphenyl ether",2050-47-7,DTXSID9024015,16305,"4,4'-Dibromodiphenyl ether",YAWIAFUBXXPJMQ-UHFFFAOYSA-N,"1,1'-Oxybis(4-bromobenzene)",BrC1=CC=C(OC2=CC=C(Br)C=C2)C=C1,InChI=1S/C12H8Br2O/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8H,C12H8Br2O,325.894191
1197,"2,6-Dimethyloctane",2051-30-1,DTXSID7058628,16319,"2,6-Dimethyloctane",ZALHPSXXQIPKTQ-UHFFFAOYSA-N,"2,6-Dimethyloctane",CCC(C)CCCC(C)C,"InChI=1S/C10H22/c1-5-10(4)8-6-7-9(2)3/h9-10H,5-8H2,1-4H3",C10H22,142.1721507
1198,2-Bromobiphenyl,2052-07-5,DTXSID0024638,16329,2-Bromobiphenyl,KTADSLDAUJLZGL-UHFFFAOYSA-N,"2-Bromo-1,1'-biphenyl",BrC1=C(C=CC=C1)C1=CC=CC=C1,InChI=1S/C12H9Br/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H,C12H9Br,231.988763
1199,Bis(7-methyloctyl) phthalate,20548-62-3,DTXSID60860420,590836,Bis(7-methyloctyl) phthalate,HBGGXOJOCNVPFY-UHFFFAOYSA-N,"Bis(7-methyloctyl) benzene-1,2-dicarboxylate",CC(C)CCCCCCOC(=O)C1=C(C=CC=C1)C(=O)OCCCCCCC(C)C,"InChI=1S/C26H42O4/c1-21(2)15-9-5-7-13-19-29-25(27)23-17-11-12-18-24(23)26(28)30-20-14-8-6-10-16-22(3)4/h11-12,17-18,21-22H,5-10,13-16,19-20H2,1-4H3",C26H42O4,418.3083098
1200,"rel-4-[(2R,4S)-4-[Ethyl(2-phenylethyl)amino]tetrahydro-2H-pyran-2-yl]-N,N-dimethylbenzamide (ACI)",2058750-71-1,,,"rel-4-[(2R,4S)-4-[Ethyl(2-phenylethyl)amino]tetrahydro-2H-pyran-2-yl]-N,N-dimethylbenzamide (ACI)",VMEOWRCUCDWGRV-VUEPYQETNA-N,,O=C(C1=CC=C(C=C1)C2OCCC(N(CC)CCC=3C=CC=CC3)C2)N(C)C,"InChI=1S/C24H32N2O2/c1-4-26(16-14-19-8-6-5-7-9-19)22-15-17-28-23(18-22)20-10-12-21(13-11-20)24(27)25(2)3/h5-13,22-23H,4,14-18H2,1-3H3",,
1201,(R)-3-Hydroxyhexadecanoic acid,20595-04-4,DTXSID401344857,15569776,(R)-3-Hydroxypalmitic acid,CBWALJHXHCJYTE-OAHLLOKOSA-N,,CCCCCCCCCCCCC[C@@H](O)CC(O)=O,"InChI=1S/C16H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-15(17)14-16(18)19/h15,17H,2-14H2,1H3,(H,18,19)/t15-/m1/s1",C16H32O3,272.2351449
1202,Fluoranthene,206-44-0,DTXSID3024104,9154,Fluoranthene,GVEPBJHOBDJJJI-UHFFFAOYSA-N,Fluoranthene,C1=CC2=C(C=C1)C1=C3C2=CC=CC3=CC=C1,InChI=1S/C16H10/c1-2-8-13-12(7-1)14-9-3-5-11-6-4-10-15(13)16(11)14/h1-10H,C16H10,202.0782503
1203,4-Phenyloxazole,20662-89-9,DTXSID10343354,589279,4-Phenyloxazole,NTFMLYSGIKHECT-UHFFFAOYSA-N,"4-Phenyl-1,3-oxazole",O1C=NC(=C1)C1=CC=CC=C1,InChI=1S/C9H7NO/c1-2-4-8(5-3-1)9-6-11-7-10-9/h1-7H,C9H7NO,145.0527638
1204,"3-Phenyl-1,2-dihydronaphthalene",20669-52-7,DTXSID40289236,246608,"3-Phenyl-1,2-dihydronaphthalene",CGCRJJZWGYGLHB-UHFFFAOYSA-N,"3-Phenyl-1,2-dihydronaphthalene",C1CC(=CC2=CC=CC=C12)C1=CC=CC=C1,"InChI=1S/C16H14/c1-2-6-13(7-3-1)16-11-10-14-8-4-5-9-15(14)12-16/h1-9,12H,10-11H2",C16H14,206.1095505
1205,Benzo[k]fluoranthene,207-08-9,DTXSID0023909,9158,Benzo[k]fluoranthene,HAXBIWFMXWRORI-UHFFFAOYSA-N,Benzo[k]fluoranthene,C1=CC2=CC3=C(C=C2C=C1)C1=C2C3=CC=CC2=CC=C1,InChI=1S/C20H12/c1-2-6-15-12-19-17-10-4-8-13-7-3-9-16(20(13)17)18(19)11-14(15)5-1/h1-12H,C20H12,252.0939004
1206,"2,2',4,4',5,6'-Hexabromodiphenyl ether",207122-15-4,DTXSID3052692,15509898,"2,2',4,4',5,6'-Hexabromodiphenyl ether",VHNPZYZQKWIWOD-UHFFFAOYSA-N,"1,3,5-Tribromo-2-(2,4,5-tribromophenoxy)benzene",BrC1=CC(Br)=C(OC2=CC(Br)=C(Br)C=C2Br)C(Br)=C1,InChI=1S/C12H4Br6O/c13-5-1-9(17)12(10(18)2-5)19-11-4-7(15)6(14)3-8(11)16/h1-4H,C12H4Br6O,637.536243
1207,"2,2',3,4,4',5',6-Heptabromodiphenyl ether",207122-16-5,DTXSID8052693,15509899,"2,2',3,4,4',5',6-Heptabromodiphenyl ether",ILPSCQCLBHQUEM-UHFFFAOYSA-N,"1,2,3,5-Tetrabromo-4-(2,4,5-tribromophenoxy)benzene",BrC1=CC(Br)=C(OC2=C(Br)C=C(Br)C(Br)=C2Br)C=C1Br,InChI=1S/C12H3Br7O/c13-4-1-6(15)9(3-5(4)14)20-12-8(17)2-7(16)10(18)11(12)19/h1-3H,C12H3Br7O,715.446756
1208,3-(Methylthio)thiophene,20731-74-2,DTXSID10334146,519806,3-(Methylthio)thiophene,OTYBVBDWIKXFDO-UHFFFAOYSA-N,3-(Methylsulfanyl)thiophene,CSC1=CSC=C1,"InChI=1S/C5H6S2/c1-6-5-2-3-7-4-5/h2-4H,1H3",C5H6S2,129.9910925
1209,"3,7-Dimethyloctan-3-yl acetate",20780-48-7,DTXSID5041487,89385,"3,7-Dimethyloctan-3-yl acetate",RBKRCARRXLFUGJ-UHFFFAOYSA-N,"3,7-Dimethyloctan-3-yl acetate",CCC(C)(CCCC(C)C)OC(C)=O,"InChI=1S/C12H24O2/c1-6-12(5,14-11(4)13)9-7-8-10(2)3/h10H,6-9H2,1-5H3",C12H24O2,200.17763
1210,"2,3-Difluoromandelic acid",207974-19-4,DTXSID30343275,588650,"2,3-Difluoromandelic acid",LBJOAPZLJUKPRG-UHFFFAOYSA-N,"(2,3-Difluorophenyl)(hydroxy)acetic acid",OC(C(O)=O)C1=C(F)C(F)=CC=C1,"InChI=1S/C8H6F2O3/c9-5-3-1-2-4(6(5)10)7(11)8(12)13/h1-3,7,11H,(H,12,13)",C8H6F2O3,188.0285004
1211,Acenaphthylene,208-96-8,DTXSID3023845,9161,Acenaphthylene,HXGDTGSAIMULJN-UHFFFAOYSA-N,Acenaphthylene,C1=CC2=C3C1=CC=CC3=CC=C2,InChI=1S/C12H8/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-8H,C12H8,152.0626003
1212,Bisphenol E,2081-08-5,DTXSID3047891,608116,Bisphenol E,HCNHNBLSNVSJTJ-UHFFFAOYSA-N,"4,4'-(Ethane-1,1-diyl)diphenol",CC(C1=CC=C(O)C=C1)C1=CC=C(O)C=C1,"InChI=1S/C14H14O2/c1-10(11-2-6-13(15)7-3-11)12-4-8-14(16)9-5-12/h2-10,15-16H,1H3",C14H14O2,214.0993797
1213,valeric anhydride,2082-59-9,DTXSID70870934,74959,valeric anhydride,DUCKXCGALKOSJF-UHFFFAOYSA-N,Pentanoic anhydride,CCCCC(=O)OC(=O)CCCC,"InChI=1S/C10H18O3/c1-3-5-7-9(11)13-10(12)8-6-4-2/h3-8H2,1-2H3",C10H18O3,186.1255944
1214,"Octadecyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate",2082-79-3,DTXSID8027456,16386,"Octadecyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate",SSDSCDGVMJFTEQ-UHFFFAOYSA-N,"Octadecyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoate",CCCCCCCCCCCCCCCCCCOC(=O)CCC1=CC(=C(O)C(=C1)C(C)(C)C)C(C)(C)C,"InChI=1S/C35H62O3/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26-38-32(36)25-24-29-27-30(34(2,3)4)33(37)31(28-29)35(5,6)7/h27-28,37H,8-26H2,1-7H3",C35H62O3,530.4698959
1215,"Butane-1,4-diyl bis(2-methylprop-2-enoate)",2082-81-7,DTXSID4044870,16387,"Butane-1,4-diyl bis(2-methylprop-2-enoate)",XOJWAAUYNWGQAU-UHFFFAOYSA-N,"Butane-1,4-diyl bis(2-methylprop-2-enoate)",CC(=C)C(=O)OCCCCOC(=O)C(C)=C,"InChI=1S/C12H18O4/c1-9(2)11(13)15-7-5-6-8-16-12(14)10(3)4/h1,3,5-8H2,2,4H3",C12H18O4,226.1205091
1216,"1,10b-Dihydro-1-fluoranthenyl (ACI)",208266-23-3,,,"1,10b-Dihydro-1-fluoranthenyl (ACI)",XVWCVIRTTVKBQY-UHFFFAOYSA-N,,C=1C=CC2=C(C1)C3=CC=CC=4C=C[CH]C2C43,"InChI=1S/C16H11/c1-2-8-13-12(7-1)14-9-3-5-11-6-4-10-15(13)16(11)14/h1-10,14H",,
1217,"oxirane, 2-methyl-2-phenyl-",2085-88-3,DTXSID10880779,16398,"oxirane, 2-methyl-2-phenyl-",MRXPNWXSFCODDY-UHFFFAOYSA-N,2-Methyl-2-phenyloxirane,CC1(CO1)C1=CC=CC=C1,"InChI=1S/C9H10O/c1-9(7-10-9)8-5-3-2-4-6-8/h2-6H,7H2,1H3",C9H10O,134.0731649
1218,"4-Hepten-1-ol (7CI, 8CI, 9CI, ACI)",20851-55-2,,80326,"4-Hepten-1-ol (7CI, 8CI, 9CI, ACI)",CUKAXHVLXKIPKF-UHFFFAOYSA-N,hept-4-en-1-ol,OCCCC=CCC,"InChI=1S/C7H14O/c1-2-3-4-5-6-7-8/h3-4,8H,2,5-7H2,1H3",C7H14O,114.104
1219,(15Z)-15-Tetracosenamide (ACI),208650-37-7,,11963502,(15Z)-15-Tetracosenamide (ACI),FXUDPARCGRIVON-KTKRTIGZSA-N,(Z)-tetracos-15-enamide,O=C(N)CCCCCCCCCCCCCC=CCCCCCCCC,"InChI=1S/C24H47NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26/h9-10H,2-8,11-23H2,1H3,(H2,25,26)",C24H47NO,365.366
1220,9-Hexadecenoic acid,2091-29-4,DTXSID5041564,4668,9-Hexadecenoic acid,SECPZKHBENQXJG-UHFFFAOYSA-N,Hexadec-9-enoic acid,CCCCCCC=CCCCCCCCC(O)=O,"InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h7-8H,2-6,9-15H2,1H3,(H,17,18)",C16H30O2,254.2245802
1221,"2,5-Bis(3,7-dimethyl-2,6-octadien-1-ylidene)cyclopentanone (ACI)",209111-21-7,,,"2,5-Bis(3,7-dimethyl-2,6-octadien-1-ylidene)cyclopentanone (ACI)",IWGSKEXMQLBUHE-UHFFFAOYSA-N,,O=C1C(=CC=C(C)CCC=C(C)C)CCC1=CC=C(C)CCC=C(C)C,"InChI=1S/C25H36O/c1-19(2)9-7-11-21(5)13-15-23-17-18-24(25(23)26)16-14-22(6)12-8-10-20(3)4/h9-10,13-16H,7-8,11-12,17-18H2,1-6H3",,
1222,"4,4'-Bis(2-hydroxyhexafluoroisopropyl)diphenyl ether",2093-04-1,DTXSID50175090,137425,"4,4'-Bis(2-hydroxyhexafluoroisopropyl)diphenyl ether",PRBPSTYDUVSNOK-UHFFFAOYSA-N,"2,2'-[Oxydi(4,1-phenylene)]bis(hexafluoropropan-2-ol)",OC(C1=CC=C(OC2=CC=C(C=C2)C(O)(C(F)(F)F)C(F)(F)F)C=C1)(C(F)(F)F)C(F)(F)F,"InChI=1S/C18H10F12O3/c19-15(20,21)13(31,16(22,23)24)9-1-5-11(6-2-9)33-12-7-3-10(4-8-12)14(32,17(25,26)27)18(28,29)30/h1-8,31-32H",C18H10F12O3,502.0438321
1223,"Tricyclo(3.3.1.1'3,7)decane-1-carbonyl chloride",2094-72-6,DTXSID20175108,98915,"Tricyclo(3.3.1.1'3,7)decane-1-carbonyl chloride",MIBQYWIOHFTKHD-UHFFFAOYSA-N,Adamantane-1-carbonyl chloride,[H]C12CC3([H])CC([H])(C1)CC(C2)(C3)C(Cl)=O,"InChI=1S/C11H15ClO/c12-10(13)11-4-7-1-8(5-11)3-9(2-7)6-11/h7-9H,1-6H2",C11H15ClO,198.0811428
1224,1-(2-Isocyanatopropan-2-yl)-3-(prop-1-en-2-yl)benzene,2094-99-7,DTXSID9044871,604152,1-(2-Isocyanatopropan-2-yl)-3-(prop-1-en-2-yl)benzene,ZVEMLYIXBCTVOF-UHFFFAOYSA-N,1-(2-Isocyanatopropan-2-yl)-3-(prop-1-en-2-yl)benzene,CC(=C)C1=CC(=CC=C1)C(C)(C)N=C=O,"InChI=1S/C13H15NO/c1-10(2)11-6-5-7-12(8-11)13(3,4)14-9-15/h5-8H,1H2,2-4H3",C13H15NO,201.1153641
1225,"1-[(3E,5R,6S,15S,16R)-5,15-Dihydroxy-16-methyl-2-oxooxacyclohexadec-3-en-6-yl] butanedioate (ACI)",2095114-73-9,,132967555,"1-[(3E,5R,6S,15S,16R)-5,15-Dihydroxy-16-methyl-2-oxooxacyclohexadec-3-en-6-yl] butanedioate (ACI)",LHCHMGFKQQZRRH-JUDWWFKISA-N,"4-[[(3E,5R,6S,15S,16R)-5,15-dihydroxy-16-methyl-2-oxo-1-oxacyclohexadec-3-en-6-yl]oxy]-4-oxobutanoic acid",O=C1OC(C)C(O)CCCCCCCCC(OC(=O)CCC(=O)O)C(O)C=C1,"InChI=1S/C20H32O8/c1-14-15(21)8-6-4-2-3-5-7-9-17(16(22)10-12-19(25)27-14)28-20(26)13-11-18(23)24/h10,12,14-17,21-22H,2-9,11,13H2,1H3,(H,23,24)",C20H32O8,400.21
1226,Name Not Yet Assigned,2095569-07-4,,137635936,Name Not Yet Assigned,WVTDTCMHXYEUJW-UHZYZNJBSA-N,"7-[4-[[4-[[4-[3-[[(1R,2S,3S,4R,5S)-5-amino-2-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2R,3R,4S,5S,6R)-6-(aminomethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-3-hydroxycyclohexyl]amino]-3-oxopropyl]triazol-1-yl]methyl]phenyl]methyl]piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid",O=C(O)C1=CN(C2=CC(=C(F)C=C2C1=O)N3CCN(CC4=CC=C(C=C4)CN5N=NC(=C5)CCC(=O)NC6CC(N)C(OC7OC(CN)C(O)C(O)C7O)C(O)C6OC8OC(CO)C(O)C(N)C8O)CC3)C9CC9,"InChI=1S/C48H65FN10O15/c49-28-13-26-31(59(25-6-7-25)20-27(37(26)62)46(69)70)15-32(28)57-11-9-56(10-12-57)17-22-1-3-23(4-2-22)18-58-19-24(54-55-58)5-8-35(61)53-30-14-29(51)44(73-48-42(67)41(66)39(64)33(16-50)71-48)43(68)45(30)74-47-40(65)36(52)38(63)34(21-60)72-47/h1-4,13,15,19-20,25,29-30,33-34,36,38-45,47-48,60,63-68H,5-12,14,16-18,21,50-52H2,(H,53,61)(H,69,70)",C48H65FN10O15,1040.46
1227,Name Not Yet Assigned,2097328-16-8,,137633452,Name Not Yet Assigned,XONMUYCOAHLCSW-MDVFKLKISA-N,"(4S)-2-[6-[3-[[3-[[(2S,3R)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-oxopropyl]disulfanyl]propoxycarbonyloxy]-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid",O=C(OC=1C=CC=2N=C(SC2C1)C3=NC(C(=O)O)CS3)OCCCSSCCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N)CC=4C=CC=CC4)CC(C)C)CCCCN)CC5=CNC=6C=CC=CC65)CCCNC(=N)N)CCCCN)CC(C)C)C(C)C)CCCNC(=N)N)C(O)C,"InChI=1S/C83H124N22O17S4/c1-45(2)38-60(74(114)98-59(68(86)108)40-49-20-9-8-10-21-49)99-70(110)56(25-14-16-32-85)96-75(115)62(41-50-43-93-53-23-12-11-22-52(50)53)100-71(111)57(26-17-33-91-81(87)88)94-69(109)55(24-13-15-31-84)95-73(113)61(39-46(3)4)101-76(116)66(47(5)6)105-72(112)58(27-18-34-92-82(89)90)97-77(117)67(48(7)106)104-65(107)30-37-125-124-36-19-35-121-83(120)122-51-28-29-54-64(42-51)126-79(102-54)78-103-63(44-123-78)80(118)119/h8-12,20-23,28-29,42-43,45-48,55-63,66-67,93,106H,13-19,24-27,30-41,44,84-85H2,1-7H3,(H2,86,108)(H,94,109)(H,95,113)(H,96,115)(H,97,117)(H,98,114)(H,99,110)(H,100,111)(H,101,116)(H,104,107)(H,105,112)(H,118,119)(H4,87,88,91)(H4,89,90,92)",C83H124N22O17S4,1828.84
1228,"4-[(6-Deoxy-?-L-mannopyranosyl)oxy]-5,6-dihydro-6-(2-hydroxy-1,3-dimethylbutyl)-3-methyl-2H-pyran-2-one (ACI)",2098503-30-9,,,"4-[(6-Deoxy-?-L-mannopyranosyl)oxy]-5,6-dihydro-6-(2-hydroxy-1,3-dimethylbutyl)-3-methyl-2H-pyran-2-one (ACI)",KOFVWXZEUQGYMD-REOUDLJCSA-N,,O=C1OC(CC(OC2OC(C)C(O)C(O)C2O)=C1C)C(C)C(O)C(C)C,"InChI=1S/C18H30O8/c1-7(2)13(19)8(3)11-6-12(9(4)17(23)25-11)26-18-16(22)15(21)14(20)10(5)24-18/h7-8,10-11,13-16,18-22H,6H2,1-5H3",,
1229,"N-[2-[(1,6-Dihydro-4-methyl-6-oxo-2-pyrimidinyl)amino]ethyl]-N?-[1,1-dimethyl-2-(4-morpholinyl)ethyl]urea (ACI)",2108742-38-5,,137065799,"N-[2-[(1,6-Dihydro-4-methyl-6-oxo-2-pyrimidinyl)amino]ethyl]-N?-[1,1-dimethyl-2-(4-morpholinyl)ethyl]urea (ACI)",MLJVNJAZKZSXDV-UHFFFAOYSA-N,1-(2-methyl-1-morpholin-4-ylpropan-2-yl)-3-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]urea,O=C1N=C(NC(=C1)C)NCCNC(=O)NC(C)(C)CN2CCOCC2,"InChI=1S/C16H28N6O3/c1-12-10-13(23)20-14(19-12)17-4-5-18-15(24)21-16(2,3)11-22-6-8-25-9-7-22/h10H,4-9,11H2,1-3H3,(H2,18,21,24)(H2,17,19,20,23)",C16H28N6O3,352.222
1230,"Hexahydro-1-(2-hydroxypropyl)-2-(2-methylpropyl)-5H-1,4-diazepin-5-one (ACI)",2110383-84-9,,,"Hexahydro-1-(2-hydroxypropyl)-2-(2-methylpropyl)-5H-1,4-diazepin-5-one (ACI)",LDOZLSGGNLZKKY-UHFFFAOYSA-N,,O=C1NCC(N(CC1)CC(O)C)CC(C)C,"InChI=1S/C12H24N2O2/c1-9(2)6-11-7-13-12(16)4-5-14(11)8-10(3)15/h9-11,15H,4-8H2,1-3H3,(H,13,16)",,
1231,Perillaldehyde,2111-75-3,DTXSID6051855,16441,Perillaldehyde,RUMOYJJNUMEFDD-UHFFFAOYSA-N,4-(Prop-1-en-2-yl)cyclohex-1-ene-1-carbaldehyde,CC(=C)C1CCC(C=O)=CC1,"InChI=1S/C10H14O/c1-8(2)10-5-3-9(7-11)4-6-10/h3,7,10H,1,4-6H2,2H3",C10H14O,150.1044651
1232,3-Bromobiphenyl,2113-57-7,DTXSID5024639,16449,3-Bromobiphenyl,USYQKCQEVBFJRP-UHFFFAOYSA-N,"3-Bromo-1,1'-biphenyl",BrC1=CC=CC(=C1)C1=CC=CC=C1,InChI=1S/C12H9Br/c13-12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9H,C12H9Br,231.988763
1233,"1-propanone, 2-bromo-1-phenyl-",2114-00-3,DTXSID10870938,16452,"1-propanone, 2-bromo-1-phenyl-",WPDWOCRJBPXJFM-UHFFFAOYSA-N,2-Bromo-1-phenylpropan-1-one,CC(Br)C(=O)C1=CC=CC=C1,"InChI=1S/C9H9BrO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7H,1H3",C9H9BrO,211.983678
1234,Tonalide,21145-77-7,DTXSID7041544,89440,Tonalide,DNRJTBAOUJJKDY-UHFFFAOYSA-N,"1-(3,5,5,6,8,8-Hexamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethan-1-one",CC1CC(C)(C)C2=C(C=C(C)C(=C2)C(C)=O)C1(C)C,"InChI=1S/C18H26O/c1-11-8-16-15(9-14(11)13(3)19)17(4,5)10-12(2)18(16,6)7/h8-9,12H,10H2,1-7H3",C18H26O,258.1983655
1235,1-Methylethyl 14-methylpentadecanoate (ACI),211486-96-3,,53745103,1-Methylethyl 14-methylpentadecanoate (ACI),CXHAYMQVPFWTFL-UHFFFAOYSA-N,propan-2-yl 14-methylpentadecanoate,O=C(OC(C)C)CCCCCCCCCCCCC(C)C,"InChI=1S/C19H38O2/c1-17(2)15-13-11-9-7-5-6-8-10-12-14-16-19(20)21-18(3)4/h17-18H,5-16H2,1-4H3",C19H38O2,298.287
1236,"1,5,5-Trimethyl-6-acetylmethylcyclohexene",211563-96-1,,579163,"1,5,5-Trimethyl-6-acetylmethylcyclohexene",GVJMMSZWJCSVSQ-UHFFFAOYSA-N,"1-(2,6,6-trimethylcyclohex-2-en-1-yl)propan-2-one",O=C(C)CC1C(=CCCC1(C)C)C,"InChI=1S/C12H20O/c1-9-6-5-7-12(3,4)11(9)8-10(2)13/h6,11H,5,7-8H2,1-4H3",C12H20O,180.151
1237,"1-(3-Fluoropropyl)-?-methyl-1H-1,2,4-triazole-5-acetonitrile (ACI)",2117141-67-8,,,"1-(3-Fluoropropyl)-?-methyl-1H-1,2,4-triazole-5-acetonitrile (ACI)",ZLKFKISPIVTWHQ-UHFFFAOYSA-N,,N#CC(C1=NC=NN1CCCF)C,"InChI=1S/C8H11FN4/c1-7(5-10)8-11-6-12-13(8)4-2-3-9/h6-7H,2-4H2,1H3",,
1238,"2,5-Cyclohexadien-1-ylidene, 3,5-bis(1,1-dimethylethyl)-4-oxo- (9CI)",21205-90-3,,,"2,5-Cyclohexadien-1-ylidene, 3,5-bis(1,1-dimethylethyl)-4-oxo- (9CI)",XLZGNDGZSMKNMC-UHFFFAOYSA-N,,O=C1C(=C[C]C=C1C(C)(C)C)C(C)(C)C,"InChI=1S/C14H20O/c1-13(2,3)10-8-7-9-11(12(10)15)14(4,5)6/h8-9H,1-6H3",,
1239,2-Ethylhexyl 4-(dimethylamino)benzoate,21245-02-3,DTXSID7029320,30541,4-(Dimethylamino)benzoic acid 2-ethylhexyl ester,WYWZRNAHINYAEF-UHFFFAOYSA-N,2-Ethylhexyl 4-(dimethylamino)benzoate,CCCCC(CC)COC(=O)C1=CC=C(C=C1)N(C)C,"InChI=1S/C17H27NO2/c1-5-7-8-14(6-2)13-20-17(19)15-9-11-16(12-10-15)18(3)4/h9-12,14H,5-8,13H2,1-4H3",C17H27NO2,277.2041791
1240,"2,2'-Dipyridyl disulfide",2127-03-9,DTXSID70175517,65093,"2,2'-Dipyridyl disulfide",HAXFWIACAGNFHA-UHFFFAOYSA-N,"2,2'-Disulfanediyldipyridine",S(SC1=CC=CC=N1)C1=CC=CC=N1,InChI=1S/C10H8N2S2/c1-3-7-11-9(5-1)13-14-10-6-2-4-8-12-10/h1-8H,C10H8N2S2,220.0128906
1241,"Methanone, [1,1'-biphenyl]-4-ylphenyl-",2128-93-0,DTXSID4062193,75040,"Methanone, [1,1'-biphenyl]-4-ylphenyl-",LYXOWKPVTCPORE-UHFFFAOYSA-N,"([1,1'-Biphenyl]-4-yl)(phenyl)methanone",O=C(C1=CC=CC=C1)C1=CC=C(C=C1)C1=CC=CC=C1,InChI=1S/C19H14O/c20-19(17-9-5-2-6-10-17)18-13-11-16(12-14-18)15-7-3-1-4-8-15/h1-14H,C19H14O,258.1044651
1242,"5,7-dodecadiene, (e,z)-",21293-04-9,DTXSID70880831,5358327,"5,7-dodecadiene, (e,z)-",ZARLDNIZTZBEDV-WGDLNXRISA-N,"(5E,7E)-Dodeca-5,7-diene",CCCC\C=C\C=C\CCCC,"InChI=1S/C12H22/c1-3-5-7-9-11-12-10-8-6-4-2/h9-12H,3-8H2,1-2H3/b11-9+,12-10+",C12H22,166.1721507
1243,"1,4,5-Trimethylnaphthalene",2131-41-1,DTXSID50175575,16478,"1,4,5-Trimethylnaphthalene",FSAWRQYDMHSDRN-UHFFFAOYSA-N,"1,4,5-Trimethylnaphthalene",CC1=CC=C(C)C2=C(C)C=CC=C12,"InChI=1S/C13H14/c1-9-7-8-11(3)13-10(2)5-4-6-12(9)13/h4-8H,1-3H3",C13H14,170.1095505
1244,"1,4,6-Trimethylnaphthalene",2131-42-2,DTXSID10175576,16479,"1,4,6-Trimethylnaphthalene",VGKRZAKNKJAKDN-UHFFFAOYSA-N,"1,4,6-Trimethylnaphthalene",CC1=CC2=C(C)C=CC(C)=C2C=C1,"InChI=1S/C13H14/c1-9-4-7-12-10(2)5-6-11(3)13(12)8-9/h4-8H,1-3H3",C13H14,170.1095505
1245,"p,p'-Methoxychlor olefin",2132-70-9,DTXSID5022518,75048,"p,p'-Methoxychlor olefin",YCRYSVKEWAWTGI-UHFFFAOYSA-N,"1,1'-(2,2-Dichloroethene-1,1-diyl)bis(4-methoxybenzene)",COC1=CC=C(C=C1)C(=C(Cl)Cl)C1=CC=C(OC)C=C1,"InChI=1S/C16H14Cl2O2/c1-19-13-7-3-11(4-8-13)15(16(17)18)12-5-9-14(20-2)10-6-12/h3-10H,1-2H3",C16H14Cl2O2,308.0370851
1246,"5-Eicosene (8CI, 9CI, ACI)",21400-12-4,,543712,"5-Eicosene (8CI, 9CI, ACI)",QRJSGJWTKHSNMK-UHFFFAOYSA-N,icos-5-ene,C(=CCCCCCCCCCCCCCC)CCCC,"InChI=1S/C20H40/c1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2/h9,11H,3-8,10,12-20H2,1-2H3",C20H40,280.313
1247,"1,1,2,4,4-Pentachlorobuta-1,3-diene",21400-41-9,DTXSID80943961,41650,"1,1,2,4,4-Pentachlorobuta-1,3-diene",WVFBDVFCOCLEFM-UHFFFAOYSA-N,"1,1,2,4,4-Pentachlorobuta-1,3-diene",ClC(Cl)=CC(Cl)=C(Cl)Cl,InChI=1S/C4HCl5/c5-2(4(8)9)1-3(6)7/h1H,C4HCl5,223.8520885
1248,"Ethanone, 1-(2-chlorophenyl)-",2142-68-9,DTXSID1062201,72864,"Ethanone, 1-(2-chlorophenyl)-",ZDOYHCIRUPHUHN-UHFFFAOYSA-N,1-(2-Chlorophenyl)ethan-1-one,CC(=O)C1=C(Cl)C=CC=C1,"InChI=1S/C8H7ClO/c1-6(10)7-4-2-3-5-8(7)9/h2-5H,1H3",C8H7ClO,154.0185425
1249,"Dodecanoic acid, ethenyl ester",2146-71-6,DTXSID7074953,75069,"Dodecanoic acid, ethenyl ester",GLVVKKSPKXTQRB-UHFFFAOYSA-N,Ethenyl dodecanoate,CCCCCCCCCCCC(=O)OC=C,"InChI=1S/C14H26O2/c1-3-5-6-7-8-9-10-11-12-13-14(15)16-4-2/h4H,2-3,5-13H2,1H3",C14H26O2,226.1932801
1250,"2-propanol, 1-(2-propenyloxy)-",21460-36-6,DTXSID40880762,542178,"2-propanol, 1-(2-propenyloxy)-",CJNXVNXBZXMHKG-UHFFFAOYSA-N,1-[(Prop-2-en-1-yl)oxy]propan-2-ol,CC(O)COCC=C,"InChI=1S/C6H12O2/c1-3-4-8-5-6(2)7/h3,6-7H,1,4-5H2,2H3",C6H12O2,116.0837296
1251,Methyl 2-hydroxypropanoate,547-64-8,DTXSID0027197,11040,Methyl 2-hydroxypropanoate,LPEKGGXMPWTOCB-UHFFFAOYSA-N,Methyl 2-hydroxypropanoate,COC(=O)C(C)O,"InChI=1S/C4H8O3/c1-3(5)4(6)7-2/h3,5H,1-2H3",C4H8O3,104.0473441
1252,Lauryl acrylate,2156-97-0,DTXSID7022178,75084,Lauryl acrylate,PBOSTUDLECTMNL-UHFFFAOYSA-N,Dodecyl prop-2-enoate,CCCCCCCCCCCCOC(=O)C=C,"InChI=1S/C15H28O2/c1-3-5-6-7-8-9-10-11-12-13-14-17-15(16)4-2/h4H,2-3,5-14H2,1H3",C15H28O2,240.2089301
1253,Octyl methacrylate,2157-01-9,DTXSID6025806,16542,Octyl methacrylate,NZIDBRBFGPQCRY-UHFFFAOYSA-N,Octyl 2-methylprop-2-enoate,CCCCCCCCOC(=O)C(C)=C,"InChI=1S/C12H22O2/c1-4-5-6-7-8-9-10-14-12(13)11(2)3/h2,4-10H2,1,3H3",C12H22O2,198.1619799
1254,"Silicic acid (H6Si2O7), hexaethyl ester",2157-42-8,DTXSID0062218,626663,"Silicic acid (H6Si2O7), hexaethyl ester",GYTROFMCUJZKNA-UHFFFAOYSA-N,Triethyl triethoxysilyl orthosilicate,CCO[Si](OCC)(OCC)O[Si](OCC)(OCC)OCC,"InChI=1S/C12H30O7Si2/c1-7-13-20(14-8-2,15-9-3)19-21(16-10-4,17-11-5)18-12-6/h7-12H2,1-6H3",C12H30O7Si2,342.1530064
1255,"Bis(2,6-diisopropylphenyl)carbodiimide",2162-74-5,DTXSID5051862,75100,"Bis(2,6-diisopropylphenyl)carbodiimide",XLDBGFGREOMWSL-UHFFFAOYSA-N,"N,N'-Bis[2,6-di(propan-2-yl)phenyl]methanediimine",CC(C)C1=CC=CC(C(C)C)=C1N=C=NC1=C(C=CC=C1C(C)C)C(C)C,"InChI=1S/C25H34N2/c1-16(2)20-11-9-12-21(17(3)4)24(20)26-15-27-25-22(18(5)6)13-10-14-23(25)19(7)8/h9-14,16-19H,1-8H3",C25H34N2,362.2721991
1256,"1-(1,4-Dimethylpentyl) 2-heptadecyl 1,2-benzenedicarboxylate (ACI)",2162957-33-5,,91719575,"1-(1,4-Dimethylpentyl) 2-heptadecyl 1,2-benzenedicarboxylate (ACI)",OBBFUHCAZIFXGP-UHFFFAOYSA-N,"1-O-heptadecyl 2-O-(5-methylhexan-2-yl) benzene-1,2-dicarboxylate",O=C(OCCCCCCCCCCCCCCCCC)C=1C=CC=CC1C(=O)OC(C)CCC(C)C,"InChI=1S/C32H54O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-26-35-31(33)29-22-19-20-23-30(29)32(34)36-28(4)25-24-27(2)3/h19-20,22-23,27-28H,5-18,21,24-26H2,1-4H3",C32H54O4,502.402
1257,Cycluron,2163-69-1,DTXSID8041824,16554,Cycluron,DQZCVNGCTZLGAQ-UHFFFAOYSA-N,"N'-Cyclooctyl-N,N-dimethylurea",CN(C)C(=O)NC1CCCCCCC1,"InChI=1S/C11H22N2O/c1-13(2)11(14)12-10-8-6-4-3-5-7-9-10/h10H,3-9H2,1-2H3,(H,12,14)",C11H22N2O,198.1732133
1258,Aluminum hydroxide,21645-51-2,DTXSID2036405,10176082,Aluminum hydroxide,WNROFYMDJYEPJX-UHFFFAOYSA-K,Aluminium trihydroxide,[OH-].[OH-].[OH-].[Al+3],InChI=1S/Al.3H2O/h;3*1H2/q+3;;;/p-3,AlH3O3,77.9897575
1259,Methyl (5Z)-2-methoxy-5-hexadecenoate (ACI),216532-90-0,,,Methyl (5Z)-2-methoxy-5-hexadecenoate (ACI),CTVWZQNQTIGFBN-YPKPFQOONA-N,,O=C(OC)C(OC)CCC=CCCCCCCCCCC,"InChI=1S/C18H34O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17(20-2)18(19)21-3/h13-14,17H,4-12,15-16H2,1-3H3",,
1260,"(E,Z)-2,4-Nonadienal",21661-99-4,DTXSID801035585,6429282,"(E,Z)-2,4-Nonadienal",ZHHYXNZJDGDGPJ-IGTJQSIKSA-N,,CCCC\C=C/C=C/C=O,"InChI=1S/C9H14O/c1-2-3-4-5-6-7-8-9-10/h5-9H,2-4H2,1H3/b6-5-,8-7+",C9H14O,138.1044651
1261,Bisphenol P,2167-51-3,DTXSID0058693,630355,Bisphenol P,GIXXQTYGFOHYPT-UHFFFAOYSA-N,"4,4'-[1,4-Phenylenedi(propane-2,2-diyl)]diphenol",CC(C)(C1=CC=C(O)C=C1)C1=CC=C(C=C1)C(C)(C)C1=CC=C(O)C=C1,"InChI=1S/C24H26O2/c1-23(2,19-9-13-21(25)14-10-19)17-5-7-18(8-6-17)24(3,4)20-11-15-22(26)16-12-20/h5-16,25-26H,1-4H3",C24H26O2,346.1932801
1262,"4-Methyl-2-pentene-2,3,4-tricarboxylic acid (ACI)",2169783-71-3,,163476942,"4-Methyl-2-pentene-2,3,4-tricarboxylic acid (ACI)",CBGCPUCTMYAQDU-UHFFFAOYSA-N,"1,3-dimethylbut-1-ene-1,2,3-tricarboxylic acid",O=C(O)C(=C(C(=O)O)C(C(=O)O)(C)C)C,"InChI=1S/C9H12O6/c1-4(6(10)11)5(7(12)13)9(2,3)8(14)15/h1-3H3,(H,10,11)(H,12,13)(H,14,15)",C9H12O6,216.063
1263,Triphenylene,217-59-4,DTXSID9059757,9170,Triphenylene,SLGBZMMZGDRARJ-UHFFFAOYSA-N,Triphenylene,C1=CC=C2C(=C1)C1=CC=CC=C1C1=CC=CC=C21,InChI=1S/C18H12/c1-2-8-14-13(7-1)15-9-3-4-11-17(15)18-12-6-5-10-16(14)18/h1-12H,C18H12,228.0939004
1264,2-(2H-Benzotriazol-2-yl)-4-methyl-6-(2-propenyl)phenol,2170-39-0,DTXSID70352806,735573,2-(2H-Benzotriazol-2-yl)-4-methyl-6-(2-propenyl)phenol,YKONWVIRECCMQE-UHFFFAOYSA-N,2-(2H-Benzotriazol-2-yl)-4-methyl-6-(prop-2-en-1-yl)phenol,CC1=CC(CC=C)=C(O)C(=C1)N1N=C2C=CC=CC2=N1,"InChI=1S/C16H15N3O/c1-3-6-12-9-11(2)10-15(16(12)20)19-17-13-7-4-5-8-14(13)18-19/h3-5,7-10,20H,1,6H2,2H3",C16H15N3O,265.1215121
1265,Octabromodibenzo-p-dioxin,2170-45-8,DTXSID70176089,16579,Octabromodibenzo-p-dioxin,XAHTWKGGNHXJRP-UHFFFAOYSA-N,Octabromooxanthrene,BrC1=C(Br)C2=C(OC3=C(O2)C(Br)=C(Br)C(Br)=C3Br)C(Br)=C1Br,InChI=1S/C12Br8O2/c13-1-2(14)6(18)10-9(5(1)17)21-11-7(19)3(15)4(16)8(20)12(11)22-10,C12Br8O2,807.336533
1266,"rel-(1R,4aS,8R,8aR)-Decahydro-8,8a-dimethyl-1-naphthalenol (ACI)",2172314-38-2,,,"rel-(1R,4aS,8R,8aR)-Decahydro-8,8a-dimethyl-1-naphthalenol (ACI)",CCVSBVCHUQDBJP-IHABCUPINA-N,,OC1CCCC2CCCC(C)C12C,"InChI=1S/C12H22O/c1-9-5-3-6-10-7-4-8-11(13)12(9,10)2/h9-11,13H,3-8H2,1-2H3",,
1267,Ledene,21747-46-6,DTXSID60944355,10910653,Ledene,WGTRJVCFDUCKCM-FMKGYKFTSA-N,"(1aR,7R,7aS,7bR)-1,1,4,7-Tetramethyl-1a,2,3,5,6,7,7a,7b-octahydro-1H-cyclopropa[e]azulene",[H][C@]12[C@H]3[C@@H](CCC(C)=C1CC[C@H]2C)C3(C)C,"InChI=1S/C15H24/c1-9-6-8-12-14(15(12,3)4)13-10(2)5-7-11(9)13/h10,12-14H,5-8H2,1-4H3/t10-,12-,13-,14-/m1/s1",C15H24,204.1878008
1268,Phenyl methacrylate,2177-70-0,DTXSID3062233,75121,Phenyl methacrylate,QIWKUEJZZCOPFV-UHFFFAOYSA-N,Phenyl 2-methylprop-2-enoate,CC(=C)C(=O)OC1=CC=CC=C1,"InChI=1S/C10H10O2/c1-8(2)10(11)12-9-6-4-3-5-7-9/h3-7H,1H2,2H3",C10H10O2,162.0680796
1269,Methyl propyl disulfide,2179-60-4,DTXSID8062234,16592,Methyl propyl disulfide,PUCHCUYBORIUSM-UHFFFAOYSA-N,1-(Methyldisulfanyl)propane,CCCSSC,"InChI=1S/C4H10S2/c1-3-4-6-5-2/h3-4H2,1-2H3",C4H10S2,122.0223927
1270,Chrysene,218-01-9,DTXSID0022432,9171,Chrysene,WDECIBYCCFPHNR-UHFFFAOYSA-N,Chrysene,C1=CC=C2C(C=CC3=C2C=CC2=CC=CC=C32)=C1,InChI=1S/C18H12/c1-3-7-15-13(5-1)9-11-18-16-8-4-2-6-14(16)10-12-17(15)18/h1-12H,C18H12,228.0939004
1271,"1,1-Dibromo-2,3,3,4,4,5-hexachloro-2-(2,4-cyclopentadien-1-yl)cyclooctane (ACI)",2180931-30-8,,129845854,"1,1-Dibromo-2,3,3,4,4,5-hexachloro-2-(2,4-cyclopentadien-1-yl)cyclooctane (ACI)",OZQOUGTVRWVFRK-UHFFFAOYSA-N,"1,1-dibromo-2,3,3,4,4,5-hexachloro-2-cyclopenta-2,4-dien-1-ylcyclooctane",ClC1CCCC(Br)(Br)C(Cl)(C2C=CC=C2)C(Cl)(Cl)C1(Cl)Cl,"InChI=1S/C13H12Br2Cl6/c14-10(15)7-3-6-9(16)12(18,19)13(20,21)11(10,17)8-4-1-2-5-8/h1-2,4-5,8-9H,3,6-7H2",C13H12Br2Cl6,535.744
1272,(Ethenyloxy)-cyclohexane,2182-55-0,DTXSID1074339,75129,(Ethenyloxy)-cyclohexane,VGIYPVFBQRUBDD-UHFFFAOYSA-N,(Ethenyloxy)cyclohexane,C=COC1CCCCC1,"InChI=1S/C8H14O/c1-2-9-8-6-4-3-5-7-8/h2,8H,1,3-7H2",C8H14O,126.1044651
1273,"4-[(3,4-Dimethylphenyl)methyl]-2,3,4,5-tetrahydro-N,N-dimethyl-1,4-benzoxazepine-7-propanamide (ACI)",2185170-02-7,,132443160,"4-[(3,4-Dimethylphenyl)methyl]-2,3,4,5-tetrahydro-N,N-dimethyl-1,4-benzoxazepine-7-propanamide (ACI)",OCHYVPSQFQZUET-UHFFFAOYSA-N,"3-[4-[(3,4-dimethylphenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-N,N-dimethylpropanamide",O=C(N(C)C)CCC1=CC=C2OCCN(CC3=CC=C(C(=C3)C)C)CC2=C1,"InChI=1S/C23H30N2O2/c1-17-5-6-20(13-18(17)2)15-25-11-12-27-22-9-7-19(14-21(22)16-25)8-10-23(26)24(3)4/h5-7,9,13-14H,8,10-12,15-16H2,1-4H3",C23H30N2O2,366.231
1274,"Eicosyl 2,2,2-trifluoroacetate (ACI)",2185857-82-1,,14574254,"Eicosyl 2,2,2-trifluoroacetate (ACI)",JELHWUPDJFSSDO-UHFFFAOYSA-N,"icosyl 2,2,2-trifluoroacetate",O=C(OCCCCCCCCCCCCCCCCCCCC)C(F)(F)F,"InChI=1S/C22H41F3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-27-21(26)22(23,24)25/h2-20H2,1H3",C22H41F3O2,394.306
1275,p-(Dimethoxymethyl)anisole,2186-92-7,DTXSID3062239,75140,p-(Dimethoxymethyl)anisole,NNHYAHOTXLASEA-UHFFFAOYSA-N,1-(Dimethoxymethyl)-4-methoxybenzene,COC(OC)C1=CC=C(OC)C=C1,"InChI=1S/C10H14O3/c1-11-9-6-4-8(5-7-9)10(12-2)13-3/h4-7,10H,1-3H3",C10H14O3,182.0942943
1276,"Benzene, octyl-",2189-60-8,DTXSID2062240,16607,"Benzene, octyl-",CDKDZKXSXLNROY-UHFFFAOYSA-N,Octylbenzene,CCCCCCCCC1=CC=CC=C1,"InChI=1S/C14H22/c1-2-3-4-5-6-8-11-14-12-9-7-10-13-14/h7,9-10,12-13H,2-6,8,11H2,1H3",C14H22,190.1721507
1277,"Benzene, 1-methyl-3-[(4-methylphenyl)methyl]-",21895-16-9,DTXSID90345194,602495,"Benzene, 1-methyl-3-[(4-methylphenyl)methyl]-",DEGFPRMMRHFIBG-UHFFFAOYSA-N,1-Methyl-3-[(4-methylphenyl)methyl]benzene,CC1=CC=C(CC2=CC=CC(C)=C2)C=C1,"InChI=1S/C15H16/c1-12-6-8-14(9-7-12)11-15-5-3-4-13(2)10-15/h3-10H,11H2,1-2H3",C15H16,196.1252005
1278,"[4-Hydroxy-4-(methoxymethyl)-1-piperidinyl][6-methyl-1-(1-methylpropyl)-1H-pyrazolo[3,4-b]pyridin-4-yl]methanone (ACI)",2193832-59-4,,,"[4-Hydroxy-4-(methoxymethyl)-1-piperidinyl][6-methyl-1-(1-methylpropyl)-1H-pyrazolo[3,4-b]pyridin-4-yl]methanone (ACI)",DROWUIRXUAVSPL-UHFFFAOYSA-N,,O=C(C=1C=C(N=C2C1C=NN2C(C)CC)C)N3CCC(O)(COC)CC3,"InChI=1S/C19H28N4O3/c1-5-14(3)23-17-16(11-20-23)15(10-13(2)21-17)18(24)22-8-6-19(25,7-9-22)12-26-4/h10-11,14,25H,5-9,12H2,1-4H3",,
1279,"(3Z,6Z)-Nona-3,6-dienal",21944-83-2,DTXSID10904489,5352808,"(3Z,6Z)-Nona-3,6-dienal",FIDBXHOCOXRPRO-CWWKMNTPSA-N,"(3Z,6Z)-Nona-3,6-dienal",CC\C=C/C\C=C/CC=O,"InChI=1S/C9H14O/c1-2-3-4-5-6-7-8-9-10/h3-4,6-7,9H,2,5,8H2,1H3/b4-3-,7-6-",C9H14O,138.1044651
1280,"1,3-Isobenzofurandione, 4,5,6,7-tetrabromo-, reaction products with 2-ethyl-1-hexanol",219632-53-8,,,"1,3-Isobenzofurandione, 4,5,6,7-tetrabromo-, reaction products with 2-ethyl-1-hexanol",,,,,,
1281,"1,12-Tridecadiene",21964-48-7,DTXSID20176372,30874,"1,12-Tridecadiene",BPHFKBMQSYYNGQ-UHFFFAOYSA-N,"Trideca-1,12-diene",C=CCCCCCCCCCC=C,"InChI=1S/C13H24/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-4H,1-2,5-13H2",C13H24,180.1878008
1282,"N-[2-(2,2-Dimethyl-4-morpholinyl)ethyl]-?-hydroxy-N,1-dimethyl-1H-pyrazole-4-propanamide (ACI)",2197015-31-7,,,"N-[2-(2,2-Dimethyl-4-morpholinyl)ethyl]-?-hydroxy-N,1-dimethyl-1H-pyrazole-4-propanamide (ACI)",IRLPVCBIAMWLIY-UHFFFAOYSA-N,,O=C(N(C)CCN1CCOC(C)(C)C1)C(O)CC=2C=NN(C2)C,"InChI=1S/C16H28N4O3/c1-16(2)12-20(7-8-23-16)6-5-18(3)15(22)14(21)9-13-10-17-19(4)11-13/h10-11,14,21H,5-9,12H2,1-4H3",,
1283,"4-[[(5,6-Dihydro-4H-cyclopentathiazol-2-yl)methyl]amino]-?-methylbenzenepropanoic acid (ACI)",2198242-48-5,,,"4-[[(5,6-Dihydro-4H-cyclopentathiazol-2-yl)methyl]amino]-?-methylbenzenepropanoic acid (ACI)",FXVYDIPWYIJPGO-UHFFFAOYSA-N,,O=C(O)CC(C1=CC=C(C=C1)NCC2=NC3=C(S2)CCC3)C,"InChI=1S/C17H20N2O2S/c1-11(9-17(20)21)12-5-7-13(8-6-12)18-10-16-19-14-3-2-4-15(14)22-16/h5-8,11,18H,2-4,9-10H2,1H3,(H,20,21)",,
1284,2-Ethylpentanal,22092-54-2,DTXSID30944726,90727,2-Ethylpentanal,OZGRFPZYTKHWMZ-UHFFFAOYSA-N,2-Ethylpentanal,CCCC(CC)C=O,"InChI=1S/C7H14O/c1-3-5-7(4-2)6-8/h6-7H,3-5H2,1-2H3",C7H14O,114.1044651
1285,2-Nonen-1-ol,22104-79-6,DTXSID9066758,61896,2-Nonen-1-ol,NSSALFVIQPAIQK-UHFFFAOYSA-N,Non-2-en-1-ol,CCCCCCC=CCO,"InChI=1S/C9H18O/c1-2-3-4-5-6-7-8-9-10/h7-8,10H,2-6,9H2,1H3",C9H18O,142.1357652
1286,"5,8,11-Heptadecatrien-1-ol (8CI, 9CI, ACI)",22117-09-5,DTXSID701354576,30943,"5,8,11-Heptadecatrien-1-ol",LFDJMNOXMZERKZ-UHFFFAOYSA-N,,CCCCCC=CCC=CCC=CCCCCO,"InChI=1S/C17H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18/h6-7,9-10,12-13,18H,2-5,8,11,14-17H2,1H3",C17H30O,250.2296656
1287,"2,4-Dimethylheptane",2213-23-2,DTXSID10862873,16656,"2,4-Dimethylheptane",AUKVIBNBLXQNIZ-UHFFFAOYSA-N,"2,4-Dimethylheptane",CCCC(C)CC(C)C,"InChI=1S/C9H20/c1-5-6-9(4)7-8(2)3/h8-9H,5-7H2,1-4H3",C9H20,128.1565006
1288,"rel-1-[(11R,12R,13R)-12,13-Dihydroxy-6-(1H-imidazol-5-ylmethyl)-11-(3-methylbutoxy)-1-oxa-6,9-diazacyclotetradec-9-yl]ethanone (ACI)",2215631-24-4,,,"rel-1-[(11R,12R,13R)-12,13-Dihydroxy-6-(1H-imidazol-5-ylmethyl)-11-(3-methylbutoxy)-1-oxa-6,9-diazacyclotetradec-9-yl]ethanone (ACI)",RVXYTKWLVLVDGG-GSJMQOCFNA-N,,O=C(N1CCN(CC2=CN=CN2)CCCCOCC(O)C(O)C(OCCC(C)C)C1)C,"InChI=1S/C22H40N4O5/c1-17(2)6-11-31-21-14-26(18(3)27)9-8-25(13-19-12-23-16-24-19)7-4-5-10-30-15-20(28)22(21)29/h12,16-17,20-22,28-29H,4-11,13-15H2,1-3H3,(H,23,24)",,
1289,3-Methyloctane,2216-33-3,DTXSID30862875,16664,3-Methyloctane,SEEOMASXHIJCDV-UHFFFAOYSA-N,3-Methyloctane,CCCCCC(C)CC,"InChI=1S/C9H20/c1-4-6-7-8-9(3)5-2/h9H,4-8H2,1-3H3",C9H20,128.1565006
1290,4-Methyloctane,2216-34-4,DTXSID90862876,16665,4-Methyloctane,DOGIHOCMZJUJNR-UHFFFAOYSA-N,4-Methyloctane,CCCCC(C)CCC,"InChI=1S/C9H20/c1-4-6-8-9(3)7-5-2/h9H,4-8H2,1-3H3",C9H20,128.1565006
1291,"(1R,2S,5R)-(-)-Menthol",2216-51-5,DTXSID1022180,16666,"(1R,2S,5R)-(-)-Menthol",NOOLISFMXDJSKH-KXUCPTDWSA-N,"(1R,2S,5R)-5-Methyl-2-(propan-2-yl)cyclohexan-1-ol",CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O,"InChI=1S/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3/t8-,9+,10-/m1/s1",C10H20O,156.1514153
1292,Undecan-3-one,2216-87-7,DTXSID20176695,75189,Undecan-3-one,YNMZZHPSYMOGCI-UHFFFAOYSA-N,Undecan-3-one,CCCCCCCCC(=O)CC,"InChI=1S/C11H22O/c1-3-5-6-7-8-9-10-11(12)4-2/h3-10H2,1-2H3",C11H22O,170.1670653
1293,"rel-1-[(7R,8R,12R,13R,14R)-10-Acetyl-13,14-dihydroxy-12-methoxy-7-(3-methoxyphenyl)-8-(1-methylethyl)-1-oxa-6,10-diazacyclopentadec-6-yl]-2-[4-[(3-methoxyphenyl)methyl]-1-piperazinyl]ethanone (ACI)",2216366-76-4,,,"rel-1-[(7R,8R,12R,13R,14R)-10-Acetyl-13,14-dihydroxy-12-methoxy-7-(3-methoxyphenyl)-8-(1-methylethyl)-1-oxa-6,10-diazacyclopentadec-6-yl]-2-[4-[(3-methoxyphenyl)methyl]-1-piperazinyl]ethanone (ACI)",RFWWSMIQSDYFEB-UNDUCMRHNA-N,,O=C(N1CC(OC)C(O)C(O)COCCCCN(C(=O)CN2CCN(CC=3C=CC=C(OC)C3)CC2)C(C=4C=CC=C(OC)C4)C(C1)C(C)C)C,"InChI=1S/C39H60N4O8/c1-28(2)34-24-42(29(3)44)25-36(50-6)39(47)35(45)27-51-20-8-7-15-43(38(34)31-12-10-14-33(22-31)49-5)37(46)26-41-18-16-40(17-19-41)23-30-11-9-13-32(21-30)48-4/h9-14,21-22,28,34-36,38-39,45,47H,7-8,15-20,23-27H2,1-6H3",,
1294,"1-[(2E)-4-[[(1aR,1bS,2R,4bS,7aR,8aR,9S,9aS,10aR,10bS,10cS,11bS,12S)-1a,1b,2,3,6,7,8,8a,9,9a,10,10a,10b,10c,11,11b-Hexadecahydro-2,9-dihydroxy-12-(methoxycarbonyl)-1b,10b,12-trimethyl-7-methylene-3,6-dioxo-1H-4,7a-ethanocyclopropa[4,5]cyclopropa[4?,5?]cyclopent[1?,2?:7,8]acephenanthryleno[10a,10-b]furan-9-yl]methoxy]-3-methyl-4-oxo-2-buten-1-yl] 4-methyl butanedioate (ACI)",2217627-73-9,,,"1-[(2E)-4-[[(1aR,1bS,2R,4bS,7aR,8aR,9S,9aS,10aR,10bS,10cS,11bS,12S)-1a,1b,2,3,6,7,8,8a,9,9a,10,10a,10b,10c,11,11b-Hexadecahydro-2,9-dihydroxy-12-(methoxycarbonyl)-1b,10b,12-trimethyl-7-methylene-3,6-dioxo-1H-4,7a-ethanocyclopropa[4,5]cyclopropa[4?,5?]cyclopent[1?,2?:7,8]acephenanthryleno[10a,10-b]furan-9-yl]methoxy]-3-methyl-4-oxo-2-buten-1-yl] 4-methyl butanedioate (ACI)",PRMPSOSUHRUOCL-MXEBWXEOSA-N,,O=C(OCC1(O)C2CC2C3(C)C4CC5=C6C7=C(C(=O)C(O)C6(C)C8CC58)C(C(=O)OC)(C)C9(C(=C)C(=O)OC749)CC13)C(=CCOC(=O)CCC(=O)OC)C,"InChI=1S/C41H46O13/c1-17(10-11-52-27(43)9-8-26(42)50-6)33(46)53-16-39(49)23-14-22(23)36(3)24-13-20-19-12-21(19)37(4)28(20)29-30(31(44)32(37)45)38(5,35(48)51-7)40(15-25(36)39)18(2)34(47)54-41(24,29)40/h10,19,21-25,32,45,49H,2,8-9,11-16H2,1,3-7H3",,
1295,4-tert-Octyl-o-cresol (kent to verify),2219-84-3,DTXSID9062273,75206,4-tert-Octyl-o-cresol (kent to verify),DYKCNMUCTREDMF-UHFFFAOYSA-N,"2-Methyl-4-(2,4,4-trimethylpentan-2-yl)phenol",CC1=C(O)C=CC(=C1)C(C)(C)CC(C)(C)C,"InChI=1S/C15H24O/c1-11-9-12(7-8-13(11)16)15(5,6)10-14(2,3)4/h7-9,16H,10H2,1-6H3",C15H24O,220.1827154
1296,"4,4'-(1,2-Ethanediylbis(oxycarbonyl))dibenzoic acid",2225-05-0,DTXSID901024365,19046907,"4,4'-(1,2-Ethanediylbis(oxycarbonyl))dibenzoic acid",WFBOYZZQPYDMKX-UHFFFAOYSA-N,,OC(=O)C1=CC=C(C=C1)C(=O)OCCOC(=O)C1=CC=C(C=C1)C(O)=O,"InChI=1S/C18H14O8/c19-15(20)11-1-5-13(6-2-11)17(23)25-9-10-26-18(24)14-7-3-12(4-8-14)16(21)22/h1-8H,9-10H2,(H,19,20)(H,21,22)",C18H14O8,358.0688674
1297,"cyclohexene, 4-(1,1-dimethylethyl)-",2228-98-0,DTXSID40862881,16688,"cyclohexene, 4-(1,1-dimethylethyl)-",PJTMQLHFQYFBBB-UHFFFAOYSA-N,4-tert-Butylcyclohex-1-ene,CC(C)(C)C1CCC=CC1,"InChI=1S/C10H18/c1-10(2,3)9-7-5-4-6-8-9/h4-5,9H,6-8H2,1-3H3",C10H18,138.1408506
1298,"Phosphonic acid, phenyl-, O,O-dimethyl ester",2240-41-7,DTXSID20176933,75234,"Phosphonic acid, phenyl-, O,O-dimethyl ester",OXDOANYFRLHSML-UHFFFAOYSA-N,Dimethyl phenylphosphonate,COP(=O)(OC)C1=CC=CC=C1,"InChI=1S/C8H11O3P/c1-10-12(9,11-2)8-6-4-3-5-7-8/h3-7H,1-2H3",C8H11O3P,186.0445812
1299,1-Nonyl 4-[(tetrahydro-2-furanyl)methyl] butanedioate (ACI),2242583-67-9,,91695840,1-Nonyl 4-[(tetrahydro-2-furanyl)methyl] butanedioate (ACI),VKROJBAVLKFAGN-UHFFFAOYSA-N,1-O-nonyl 4-O-(oxolan-2-ylmethyl) butanedioate,O=C(OCCCCCCCCC)CCC(=O)OCC1OCCC1,"InChI=1S/C18H32O5/c1-2-3-4-5-6-7-8-13-22-17(19)11-12-18(20)23-15-16-10-9-14-21-16/h16H,2-15H2,1H3",C18H32O5,328.225
1300,Pentamethylbenzoic acid,2243-32-5,DTXSID20176953,75236,Pentamethylbenzoic acid,MNLKGWIYXCKWBU-UHFFFAOYSA-N,Pentamethylbenzoic acid,CC1=C(C)C(C)=C(C(O)=O)C(C)=C1C,"InChI=1S/C12H16O2/c1-6-7(2)9(4)11(12(13)14)10(5)8(6)3/h1-5H3,(H,13,14)",C12H16O2,192.1150298
1301,"Carbonic acid, eicosyl vinyl ester",2243791-78-6,DTXSID501017035,91693137,"Carbonic acid, eicosyl vinyl ester",ATKGMLUBBPOBFK-UHFFFAOYSA-N,Ethenyl icosyl carbonate,CCCCCCCCCCCCCCCCCCCCOC(=O)OC=C,"InChI=1S/C23H44O3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-26-23(24)25-4-2/h4H,2-3,5-22H2,1H3",C23H44O3,368.3290453
1302,Undecanenitrile,2244-07-7,DTXSID3062289,16722,Undecanenitrile,SZKKNEOUHLFYNA-UHFFFAOYSA-N,Undecanenitrile,CCCCCCCCCCC#N,"InChI=1S/C11H21N/c1-2-3-4-5-6-7-8-9-10-11-12/h2-10H2,1H3",C11H21N,167.1673997
1303,d-Carvone,2244-16-8,DTXSID8020256,16724,d-Carvone,ULDHMXUKGWMISQ-VIFPVBQESA-N,(5S)-2-Methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-one,CC(=C)[C@H]1CC=C(C)C(=O)C1,"InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9H,1,5-6H2,2-3H3/t9-/m0/s1",C10H14O,150.1044651
1304,Dodecyl 10-undecynoate (ACI),2244623-57-0,,91692432,Dodecyl 10-undecynoate (ACI),CPUMHCZZUYHHHY-UHFFFAOYSA-N,dodecyl undec-10-ynoate,O=C(OCCCCCCCCCCCC)CCCCCCCCC#C,"InChI=1S/C23H42O2/c1-3-5-7-9-11-13-14-16-18-20-22-25-23(24)21-19-17-15-12-10-8-6-4-2/h2H,3,5-22H2,1H3",C23H42O2,350.318
1305,"1,6,7-Trimethylnaphthalene",2245-38-7,DTXSID7062291,16732,"1,6,7-Trimethylnaphthalene",JBXULKRNHAQMAS-UHFFFAOYSA-N,"1,6,7-Trimethylnaphthalene",CC1=CC=CC2=CC(C)=C(C)C=C12,"InChI=1S/C13H14/c1-9-5-4-6-12-7-10(2)11(3)8-13(9)12/h4-8H,1-3H3",C13H14,170.1095505
1306,"1,2-Bis(1,5-dimethylhexyl) 1,2-benzenedicarboxylate (ACI)",2245140-74-1,,91720424,"1,2-Bis(1,5-dimethylhexyl) 1,2-benzenedicarboxylate (ACI)",ASUMBDPCWUXZFX-UHFFFAOYSA-N,"bis(6-methylheptan-2-yl) benzene-1,2-dicarboxylate",O=C(OC(C)CCCC(C)C)C=1C=CC=CC1C(=O)OC(C)CCCC(C)C,"InChI=1S/C24H38O4/c1-17(2)11-9-13-19(5)27-23(25)21-15-7-8-16-22(21)24(26)28-20(6)14-10-12-18(3)4/h7-8,15-20H,9-14H2,1-6H3",C24H38O4,390.277
1307,"4-Methyl-3,5-decanedione (ACI)",2249835-53-6,,91701129,"4-Methyl-3,5-decanedione (ACI)",WGDUBMMSRQCZOV-UHFFFAOYSA-N,"4-methyldecane-3,5-dione",O=C(CC)C(C(=O)CCCCC)C,"InChI=1S/C11H20O2/c1-4-6-7-8-11(13)9(3)10(12)5-2/h9H,4-8H2,1-3H3",C11H20O2,184.146
1308,"anthracene, 9,10-dihydro-9,10-dimethyl-",22566-43-4,DTXSID80880802,606352,"anthracene, 9,10-dihydro-9,10-dimethyl-",XUVAABLZZNALPU-UHFFFAOYSA-N,"9,10-Dimethyl-9,10-dihydroanthracene",CC1C2=CC=CC=C2C(C)C2=CC=CC=C12,"InChI=1S/C16H16/c1-11-13-7-3-5-9-15(13)12(2)16-10-6-4-8-14(11)16/h3-12H,1-2H3",C16H16,208.1252005
1309,p-Tert-butylpivalophenone,22583-66-0,DTXSID40177109,140939,p-Tert-butylpivalophenone,ZISXBXYWRHTLEN-UHFFFAOYSA-N,"1-(4-tert-Butylphenyl)-2,2-dimethylpropan-1-one",CC(C)(C)C(=O)C1=CC=C(C=C1)C(C)(C)C,"InChI=1S/C15H22O/c1-14(2,3)12-9-7-11(8-10-12)13(16)15(4,5)6/h7-10H,1-6H3",C15H22O,218.1670653
1310,2-Methylene-5?-cholestan-3?-ol,22599-96-8,,22213932,2-Methylene-5?-cholestan-3?-ol,ABRWCGWMRMPLID-HMUOIZGVSA-N,"(3R,5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2-methylidene-1,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol",OC1C(=C)CC2(C)C(CCC3C4CCC(C(C)CCCC(C)C)C4(C)CCC32)C1,"InChI=1S/C28H48O/c1-18(2)8-7-9-19(3)23-12-13-24-22-11-10-21-16-26(29)20(4)17-28(21,6)25(22)14-15-27(23,24)5/h18-19,21-26,29H,4,7-17H2,1-3,5-6H3",C28H48O,400.371
1311,"2,5-Dimethyl-3,4-hexanediol",22607-11-0,DTXSID50338966,552199,"2,5-Dimethyl-3,4-hexanediol",UEGKGPFVYRPVCC-UHFFFAOYSA-N,"2,5-Dimethylhexane-3,4-diol",CC(C)C(O)C(O)C(C)C,"InChI=1S/C8H18O2/c1-5(2)7(9)8(10)6(3)4/h5-10H,1-4H3",C8H18O2,146.1306798
1312,"{2-[(2,5-Dioxopyrrolidin-1-yl)oxy]-2-oxoethyl}tris(2,4,6-trimethoxyphenyl)phosphanium bromide",226409-58-1,DTXSID00583500,16211859,"{2-[(2,5-Dioxopyrrolidin-1-yl)oxy]-2-oxoethyl}tris(2,4,6-trimethoxyphenyl)phosphanium bromide",YKMSQZIYVKTUHI-UHFFFAOYSA-M,"{2-[(2,5-Dioxopyrrolidin-1-yl)oxy]-2-oxoethyl}tris(2,4,6-trimethoxyphenyl)phosphanium bromide",[Br-].COC1=CC(OC)=C(C(OC)=C1)[P+](CC(=O)ON1C(=O)CCC1=O)(C1=C(OC)C=C(OC)C=C1OC)C1=C(OC)C=C(OC)C=C1OC,"InChI=1S/C33H39NO13P.BrH/c1-38-19-12-22(41-4)31(23(13-19)42-5)48(18-30(37)47-34-28(35)10-11-29(34)36,32-24(43-6)14-20(39-2)15-25(32)44-7)33-26(45-8)16-21(40-3)17-27(33)46-9;/h12-17H,10-11,18H2,1-9H3;1H/q+1;/p-1",C33H39BrNO13P,767.13424
1313,(E)-Hexadec-2-enal,22644-96-8,DTXSID801015907,5280541,(E)-Hexadec-2-enal,KLJFYXOVGVXZKT-CCEZHUSRSA-N,(2E)-Hexadec-2-enal,CCCCCCCCCCCCC\C=C\C=O,"InChI=1S/C16H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h14-16H,2-13H2,1H3/b15-14+",C16H30O,238.2296656
1314,2-Methyldodecan-1-ol,22663-61-2,DTXSID50873307,42265,2-Methyldodecan-1-ol,SCHAAFQMJJWGJM-UHFFFAOYSA-N,2-Methyldodecan-1-ol,CCCCCCCCCCC(C)CO,"InChI=1S/C13H28O/c1-3-4-5-6-7-8-9-10-11-13(2)12-14/h13-14H,3-12H2,1-2H3",C13H28O,200.2140155
1315,"1,3-Dichloro-2-fluorobenzene",2268-05-5,DTXSID50177211,137520,"1,3-Dichloro-2-fluorobenzene",JORVCRLRRRRLFI-UHFFFAOYSA-N,"1,3-Dichloro-2-fluorobenzene",FC1=C(Cl)C=CC=C1Cl,InChI=1S/C6H3Cl2F/c7-4-2-1-3-5(8)6(4)9/h1-3H,C6H3Cl2F,163.9595837
1316,3-Isocyanato-2-methylaniline,22683-71-2,DTXSID90945350,185506,3-Isocyanato-2-methylaniline,RCSTZSKOKIKWHC-UHFFFAOYSA-N,3-Isocyanato-2-methylaniline,CC1=C(N)C=CC=C1N=C=O,"InChI=1S/C8H8N2O/c1-6-7(9)3-2-4-8(6)10-5-11/h2-4H,9H2,1H3",C8H8N2O,148.0636629
1317,Octacosanal,22725-64-0,DTXSID40177260,3084376,Octacosanal,LVXORIXZNUNHGQ-UHFFFAOYSA-N,Octacosanal,CCCCCCCCCCCCCCCCCCCCCCCCCCCC=O,"InChI=1S/C28H56O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29/h28H,2-27H2,1H3",C28H56O,408.4331164
1318,"6-Butyl-1,4-cycloheptadiene",22735-58-6,DTXSID601016216,556470,"6-Butyl-1,4-cycloheptadiene",IRKYSUMPMNRVDS-UHFFFAOYSA-N,"6-Butylcyclohepta-1,4-diene",CCCCC1CC=CCC=C1,"InChI=1S/C11H18/c1-2-3-8-11-9-6-4-5-7-10-11/h4,6-7,10-11H,2-3,5,8-9H2,1H3",C11H18,150.1408506
1319,Ethylene acrylate,2274-11-5,DTXSID9044615,75282,Ethylene acrylate,KUDUQBURMYMBIJ-UHFFFAOYSA-N,"Ethane-1,2-diyl diprop-2-enoate",C=CC(=O)OCCOC(=O)C=C,"InChI=1S/C8H10O4/c1-3-7(9)11-5-6-12-8(10)4-2/h3-4H,1-2,5-6H2",C8H10O4,170.0579088
1320,"4-nonenal, (e)-",2277-16-9,DTXSID90880833,5283337,"4-nonenal, (e)-",QPULDJYQYDGZEI-AATRIKPKSA-N,(4E)-Non-4-enal,CCCC\C=C\CCC=O,"InChI=1S/C9H16O/c1-2-3-4-5-6-7-8-9-10/h5-6,9H,2-4,7-8H2,1H3/b6-5+",C9H16O,140.1201151
1321,(E)-6-Nonenal,2277-20-5,DTXSID701317588,5283338,(E)-6-Nonenal,RTNPCOBSXBGDMO-ONEGZZNKSA-N,(6E)-Non-6-enal,CC\C=C\CCCCC=O,"InChI=1S/C9H16O/c1-2-3-4-5-6-7-8-9-10/h3-4,9H,2,5-8H2,1H3/b4-3+",C9H16O,140.1201151
1322,Phenanthridine,229-87-8,DTXSID3074288,9189,Phenanthridine,RDOWQLZANAYVLL-UHFFFAOYSA-N,Phenanthridine,C1=CC=C2C(=C1)C=NC1=CC=CC=C21,InChI=1S/C13H9N/c1-2-6-11-10(5-1)9-14-13-8-4-3-7-12(11)13/h1-9H,C13H9N,179.0734993
1323,"1,4-Di-isopropylcyclohexane",22907-72-8,DTXSID70177450,140972,"1,4-Di-isopropylcyclohexane",GMUJGUXGVJZHSK-UHFFFAOYSA-N,"1,4-Di(propan-2-yl)cyclohexane",CC(C)C1CCC(CC1)C(C)C,"InChI=1S/C12H24/c1-9(2)11-5-7-12(8-6-11)10(3)4/h9-12H,5-8H2,1-4H3",C12H24,168.1878008
1324,Congressane,2292-79-7,DTXSID60177464,123154,Congressane,ZICQBHNGXDOVJF-UHFFFAOYSA-N,"Pentacyclo[7.3.1.1~4,12~.0~2,7~.0~6,11~]tetradecane",[H]C12CC3([H])C4([H])CC5([H])CC3([H])C([H])(C1)C([H])(C5)C4([H])C2,"InChI=1S/C14H20/c1-7-2-12-10-4-8-5-11(9(1)10)13(3-7)14(12)6-8/h7-14H,1-6H2",C14H20,188.1565006
1325,"1,3,5-Trichloro-2-methoxy-4,6-dimethylbenzene (ACI)",22921-84-2,,617275,"1,3,5-Trichloro-2-methoxy-4,6-dimethylbenzene (ACI)",DMZXKTABWAXCIT-UHFFFAOYSA-N,"1,3,5-trichloro-2-methoxy-4,6-dimethylbenzene",ClC=1C(OC)=C(Cl)C(=C(Cl)C1C)C,InChI=1S/C9H9Cl3O/c1-4-6(10)5(2)8(12)9(13-3)7(4)11/h1-3H3,C9H9Cl3O,237.972
1327,9-Ethyl-9H-fluorene,2294-82-8,DTXSID10872977,16801,9-Ethyl-9H-fluorene,QBBCCEYJCKGWIK-UHFFFAOYSA-N,9-Ethyl-9H-fluorene,CCC1C2=CC=CC=C2C2=CC=CC=C12,"InChI=1S/C15H14/c1-2-11-12-7-3-5-9-14(12)15-10-6-4-8-13(11)15/h3-11H,2H2,1H3",C15H14,194.1095505
1328,"Pentanamide, 5-cyano-",2304-58-7,DTXSID8074730,11768576,"Pentanamide, 5-cyano-",XZUDGZXKOFPLBC-UHFFFAOYSA-N,5-Cyanopentanamide,NC(=O)CCCCC#N,"InChI=1S/C6H10N2O/c7-5-3-1-2-4-6(8)9/h1-4H2,(H2,8,9)",C6H10N2O,126.079313
1329,gamma-Dodecalactone,2305-05-7,DTXSID7047190,16821,gamma-Dodecalactone,WGPCZPLRVAWXPW-UHFFFAOYSA-N,5-Octyloxolan-2-one,CCCCCCCCC1CCC(=O)O1,"InChI=1S/C12H22O2/c1-2-3-4-5-6-7-8-11-9-10-12(13)14-11/h11H,2-10H2,1H3",C12H22O2,198.1619799
1330,"Hexanoic acid, 3-hydroxy-, ethyl ester",2305-25-1,DTXSID10862898,61293,"Hexanoic acid, 3-hydroxy-, ethyl ester",LYRIITRHDCNUHV-UHFFFAOYSA-N,Ethyl 3-hydroxyhexanoate,CCCC(O)CC(=O)OCC,"InChI=1S/C8H16O3/c1-3-5-7(9)6-8(10)11-4-2/h7,9H,3-6H2,1-2H3",C8H16O3,160.1099444
1331,"1,6,10-Dodecatrien-3-ol, 3,7,11-trimethyl-, 3-acetate",2306-78-7,DTXSID70862899,98043,"1,6,10-Dodecatrien-3-ol, 3,7,11-trimethyl-, 3-acetate",PRNJXUQTUSFYLV-UHFFFAOYSA-N,"3,7,11-Trimethyldodeca-1,6,10-trien-3-yl acetate",CC(C)=CCCC(C)=CCCC(C)(OC(C)=O)C=C,"InChI=1S/C17H28O2/c1-7-17(6,19-16(5)18)13-9-12-15(4)11-8-10-14(2)3/h7,10,12H,1,8-9,11,13H2,2-6H3",C17H28O2,264.2089301
1332,Isopropyl hexanoate,2311-46-8,DTXSID90177674,16832,Isopropyl hexanoate,JSHDAORXSNJOBA-UHFFFAOYSA-N,Propan-2-yl hexanoate,CCCCCC(=O)OC(C)C,"InChI=1S/C9H18O2/c1-4-5-6-7-9(10)11-8(2)3/h8H,4-7H2,1-3H3",C9H18O2,158.1306798
1333,"2,3-Dimethyl-2-(propan-2-yl)butanoic acid",23119-04-2,DTXSID10289223,246588,"2,3-Dimethyl-2-(propan-2-yl)butanoic acid",OWEMTCOXFULTNW-UHFFFAOYSA-N,"2,3-Dimethyl-2-(propan-2-yl)butanoic acid",CC(C)C(C)(C(C)C)C(O)=O,"InChI=1S/C9H18O2/c1-6(2)9(5,7(3)4)8(10)11/h6-7H,1-5H3,(H,10,11)",C9H18O2,158.1306798
1334,Antioxidant 1098,23128-74-7,DTXSID5044233,90004,Antioxidant 1098,OKOBUGCCXMIKDM-UHFFFAOYSA-N,"N,N'-(Hexane-1,6-diyl)bis[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanamide]",CC(C)(C)C1=CC(CCC(=O)NCCCCCCNC(=O)CCC2=CC(=C(O)C(=C2)C(C)(C)C)C(C)(C)C)=CC(=C1O)C(C)(C)C,"InChI=1S/C40H64N2O4/c1-37(2,3)29-23-27(24-30(35(29)45)38(4,5)6)17-19-33(43)41-21-15-13-14-16-22-42-34(44)20-18-28-25-31(39(7,8)9)36(46)32(26-28)40(10,11)12/h23-26,45-46H,13-22H2,1-12H3,(H,41,43)(H,42,44)",C40H64N2O4,636.4866085
1335,"N,N?-1,2-Ethanediylbis[3,5-bis(1,1-dimethylethyl)-4-hydroxybenzenepropanamide]",23128-75-8,DTXSID701137368,13285484,"N,N′-1,2-Ethanediylbis[3,5-bis(1,1-dimethylethyl)-4-hydroxybenzenepropanamide]",SIOCOHKVFYNZJP-UHFFFAOYSA-N,"N,N'-(Ethane-1,2-diyl)bis[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanamide]",CC(C)(C)C1=CC(CCC(=O)NCCNC(=O)CCC2=CC(=C(O)C(=C2)C(C)(C)C)C(C)(C)C)=CC(=C1O)C(C)(C)C,"InChI=1S/C36H56N2O4/c1-33(2,3)25-19-23(20-26(31(25)41)34(4,5)6)13-15-29(39)37-17-18-38-30(40)16-14-24-21-27(35(7,8)9)32(42)28(22-24)36(10,11)12/h19-22,41-42H,13-18H2,1-12H3,(H,37,39)(H,38,40)",C36H56N2O4,580.4240083
1336,Triton X-100.2,2315-61-9,DTXSID3075044,24775,Triton X-100.2,LBCZOTMMGHGTPH-UHFFFAOYSA-N,"2-{2-[4-(2,4,4-Trimethylpentan-2-yl)phenoxy]ethoxy}ethan-1-ol",CC(C)(C)CC(C)(C)C1=CC=C(OCCOCCO)C=C1,"InChI=1S/C18H30O3/c1-17(2,3)14-18(4,5)15-6-8-16(9-7-15)21-13-12-20-11-10-19/h6-9,19H,10-14H2,1-5H3",C18H30O3,294.2194948
1337,Propyl benzoate,2315-68-6,DTXSID4044878,16846,Propyl benzoate,UDEWPOVQBGFNGE-UHFFFAOYSA-N,Propyl benzoate,CCCOC(=O)C1=CC=CC=C1,"InChI=1S/C10H12O2/c1-2-8-12-10(11)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3",C10H12O2,164.0837296
1338,"5-Cyclopropyl-2-[4-[(4,5,6,7-tetrahydro-4-oxopyrazolo[1,5-a]pyridin-2-yl)carbonyl]-1-piperazinyl][1,2,4]triazolo[1,5-a]pyrimidin-7(1H)-one (ACI)",2326888-75-7,,,"5-Cyclopropyl-2-[4-[(4,5,6,7-tetrahydro-4-oxopyrazolo[1,5-a]pyridin-2-yl)carbonyl]-1-piperazinyl][1,2,4]triazolo[1,5-a]pyrimidin-7(1H)-one (ACI)",ONDQICMZOSAMAL-UHFFFAOYSA-N,,O=C1C=C(N=C2NC(=NN12)N3CCN(C(=O)C4=NN5C(=C4)C(=O)CCC5)CC3)C6CC6,"InChI=1S/C20H22N8O3/c29-16-2-1-5-27-15(16)10-14(23-27)18(31)25-6-8-26(9-7-25)20-22-19-21-13(12-3-4-12)11-17(30)28(19)24-20/h10-12H,1-9H2,(H,21,22,24)",,
1339,?-[[[4-(1-Methylethyl)phenyl]methyl]sulfinyl]benzeneacetic acid (ACI),2334973-58-7,,,?-[[[4-(1-Methylethyl)phenyl]methyl]sulfinyl]benzeneacetic acid (ACI),ZDEKICOLKGWQFA-UHFFFAOYSA-N,,O=C(O)C(C=1C=CC=CC1)S(=O)CC2=CC=C(C=C2)C(C)C,"InChI=1S/C18H20O3S/c1-13(2)15-10-8-14(9-11-15)12-22(21)17(18(19)20)16-6-4-3-5-7-16/h3-11,13,17H,12H2,1-2H3,(H,19,20)",,
1340,"rel-(1S,4R)-1,2,3,4-Tetrahydro-1-phenyl-4-[(1R)-1-phenylethyl]naphthalene (ACI)",233748-71-5,,,"rel-(1S,4R)-1,2,3,4-Tetrahydro-1-phenyl-4-[(1R)-1-phenylethyl]naphthalene (ACI)",GJJWHYDGEZUFOW-NICQMECKNA-N,,C=1C=CC(=CC1)C2C=3C=CC=CC3C(CC2)C(C=4C=CC=CC4)C,"InChI=1S/C24H24/c1-18(19-10-4-2-5-11-19)21-16-17-22(20-12-6-3-7-13-20)24-15-9-8-14-23(21)24/h2-15,18,21-22H,16-17H2,1H3",,
1341,"rel-(1R,4R)-1,2,3,4-Tetrahydro-1-phenyl-4-[(1R)-1-phenylethyl]naphthalene (ACI)",233748-73-7,,,"rel-(1R,4R)-1,2,3,4-Tetrahydro-1-phenyl-4-[(1R)-1-phenylethyl]naphthalene (ACI)",GJJWHYDGEZUFOW-AROMUFHVNA-N,,C=1C=CC(=CC1)C2C=3C=CC=CC3C(CC2)C(C=4C=CC=CC4)C,"InChI=1S/C24H24/c1-18(19-10-4-2-5-11-19)21-16-17-22(20-12-6-3-7-13-20)24-15-9-8-14-23(21)24/h2-15,18,21-22H,16-17H2,1H3",,
1342,"Thymidine, 2?,3?-didehydro-3?-deoxy-, 5?-[(2S)-2-[[(2S)-3-methyl-1-oxo-2-[[(phenylmethoxy)carbonyl]amino]butyl]amino]-1-[(1S)-1-[[(2S)-3-methyl-1-oxo-2-[[(phenylmethoxy)carbonyl]amino]butyl]amino]-2-phenylethyl]-3-phenylpropyl butanedioate] (9CI)",234440-87-0,,15450623,"Thymidine, 2?,3?-didehydro-3?-deoxy-, 5?-[(2S)-2-[[(2S)-3-methyl-1-oxo-2-[[(phenylmethoxy)carbonyl]amino]butyl]amino]-1-[(1S)-1-[[(2S)-3-methyl-1-oxo-2-[[(phenylmethoxy)carbonyl]amino]butyl]amino]-2-phenylethyl]-3-phenylpropyl butanedioate] (9CI)",VYVUDYNHNHPMMC-WERZJQQDSA-N,"4-O-[(2S,4S)-2,4-bis[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]-1,5-diphenylpentan-3-yl] 1-O-[[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methyl] butanedioate",O=C(OCC=1C=CC=CC1)NC(C(=O)NC(CC=2C=CC=CC2)C(OC(=O)CCC(=O)OCC3OC(C=C3)N4C=C(C(=O)NC4=O)C)C(NC(=O)C(NC(=O)OCC=5C=CC=CC5)C(C)C)CC=6C=CC=CC6)C(C)C,"InChI=1S/C57H66N6O13/c1-36(2)49(60-56(70)73-33-41-22-14-8-15-23-41)53(67)58-44(30-39-18-10-6-11-19-39)51(76-48(65)29-28-47(64)72-35-43-26-27-46(75-43)63-32-38(5)52(66)62-55(63)69)45(31-40-20-12-7-13-21-40)59-54(68)50(37(3)4)61-57(71)74-34-42-24-16-9-17-25-42/h6-27,32,36-37,43-46,49-51H,28-31,33-35H2,1-5H3,(H,58,67)(H,59,68)(H,60,70)(H,61,71)(H,62,66,69)",C57H66N6O13,1042.47
1343,"(2S)-2,3-Dihydro-2,5-dihydroxy-1,4-naphthalenedione (ACI)",2345637-37-6,,135045231,"(2S)-2,3-Dihydro-2,5-dihydroxy-1,4-naphthalenedione (ACI)",FWPLKCMYOOAUFB-QMMMGPOBSA-N,"(2S)-2,5-dihydroxy-2,3-dihydronaphthalene-1,4-dione",O=C1C=2C(O)=CC=CC2C(=O)C(O)C1,"InChI=1S/C10H8O4/c11-6-3-1-2-5-9(6)7(12)4-8(13)10(5)14/h1-3,8,11,13H,4H2",C10H8O4,192.042
1344,2-Monopalmitin,23470-00-0,DTXSID30178024,123409,2-Monopalmitin,BBNYCLAREVXOSG-UHFFFAOYSA-N,"1,3-Dihydroxypropan-2-yl hexadecanoate",CCCCCCCCCCCCCCCC(=O)OC(CO)CO,"InChI=1S/C19H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(22)23-18(16-20)17-21/h18,20-21H,2-17H2,1H3",C19H38O4,330.2770097
1345,"2,3,5,6-Tetrabromo-p-xylene",23488-38-2,DTXSID8052697,31952,"2,3,5,6-Tetrabromo-p-xylene",RXKOKVQKECXYOT-UHFFFAOYSA-N,"1,2,4,5-Tetrabromo-3,6-dimethylbenzene",CC1=C(Br)C(Br)=C(C)C(Br)=C1Br,InChI=1S/C8H6Br4/c1-3-5(9)7(11)4(2)8(12)6(3)10/h1-2H3,C8H6Br4,417.720302
1346,Heneicosanoic acid,2363-71-5,DTXSID0021595,16898,Heneicosanoic acid,CKDDRHZIAZRDBW-UHFFFAOYSA-N,Henicosanoic acid,CCCCCCCCCCCCCCCCCCCCC(O)=O,"InChI=1S/C21H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23/h2-20H2,1H3,(H,22,23)",C21H42O2,326.3184806
1347,"2,4-Decadienal",2363-88-4,DTXSID4047626,16899,"2,4-Decadienal",JZQKTMZYLHNFPL-UHFFFAOYSA-N,"Deca-2,4-dienal",CCCCCC=CC=CC=O,"InChI=1S/C10H16O/c1-2-3-4-5-6-7-8-9-10-11/h6-10H,2-5H2,1H3",C10H16O,152.1201151
1348,Name Not Yet Assigned,2364349-06-2,,23412800,Name Not Yet Assigned,VYIZLBQQWWQAGY-UHFFFAOYSA-N,tris(2-hydroxyphenyl) phosphate,O=P(OC=1C=CC=CC1O)(OC=2C=CC=CC2O)OC=3C=CC=CC3O,"InChI=1S/C18H15O7P/c19-13-7-1-4-10-16(13)23-26(22,24-17-11-5-2-8-14(17)20)25-18-12-6-3-9-15(18)21/h1-12,19-21H",C18H15O7P,374.056
1349,"Benzoic acid, 4-ethoxy-, ethyl ester",23676-09-7,DTXSID6073443,90232,"Benzoic acid, 4-ethoxy-, ethyl ester",HRAQMGWTPNOILP-UHFFFAOYSA-N,Ethyl 4-ethoxybenzoate,CCOC(=O)C1=CC=C(OCC)C=C1,"InChI=1S/C11H14O3/c1-3-13-10-7-5-9(6-8-10)11(12)14-4-2/h5-8H,3-4H2,1-2H3",C11H14O3,194.0942943
1350,Damascenone,23696-85-7,DTXSID6041397,62775,Damascenone,POIARNZEYGURDG-UHFFFAOYSA-N,"1-(2,6,6-Trimethylcyclohexa-1,3-dien-1-yl)but-2-en-1-one",CC=CC(=O)C1=C(C)C=CCC1(C)C,"InChI=1S/C13H18O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5-8H,9H2,1-4H3",C13H18O,190.1357652
1351,"1-Hexanol, 2,2-dimethyl-",2370-13-0,DTXSID50178364,16912,"1-Hexanol, 2,2-dimethyl-",GSSDZVRLQDXOPL-UHFFFAOYSA-N,"2,2-Dimethylhexan-1-ol",CCCCC(C)(C)CO,"InChI=1S/C8H18O/c1-4-5-6-8(2,3)7-9/h9H,4-7H2,1-3H3",C8H18O,130.1357652
1352,"anthracene, 9-(2-propenyl)-",23707-65-5,DTXSID60880663,612797,"anthracene, 9-(2-propenyl)-",USRRYCXZCVGSQG-UHFFFAOYSA-N,9-(Prop-2-en-1-yl)anthracene,C=CCC1=C2C=CC=CC2=CC2=CC=CC=C12,"InChI=1S/C17H14/c1-2-7-17-15-10-5-3-8-13(15)12-14-9-4-6-11-16(14)17/h2-6,8-12H,1,7H2",C17H14,218.1095505
1353,3-Methylheptan-2-one,2371-19-9,DTXSID70870959,92927,3-Methylheptan-2-one,UHRZLJZZZDOHEX-UHFFFAOYSA-N,3-Methylheptan-2-one,CCCCC(C)C(C)=O,"InChI=1S/C8H16O/c1-4-5-6-7(2)8(3)9/h7H,4-6H2,1-3H3",C8H16O,128.1201151
1354,2-Methylisoborneol,2371-42-8,DTXSID90940148,,2-Methylisoborneol,LFYXNXGVLGKVCJ-GALMRPCMNA-N,"(1R,2R,4R)-1,2,7,7-Tetramethylbicyclo[2.2.1]heptan-2-ol",CC1(C)[C@@H]2CC[C@@]1(C)[C@](C)(O)C2,"InChI=1S/C11H20O/c1-9(2)8-5-6-10(9,3)11(4,12)7-8/h8,12H,5-7H2,1-4H3/t8-,10-,11-/m1/s1",C11H20O,168.1514153
1355,"(Z)-1-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-2-buten-1-one",23726-94-5,DTXSID2051891,6436548,"(Z)-1-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-2-buten-1-one",CRIGTVCBMUKRSL-ALCCZGGFSA-N,"(2Z)-1-(2,6,6-Trimethylcyclohex-2-en-1-yl)but-2-en-1-one",C\C=C/C(=O)C1C(C)=CCCC1(C)C,"InChI=1S/C13H20O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5,7-8,12H,6,9H2,1-4H3/b7-5-",C13H20O,192.1514153
1356,"(2E)-3,7-Dimethyl-2,6-octadien-1-yl (9Z)-9-hexadecenoate (ACI)",2375200-99-8,,91694966,"(2E)-3,7-Dimethyl-2,6-octadien-1-yl (9Z)-9-hexadecenoate (ACI)",LSHLMRRKUOWTIW-PYHWRHASSA-N,"[(2E)-3,7-dimethylocta-2,6-dienyl] (Z)-hexadec-9-enoate",O=C(OCC=C(C)CCC=C(C)C)CCCCCCCC=CCCCCCC,"InChI=1S/C26H46O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-21-26(27)28-23-22-25(4)20-18-19-24(2)3/h10-11,19,22H,5-9,12-18,20-21,23H2,1-4H3",C26H46O2,390.35
1357,2-Tridecyn-1-yl 10-undecynoate (ACI),2375201-28-6,,91697642,2-Tridecyn-1-yl 10-undecynoate (ACI),KNSRYXHYKIDPGF-UHFFFAOYSA-N,tridec-2-ynyl undec-10-ynoate,O=C(OCC#CCCCCCCCCCC)CCCCCCCCC#C,"InChI=1S/C24H40O2/c1-3-5-7-9-11-13-14-15-17-19-21-23-26-24(25)22-20-18-16-12-10-8-6-4-2/h2H,3,5-18,20,22-23H2,1H3",C24H40O2,360.303
1358,1-Methyl 6-(4-methylpentyl) hexanedioate (ACI),2375201-42-4,,91718008,1-Methyl 6-(4-methylpentyl) hexanedioate (ACI),GXGRIRSCONHUFK-UHFFFAOYSA-N,1-O-methyl 6-O-(4-methylpentyl) hexanedioate,O=C(OC)CCCCC(=O)OCCCC(C)C,"InChI=1S/C13H24O4/c1-11(2)7-6-10-17-13(15)9-5-4-8-12(14)16-3/h11H,4-10H2,1-3H3",C13H24O4,244.167
1359,1-(2-Ethylhexyl) 4-undecyl (2E)-2-butenedioate (ACI),2375201-49-1,,,1-(2-Ethylhexyl) 4-undecyl (2E)-2-butenedioate (ACI),IJMSWLBTOXYCCD-ISLYRVAYNA-N,,O=C(OCCCCCCCCCCC)C=CC(=O)OCC(CC)CCCC,"InChI=1S/C23H42O4/c1-4-7-9-10-11-12-13-14-15-19-26-22(24)17-18-23(25)27-20-21(6-3)16-8-5-2/h17-18,21H,4-16,19-20H2,1-3H3",,
1360,1-[2-(2-Chlorophenoxy)ethyl] 4-ethyl butanedioate (ACI),2375201-68-4,,91726212,1-[2-(2-Chlorophenoxy)ethyl] 4-ethyl butanedioate (ACI),CHSIRNHJPJDHLW-UHFFFAOYSA-N,4-O-[2-(2-chlorophenoxy)ethyl] 1-O-ethyl butanedioate,O=C(OCC)CCC(=O)OCCOC=1C=CC=CC1Cl,"InChI=1S/C14H17ClO5/c1-2-18-13(16)7-8-14(17)20-10-9-19-12-6-4-3-5-11(12)15/h3-6H,2,7-10H2,1H3",C14H17ClO5,300.076
1361,1-(1-Ethylpentyl) 6-tetradecyl hexanedioate (ACI),2375201-77-5,,91714177,1-(1-Ethylpentyl) 6-tetradecyl hexanedioate (ACI),PNOMYDOCPWKDGV-UHFFFAOYSA-N,6-O-heptan-3-yl 1-O-tetradecyl hexanedioate,O=C(OCCCCCCCCCCCCCC)CCCCC(=O)OC(CC)CCCC,"InChI=1S/C27H52O4/c1-4-7-9-10-11-12-13-14-15-16-17-20-24-30-26(28)22-18-19-23-27(29)31-25(6-3)21-8-5-2/h25H,4-24H2,1-3H3",C27H52O4,440.387
1362,"1-[[[(1,1-Dimethylethyl)dimethylsilyl]oxy]methyl]-2-methyl-3,5-dinitrobenzene (ACI)",2376447-69-5,,91738699,"1-[[[(1,1-Dimethylethyl)dimethylsilyl]oxy]methyl]-2-methyl-3,5-dinitrobenzene (ACI)",NNEICSQGOKPCLO-UHFFFAOYSA-N,"tert-butyl-dimethyl-[(2-methyl-3,5-dinitrophenyl)methoxy]silane",O=N(=O)C=1C=C(C(=C(C1)CO[Si](C)(C)C(C)(C)C)C)N(=O)=O,"InChI=1S/C14H22N2O5Si/c1-10-11(9-21-22(5,6)14(2,3)4)7-12(15(17)18)8-13(10)16(19)20/h7-8H,9H2,1-6H3",C14H22N2O5Si,326.13
1363,1-(1-Methylheptyl) 4-(2-tridecyn-1-yl) (2E)-2-butenedioate (ACI),2376447-70-8,,,1-(1-Methylheptyl) 4-(2-tridecyn-1-yl) (2E)-2-butenedioate (ACI),QKQPEZIKBVGYQM-QZQOTICONA-N,,O=C(OCC#CCCCCCCCCCC)C=CC(=O)OC(C)CCCCCC,"InChI=1S/C25H42O4/c1-4-6-8-10-11-12-13-14-15-16-18-22-28-24(26)20-21-25(27)29-23(3)19-17-9-7-5-2/h20-21,23H,4-15,17,19,22H2,1-3H3",,
1364,2-Hexyldodecyl 2-methylpropanoate (ACI),2376447-71-9,,91691599,2-Hexyldodecyl 2-methylpropanoate (ACI),FYQJPAMRHFILFU-UHFFFAOYSA-N,2-hexyldodecyl 2-methylpropanoate,O=C(OCC(CCCCCC)CCCCCCCCCC)C(C)C,"InChI=1S/C22H44O2/c1-5-7-9-11-12-13-14-16-18-21(17-15-10-8-6-2)19-24-22(23)20(3)4/h20-21H,5-19H2,1-4H3",C22H44O2,340.334
1365,"1-(Cyclohexylmethyl) 2-nonyl 1,2-cyclohexanedicarboxylate (ACI)",2376447-72-0,,91721826,"1-(Cyclohexylmethyl) 2-nonyl 1,2-cyclohexanedicarboxylate (ACI)",UXPSBBXEVRMWFI-UHFFFAOYSA-N,"2-O-(cyclohexylmethyl) 1-O-nonyl cyclohexane-1,2-dicarboxylate",O=C(OCCCCCCCCC)C1CCCCC1C(=O)OCC2CCCCC2,"InChI=1S/C24H42O4/c1-2-3-4-5-6-7-13-18-27-23(25)21-16-11-12-17-22(21)24(26)28-19-20-14-9-8-10-15-20/h20-22H,2-19H2,1H3",C24H42O4,394.308
1366,"1-(3,5-Dimethylcyclohexyl) 2-nonyl 1,2-cyclohexanedicarboxylate (ACI)",2376447-73-1,,91721974,"1-(3,5-Dimethylcyclohexyl) 2-nonyl 1,2-cyclohexanedicarboxylate (ACI)",QUDRMGFSMXKFSN-UHFFFAOYSA-N,"2-O-(3,5-dimethylcyclohexyl) 1-O-nonyl cyclohexane-1,2-dicarboxylate",O=C(OCCCCCCCCC)C1CCCCC1C(=O)OC2CC(C)CC(C)C2,"InChI=1S/C25H44O4/c1-4-5-6-7-8-9-12-15-28-24(26)22-13-10-11-14-23(22)25(27)29-21-17-19(2)16-20(3)18-21/h19-23H,4-18H2,1-3H3",C25H44O4,408.324
1367,"3,6,9,12,15-Pentaoxahexadecanol",23778-52-1,DTXSID8041371,90255,"3,6,9,12,15-Pentaoxahexadecanol",SLNYBUIEAMRFSZ-UHFFFAOYSA-N,"2,5,8,11,14-Pentaoxahexadecan-16-ol",COCCOCCOCCOCCOCCO,"InChI=1S/C11H24O6/c1-13-4-5-15-8-9-17-11-10-16-7-6-14-3-2-12/h12H,2-11H2,1H3",C11H24O6,252.1572885
1368,11H-Benzo[a]fluorene,238-84-6,DTXSID3075204,9195,11H-Benzo[a]fluorene,HKMTVMBEALTRRR-UHFFFAOYSA-N,11H-Benzo[a]fluorene,C1C2=CC=CC=C2C2=CC=C3C=CC=CC3=C12,"InChI=1S/C17H12/c1-3-7-14-12(5-1)9-10-16-15-8-4-2-6-13(15)11-17(14)16/h1-10H,11H2",C17H12,216.0939004
1369,1-Methylpyrene,2381-21-7,DTXSID0025654,16932,1-Methylpyrene,KBSPJIWZDWBDGM-UHFFFAOYSA-N,1-Methylpyrene,CC1=CC=C2C=CC3=CC=CC4=C3C2=C1C=C4,"InChI=1S/C17H12/c1-11-5-6-14-8-7-12-3-2-4-13-9-10-15(11)17(14)16(12)13/h2-10H,1H3",C17H12,216.0939004
1370,Mirex,2385-85-5,DTXSID7020895,16945,Mirex,GVYLCNUFSHDAAW-UHFFFAOYSA-N,"1,1a,2,2,3,3a,4,5,5,5a,5b,6-Dodecachlorooctahydro-1H-1,3,4-(methanetriyl)cyclobuta[cd]pentalene",ClC12C3(Cl)C4(Cl)C5(Cl)C(Cl)(C1(Cl)C4(Cl)Cl)C2(Cl)C(Cl)(Cl)C35Cl,"InChI=1S/C10Cl12/c11-1-2(12)7(17)4(14)3(13,5(1,15)9(7,19)20)6(1,16)10(21,22)8(2,4)18",C10Cl12,539.6262324
1371,"1,3-Dicyclohexylurea",2387-23-7,DTXSID3062366,4277,Dicyclohexylurea,ADFXKUOMJKEIND-UHFFFAOYSA-N,"N,N'-Dicyclohexylurea",O=C(NC1CCCCC1)NC1CCCCC1,"InChI=1S/C13H24N2O/c16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h11-12H,1-10H2,(H2,14,15,16)",C13H24N2O,224.1888634
1372,"Benzo[b]naphtho[2,1-d]thiophene",239-35-0,DTXSID8075205,9198,"Benzo[b]naphtho[2,1-d]thiophene",YEUHHUCOSQOCIX-UHFFFAOYSA-N,"Benzo[b]naphtho[2,1-d]thiophene",S1C2=CC=CC=C2C2=CC=C3C=CC=CC3=C12,InChI=1S/C16H10S/c1-2-6-12-11(5-1)9-10-14-13-7-3-4-8-15(13)17-16(12)14/h1-10H,C16H10S,234.0503215
1373,Propyzamide,23950-58-5,DTXSID2020420,32154,Propyzamide,PHNUZKMIPFFYSO-UHFFFAOYSA-N,"3,5-Dichloro-N-(2-methylbut-3-yn-2-yl)benzamide",CC(C)(NC(=O)C1=CC(Cl)=CC(Cl)=C1)C#C,"InChI=1S/C12H11Cl2NO/c1-4-12(2,3)15-11(16)8-5-9(13)7-10(14)6-8/h1,5-7H,2-3H3,(H,15,16)",C12H11Cl2NO,255.0217694
1374,"s-Trioxane, 2,4,6-triethyl-",2396-42-1,DTXSID00178672,95669,"s-Trioxane, 2,4,6-triethyl-",GYBGKXFOKOSPLS-UHFFFAOYSA-N,"2,4,6-Triethyl-1,3,5-trioxane",CCC1OC(CC)OC(CC)O1,"InChI=1S/C9H18O3/c1-4-7-10-8(5-2)12-9(6-3)11-7/h7-9H,4-6H2,1-3H3",C9H18O3,174.1255944
1375,3-Phenyldodecane,2400-00-2,DTXSID40862922,16979,3-Phenyldodecane,PGVOXXHNGYYHHB-UHFFFAOYSA-N,(Dodecan-3-yl)benzene,CCCCCCCCCC(CC)C1=CC=CC=C1,"InChI=1S/C18H30/c1-3-5-6-7-8-9-11-14-17(4-2)18-15-12-10-13-16-18/h10,12-13,15-17H,3-9,11,14H2,1-2H3",C18H30,246.234751
1376,(Tridecan-7-yl)benzene,2400-01-3,DTXSID20178730,16980,(Tridecan-7-yl)benzene,IMXZNWPPLCVUDT-UHFFFAOYSA-N,(Tridecan-7-yl)benzene,CCCCCCC(CCCCCC)C1=CC=CC=C1,"InChI=1S/C19H32/c1-3-5-7-10-14-18(15-11-8-6-4-2)19-16-12-9-13-17-19/h9,12-13,16-18H,3-8,10-11,14-15H2,1-2H3",C19H32,260.250401
1377,"2,2,6,6-Tetramethyl- 4-piperidinol",2403-88-5,DTXSID3029655,75471,"2,2,6,6-Tetramethyl- 4-piperidinol",VDVUCLWJZJHFAV-UHFFFAOYSA-N,"2,2,6,6-Tetramethylpiperidin-4-ol",CC1(C)CC(O)CC(C)(C)N1,"InChI=1S/C9H19NO/c1-8(2)5-7(11)6-9(3,4)10-8/h7,10-11H,5-6H2,1-4H3",C9H19NO,157.1466642
1378,"1-phenanthrenecarboxaldehyde, 1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-, [1s-(1alpha,4aalpha,10abeta)]-",24035-50-5,DTXSID10881206,25200548,"1-phenanthrenecarboxaldehyde, 1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-, [1s-(1alpha,4aalpha,10abeta)]-",YCLCHPWRGSDZKL-NRRUETGQSA-N,"(5xi)-Abieta-8,11,13-trien-18-al",CC(C)C1=CC2=C(C=C1)[C@@]1(C)CCC[C@@](C)(C=O)C1CC2,"InChI=1S/C20H28O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h6,8,12-14,18H,5,7,9-11H2,1-4H3/t18?,19-,20+/m0/s1",C20H28O,284.2140155
1379,Phenylstannane,2406-68-0,DTXSID501017211,3394122,Phenylstannane,YIBWWKGXGCICAB-UHFFFAOYSA-N,Phenylstannane,[H][Sn]([H])([H])C1=CC=CC=C1,InChI=1S/C6H5.Sn.3H/c1-2-4-6-5-3-1;;;;/h1-5H;;;;,C6H8Sn,199.964802
1380,"Cyclohexanone, 2,2,6-trimethyl-",2408-37-9,DTXSID20862925,17000,"Cyclohexanone, 2,2,6-trimethyl-",ZPVOLGVTNLDBFI-UHFFFAOYSA-N,"2,2,6-Trimethylcyclohexan-1-one",CC1CCCC(C)(C)C1=O,"InChI=1S/C9H16O/c1-7-5-4-6-9(2,3)8(7)10/h7H,4-6H2,1-3H3",C9H16O,140.1201151
1381,4-Methyl-2-tert-butylphenol,2409-55-4,DTXSID2020212,17004,4-Methyl-2-tert-butylphenol,IKEHOXWJQXIQAG-UHFFFAOYSA-N,2-tert-Butyl-4-methylphenol,CC1=CC(=C(O)C=C1)C(C)(C)C,"InChI=1S/C11H16O/c1-8-5-6-10(12)9(7-8)11(2,3)4/h5-7,12H,1-4H3",C11H16O,164.1201151
1382,"2,6-Diisopropylnaphthalene",24157-81-1,DTXSID7035272,32241,"2,6-Diisopropylnaphthalene",GWLLTEXUIOFAFE-UHFFFAOYSA-N,"2,6-Di(propan-2-yl)naphthalene",CC(C)C1=CC2=C(C=C1)C=C(C=C2)C(C)C,"InChI=1S/C16H20/c1-11(2)13-5-7-16-10-14(12(3)4)6-8-15(16)9-13/h5-12H,1-4H3",C16H20,212.1565006
1383,(Z)-7-Hexadecenoic acid,2416-19-5,DTXSID00920496,5318393,(Z)-7-Hexadecenoic acid,PJHOFUXBXJNUAC-KTKRTIGZSA-N,(7Z)-Hexadec-7-enoic acid,CCCCCCCC\C=C/CCCCCC(O)=O,"InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h9-10H,2-8,11-15H2,1H3,(H,17,18)/b10-9-",C16H30O2,254.2245802
1384,"hexadecenoic acid, z-11-",2416-20-8,DTXSID00880900,5312414,"hexadecenoic acid, z-11-",JGMYDQCXGIMHLL-WAYWQWQTSA-N,(11Z)-Hexadec-11-enoic acid,CCCC\C=C/CCCCCCCCCC(O)=O,"InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h5-6H,2-4,7-15H2,1H3,(H,17,18)/b6-5-",C16H30O2,254.2245802
1385,"2-(Bromomethyl)-2-(2-methylphenyl)-1,3-dioxolane",24169-43-5,DTXSID70344327,595960,"2-(Bromomethyl)-2-(2-methylphenyl)-1,3-dioxolane",YDMVKSOPAXNKMW-UHFFFAOYSA-N,"2-(Bromomethyl)-2-(2-methylphenyl)-1,3-dioxolane",CC1=CC=CC=C1C1(CBr)OCCO1,"InChI=1S/C11H13BrO2/c1-9-4-2-3-5-10(9)11(8-12)13-6-7-14-11/h2-5H,6-8H2,1H3",C11H13BrO2,256.009893
1386,"1-Octadecanaminium, N-(carboxymethyl)-N,N-bis(2-hydroxyethyl)-, inner salt",24170-14-7,DTXSID9066962,90380,"1-Octadecanaminium, N-(carboxymethyl)-N,N-bis(2-hydroxyethyl)-, inner salt",QEJSCTLHIOVBLH-UHFFFAOYSA-N,[Bis(2-hydroxyethyl)(octadecyl)azaniumyl]acetate,CCCCCCCCCCCCCCCCCC[N+](CCO)(CCO)CC([O-])=O,"InChI=1S/C24H49NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25(19-21-26,20-22-27)23-24(28)29/h26-27H,2-23H2,1H3",C24H49NO4,415.3661591
1387,12-Methylbenz[a]anthrancene,2422-79-9,DTXSID2074829,17026,12-Methylbenz[a]anthrancene,ACYOLKMEHHTLAB-UHFFFAOYSA-N,12-Methyltetraphene,CC1=C2C(C=CC3=CC=CC=C23)=CC2=CC=CC=C12,"InChI=1S/C19H14/c1-13-17-8-4-3-7-15(17)12-16-11-10-14-6-2-5-9-18(14)19(13)16/h2-12H,1H3",C19H14,242.1095505
1388,1-Chlorotetradecane,2425-54-9,DTXSID1027471,17043,1-Chlorotetradecane,RNHWYOLIEJIAMV-UHFFFAOYSA-N,1-Chlorotetradecane,CCCCCCCCCCCCCCCl,"InChI=1S/C14H29Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h2-14H2,1H3",C14H29Cl,232.1957786
1389,2-Hexyl-1-decanol,2425-77-6,DTXSID1041265,95337,2-Hexyl-1-decanol,XULHFMYCBKQGEE-UHFFFAOYSA-N,2-Hexyldecan-1-ol,CCCCCCCCC(CO)CCCCCC,"InChI=1S/C16H34O/c1-3-5-7-9-10-12-14-16(15-17)13-11-8-6-4-2/h16-17H,3-15H2,1-2H3",C16H34O,242.2609657
1390,"2-Methylene-4,8,8-trimethyl-4-vinyl bicyclo[5,2,0]nonane",242794-76-9,,564746,"2-Methylene-4,8,8-trimethyl-4-vinyl bicyclo[5,2,0]nonane",FITHEODIIYWPLM-UHFFFAOYSA-N,"4-ethenyl-4,8,8-trimethyl-2-methylidenebicyclo[5.2.0]nonane",C=CC1(C)CC(=C)C2CC(C)(C)C2CC1,"InChI=1S/C15H24/c1-6-15(5)8-7-13-12(11(2)9-15)10-14(13,3)4/h6,12-13H,1-2,7-10H2,3-5H3",C15H24,204.188
1391,11H-Benzo[b]fluorene,243-17-4,DTXSID1022477,9201,11H-Benzo[b]fluorene,HAPOJKSPCGLOOD-UHFFFAOYSA-N,11H-Benzo[b]fluorene,C1C2=CC=CC=C2C2=CC3=CC=CC=C3C=C12,"InChI=1S/C17H12/c1-2-6-13-11-17-15(9-12(13)5-1)10-14-7-3-4-8-16(14)17/h1-9,11H,10H2",C17H12,216.0939004
1393,11-Aminoundecanoic acid,2432-99-7,DTXSID5020077,17083,11-Aminoundecanoic acid,GUOSQNAUYHMCRU-UHFFFAOYSA-N,11-Aminoundecanoic acid,NCCCCCCCCCCC(O)=O,"InChI=1S/C11H23NO2/c12-10-8-6-4-2-1-3-5-7-9-11(13)14/h1-10,12H2,(H,13,14)",C11H23NO2,201.172879
1394,Tricosanoic acid,2433-96-7,DTXSID40179067,17085,Tricosanoic acid,XEZVDURJDFGERA-UHFFFAOYSA-N,Tricosanoic acid,CCCCCCCCCCCCCCCCCCCCCCC(O)=O,"InChI=1S/C23H46O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25/h2-22H2,1H3,(H,24,25)",C23H46O2,354.3497807
1395,Perhydropyrene,2435-85-0,DTXSID70873304,75524,Perhydropyrene,BYBPEZLZCGOWIS-UHFFFAOYSA-N,Hexadecahydropyrene,C1CC2CCC3CCCC4CCC(C1)C2C34,"InChI=1S/C16H26/c1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14/h11-16H,1-10H2",C16H26,218.2034508
1396,"Benzo(b)naphtho(2,3-d)thiophene, 6-methyl-",24360-63-2,DTXSID20179106,90480,"Benzo(b)naphtho(2,3-d)thiophene, 6-methyl-",SMVYLXVOJHVADR-UHFFFAOYSA-N,"6-Methylbenzo[b]naphtho[2,3-d]thiophene",CC1=C2SC3=CC=CC=C3C2=CC2=CC=CC=C12,"InChI=1S/C17H12S/c1-11-13-7-3-2-6-12(13)10-15-14-8-4-5-9-16(14)18-17(11)15/h2-10H,1H3",C17H12S,248.0659716
1397,n-Undecyl cyanide,2437-25-4,DTXSID1022188,17092,n-Undecyl cyanide,VXCUURYYWGCLIH-UHFFFAOYSA-N,Dodecanenitrile,CCCCCCCCCCCC#N,"InChI=1S/C12H23N/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-11H2,1H3",C12H23N,181.1830497
1398,1-Tridecene,2437-56-1,DTXSID3029235,17095,1-Tridecene,VQOXUMQBYILCKR-UHFFFAOYSA-N,Tridec-1-ene,CCCCCCCCCCCC=C,"InChI=1S/C13H26/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3H,1,4-13H2,2H3",C13H26,182.2034508
1399,4-Hydroxy-1H-indole-3-carboxylic acid,24370-76-1,DTXSID10344124,594570,4-Hydroxy-1H-indole-3-carboxylic acid,WBCFTHLZBHZMGB-UHFFFAOYSA-N,4-Hydroxy-1H-indole-3-carboxylic acid,OC(=O)C1=CNC2=C1C(O)=CC=C2,"InChI=1S/C9H7NO3/c11-7-3-1-2-6-8(7)5(4-10-6)9(12)13/h1-4,10-11H,(H,12,13)",C9H7NO3,177.0425931
1400,"3,6,13,16-tetraoxatricyclo[16.2.2^28,11]tetracosa-1(20),8,10,18,21,23-hexaene-2,7,12,17-tetrone",24388-68-9,DTXSID401017125,91743234,"3,6,13,16-tetraoxatricyclo[16.2.2^28,11]tetracosa-1(20),8,10,18,21,23-hexaene-2,7,12,17-tetrone",NFFNGYZBZAPKKE-UHFFFAOYSA-N,"3,6,13,16-Tetraoxatricyclo[16.2.2.2~8,11~]tetracosa-1(20),8,10,18,21,23-hexaene-2,7,12,17-tetrone",O=C1OCCOC(=O)C2=CC=C(C=C2)C(=O)OCCOC(=O)C2=CC=C1C=C2,"InChI=1S/C20H16O8/c21-17-13-1-2-14(4-3-13)18(22)26-11-12-28-20(24)16-7-5-15(6-8-16)19(23)27-10-9-25-17/h1-8H,9-12H2",C20H16O8,384.0845175
1401,"2,2',4,5'-Tetrabromodiphenyl Ether",243982-82-3,DTXSID90873927,15509892,"2,2′,4,5′-Tetrabromodiphenyl ether",QWVDUBDYUPHNHY-UHFFFAOYSA-N,"1,4-Dibromo-2-(2,4-dibromophenoxy)benzene",BrC1=CC(Br)=C(OC2=C(Br)C=CC(Br)=C2)C=C1,InChI=1S/C12H6Br4O/c13-7-2-4-11(10(16)5-7)17-12-6-8(14)1-3-9(12)15/h1-6H,C12H6Br4O,481.715217
1403,2-(2H-Benzotriazol-2-yl)-4-methylphenol,2440-22-4,DTXSID1027479,17113,2-(2H-Benzotriazol-2-yl)-4-methylphenol,MCPKSFINULVDNX-UHFFFAOYSA-N,2-(2H-Benzotriazol-2-yl)-4-methylphenol,CC1=CC(N2N=C3C=CC=CC3=N2)=C(O)C=C1,"InChI=1S/C13H11N3O/c1-9-6-7-13(17)12(8-9)16-14-10-4-2-3-5-11(10)15-16/h2-8,17H,1H3",C13H11N3O,225.090212
1404,Non-1-en-3-one,24415-26-7,DTXSID80865154,181106,Non-1-en-3-one,HILCQVNWWOARMT-UHFFFAOYSA-N,Non-1-en-3-one,CCCCCCC(=O)C=C,"InChI=1S/C9H16O/c1-3-5-6-7-8-9(10)4-2/h4H,2-3,5-8H2,1H3",C9H16O,140.1201151
1405,"Triglyceride PLP,sn",2442-56-0,DTXSID401315688,13783387,"Triglyceride PLP,sn",HTGAUBMLVQRATC-DHSNEXAOSA-N,"1,3-Bis(hexadecanoyloxy)propan-2-yl (9Z,12Z)-octadeca-9,12-dienoate",CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C53H98O6/c1-4-7-10-13-16-19-22-25-26-29-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2)49-58-52(55)46-43-40-37-34-31-28-24-21-18-15-12-9-6-3/h16,19,25-26,50H,4-15,17-18,20-24,27-49H2,1-3H3/b19-16-,26-25-",C53H98O6,830.7363409
1406,"Bicyclo(4.4.1)undeca-1,3,5,7,9-pentaene",2443-46-1,DTXSID40179188,137603,"Bicyclo(4.4.1)undeca-1,3,5,7,9-pentaene",OORRQYZWSVJKSO-UHFFFAOYSA-N,"Bicyclo[4.4.1]undeca-1,3,5,7,9-pentaene",C1C2=CC=CC=C1C=CC=C2,"InChI=1S/C11H10/c1-2-6-11-8-4-3-7-10(5-1)9-11/h1-8H,9H2",C11H10,142.0782503
1407,9-Vinylanthracene,2444-68-0,DTXSID30179197,17125,9-Vinylanthracene,OGOYZCQQQFAGRI-UHFFFAOYSA-N,9-Ethenylanthracene,C=CC1=C2C=CC=CC2=CC2=CC=CC=C12,"InChI=1S/C16H12/c1-2-14-15-9-5-3-7-12(15)11-13-8-4-6-10-16(13)14/h2-11H,1H2",C16H12,204.0939004
1409,"1,2-Benzenedicarboxylic acid, monopentyl ester",24539-56-8,DTXSID60179281,90531,"1,2-Benzenedicarboxylic acid, monopentyl ester",FPGPRAKRYDSZAW-UHFFFAOYSA-N,2-[(Pentyloxy)carbonyl]benzoic acid,CCCCCOC(=O)C1=CC=CC=C1C(O)=O,"InChI=1S/C13H16O4/c1-2-3-6-9-17-13(16)11-8-5-4-7-10(11)12(14)15/h4-5,7-8H,2-3,6,9H2,1H3,(H,14,15)",C13H16O4,236.104859
1410,Di-n-decyl ether,2456-28-2,DTXSID4062430,17152,Di-n-decyl ether,LTSWUFKUZPPYEG-UHFFFAOYSA-N,1-(Decyloxy)decane,CCCCCCCCCCOCCCCCCCCCC,"InChI=1S/C20H42O/c1-3-5-7-9-11-13-15-17-19-21-20-18-16-14-12-10-8-6-4-2/h3-20H2,1-2H3",C20H42O,298.323566
1411,4-Pyrrolidinopyridine,2456-81-7,DTXSID90179299,75567,4-Pyrrolidinopyridine,RGUKYNXWOWSRET-UHFFFAOYSA-N,4-(Pyrrolidin-1-yl)pyridine,C1CCN(C1)C1=CC=NC=C1,"InChI=1S/C9H12N2/c1-2-8-11(7-1)9-3-5-10-6-4-9/h3-6H,1-2,7-8H2",C9H12N2,148.1000484
1412,"Octadecanoic acid, 9,10-epoxy-, cis-",24560-98-3,DTXSID40179300,119250,"Octadecanoic acid, 9,10-epoxy-, cis-",IMYZYCNQZDBZBQ-SJORKVTESA-N,"8-[(2S,3R)-3-Octyloxiran-2-yl]octanoic acid",CCCCCCCC[C@H]1O[C@H]1CCCCCCCC(O)=O,"InChI=1S/C18H34O3/c1-2-3-4-5-7-10-13-16-17(21-16)14-11-8-6-9-12-15-18(19)20/h16-17H,2-15H2,1H3,(H,19,20)/t16-,17+/m1/s1",C18H34O3,298.250795
1413,"2,5-Di-tert-butylcyclohexa-2,5-diene-1,4-dione",2460-77-7,DTXSID3044889,17161,"2,5-Di-tert-butylcyclohexa-2,5-diene-1,4-dione",ZZYASVWWDLJXIM-UHFFFAOYSA-N,"2,5-Di-tert-butylcyclohexa-2,5-diene-1,4-dione",CC(C)(C)C1=CC(=O)C(=CC1=O)C(C)(C)C,"InChI=1S/C14H20O2/c1-13(2,3)9-7-12(16)10(8-11(9)15)14(4,5)6/h7-8H,1-6H3",C14H20O2,220.1463299
1414,p-Tert-butoxyphenol,2460-87-9,DTXSID90179350,2773621,p-Tert-butoxyphenol,CIICLJLSRUHUBY-UHFFFAOYSA-N,4-tert-Butoxyphenol,CC(C)(C)OC1=CC=C(O)C=C1,"InChI=1S/C10H14O2/c1-10(2,3)12-9-6-4-8(11)5-7-9/h4-7,11H,1-3H3",C10H14O2,166.0993797
1415,2-Nonenal,2463-53-8,DTXSID3047219,17166,2-Nonenal,BSAIUMLZVGUGKX-UHFFFAOYSA-N,Non-2-enal,CCCCCCC=CC=O,"InChI=1S/C9H16O/c1-2-3-4-5-6-7-8-9-10/h7-9H,2-6H2,1H3",C9H16O,140.1201151
1416,2-Undecenal,2463-77-6,DTXSID9062437,62447,2-Undecenal,PANBRUWVURLWGY-UHFFFAOYSA-N,Undec-2-enal,CCCCCCCCC=CC=O,"InChI=1S/C11H20O/c1-2-3-4-5-6-7-8-9-10-11-12/h9-11H,2-8H2,1H3",C11H20O,168.1514153
1417,"2,2-Dimethoxy-1,2-diphenylethanone",24650-42-8,DTXSID7037715,90571,"2,2-Dimethoxy-1,2-diphenylethanone",KWVGIHKZDCUPEU-UHFFFAOYSA-N,"2,2-Dimethoxy-1,2-diphenylethan-1-one",COC(OC)(C(=O)C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C16H16O3/c1-18-16(19-2,14-11-7-4-8-12-14)15(17)13-9-5-3-6-10-13/h3-12H,1-2H3",C16H16O3,256.1099444
1418,"rel-(4R,18R)-14-(3-Methoxy-2,2-dimethyl-1-oxopropyl)-4-(1-methylethyl)-18-(phenylmethyl)-6,20-dithia-3,10,14,17,22,23-hexaazatricyclo[17.2.1.15,8]tricosa-5(23),7,19(22),21-tetraene-2,9,16-trione (ACI)",2468793-73-7,,,"rel-(4R,18R)-14-(3-Methoxy-2,2-dimethyl-1-oxopropyl)-4-(1-methylethyl)-18-(phenylmethyl)-6,20-dithia-3,10,14,17,22,23-hexaazatricyclo[17.2.1.15,8]tricosa-5(23),7,19(22),21-tetraene-2,9,16-trione (ACI)",DHVTZWGOZXFRHX-XOBMTGLFNA-N,,O=C1NCCCN(C(=O)C(C)(C)COC)CC(=O)NC(C2=NC(=CS2)C(=O)NC(C3=NC1=CS3)C(C)C)CC=4C=CC=CC4,"InChI=1S/C31H40N6O5S2/c1-19(2)25-29-35-22(16-44-29)26(39)32-12-9-13-37(30(41)31(3,4)18-42-5)15-24(38)33-21(14-20-10-7-6-8-11-20)28-34-23(17-43-28)27(40)36-25/h6-8,10-11,16-17,19,21,25H,9,12-15,18H2,1-5H3,(H,32,39)(H,33,38)(H,36,40)",,
1419,"3,6,6,9-Tetramethyl-4,4a,5,6,7,9a-hexahydro-1H-benzo[7]annulene",24703-35-3,DTXSID40947642,91224,"3,6,6,9-Tetramethyl-4,4a,5,6,7,9a-hexahydro-1H-benzo[7]annulene",NHWVMXZZAZDCIV-UHFFFAOYSA-N,"3,6,6,9-Tetramethyl-4,4a,5,6,7,9a-hexahydro-1H-benzo[7]annulene",CC1=CCC2C(C1)CC(C)(C)CC=C2C,"InChI=1S/C15H24/c1-11-5-6-14-12(2)7-8-15(3,4)10-13(14)9-11/h5,7,13-14H,6,8-10H2,1-4H3",C15H24,204.1878008
1420,"Undecane, 1-chloro-",2473-03-2,DTXSID8062448,17186,"Undecane, 1-chloro-",ZHKKNUKCXPWZOP-UHFFFAOYSA-N,1-Chloroundecane,CCCCCCCCCCCCl,"InChI=1S/C11H23Cl/c1-2-3-4-5-6-7-8-9-10-11-12/h2-11H2,1H3",C11H23Cl,190.1488284
1421,Acetosyringone,2478-38-8,DTXSID2062454,17198,Acetosyringone,OJOBTAOGJIWAGB-UHFFFAOYSA-N,"1-(4-Hydroxy-3,5-dimethoxyphenyl)ethan-1-one",COC1=CC(=CC(OC)=C1O)C(C)=O,"InChI=1S/C10H12O4/c1-6(11)7-4-8(13-2)10(12)9(5-7)14-3/h4-5,12H,1-3H3",C10H12O4,196.0735589
1422,Tripropylene glycol,24800-44-0,DTXSID7027837,,Tripropylene glycol,,,,,,
1423,(3-Isocyanatopropyl)triethoxysilane,24801-88-5,DTXSID4038847,90613,(3-Isocyanatopropyl)triethoxysilane,FRGPKMWIYVTFIQ-UHFFFAOYSA-N,Triethoxy(3-isocyanatopropyl)silane,CCO[Si](CCCN=C=O)(OCC)OCC,"InChI=1S/C10H21NO4Si/c1-4-13-16(14-5-2,15-6-3)9-7-8-11-10-12/h4-9H2,1-3H3",C10H21NO4Si,247.1239847
1424,Trihexyl acetylcitrate,24817-92-3,DTXSID3051915,90617,Trihexyl acetylcitrate,TUUQISRYLMFKOG-UHFFFAOYSA-N,"Trihexyl 2-(acetyloxy)propane-1,2,3-tricarboxylate",CCCCCCOC(=O)CC(CC(=O)OCCCCCC)(OC(C)=O)C(=O)OCCCCCC,"InChI=1S/C26H46O8/c1-5-8-11-14-17-31-23(28)20-26(34-22(4)27,25(30)33-19-16-13-10-7-3)21-24(29)32-18-15-12-9-6-2/h5-21H2,1-4H3",C26H46O8,486.3192684
1425,(9Z)-7-Hydroxy-17-oxo-9-octadecenoic acid (ACI),248242-95-7,,,(9Z)-7-Hydroxy-17-oxo-9-octadecenoic acid (ACI),QFBJMIICFQWATP-TWGQIWQCNA-N,,O=C(O)CCCCCC(O)CC=CCCCCCCC(=O)C,"InChI=1S/C18H32O4/c1-16(19)12-8-5-3-2-4-6-9-13-17(20)14-10-7-11-15-18(21)22/h6,9,17,20H,2-5,7-8,10-15H2,1H3,(H,21,22)",,
1426,3-undecylcyclopentene,24828-58-8,DTXSID00317281,329680,3-undecylcyclopentene,ORDYQBBWOHTMIZ-UHFFFAOYSA-N,3-Undecylcyclopent-1-ene,CCCCCCCCCCCC1CCC=C1,"InChI=1S/C16H30/c1-2-3-4-5-6-7-8-9-10-13-16-14-11-12-15-16/h11,14,16H,2-10,12-13,15H2,1H3",C16H30,222.234751
1427,Methyl dihydrojasmonate,24851-98-7,DTXSID2029325,102861,Methyl dihydrojasmonate,KVWWIYGFBYDJQC-UHFFFAOYSA-N,Methyl (3-oxo-2-pentylcyclopentyl)acetate,CCCCCC1C(CC(=O)OC)CCC1=O,"InChI=1S/C13H22O3/c1-3-4-5-6-11-10(7-8-12(11)14)9-13(15)16-2/h10-11H,3-9H2,1-2H3",C13H22O3,226.1568946
1428,"(1S,2R,5S)-N-[3-[(1-Ethyl-4-piperidinyl)oxy]propyl]-7-(phenylmethyl)-3,7-diazabicyclo[3.3.1]nonane-2-butanamide (ACI)",2488056-53-5,,110195322,"(1S,2R,5S)-N-[3-[(1-Ethyl-4-piperidinyl)oxy]propyl]-7-(phenylmethyl)-3,7-diazabicyclo[3.3.1]nonane-2-butanamide (ACI)",URCXYNUWRHKUCZ-OHSXHVKISA-N,"4-[(1S,2R,5S)-7-benzyl-3,7-diazabicyclo[3.3.1]nonan-2-yl]-N-[3-(1-ethylpiperidin-4-yl)oxypropyl]butanamide",O=C(NCCCOC1CCN(CC)CC1)CCCC2NCC3CN(CC=4C=CC=CC4)CC2C3,"InChI=1S/C28H46N4O2/c1-2-31-15-12-26(13-16-31)34-17-7-14-29-28(33)11-6-10-27-25-18-24(19-30-27)21-32(22-25)20-23-8-4-3-5-9-23/h3-5,8-9,24-27,30H,2,6-7,10-22H2,1H3,(H,29,33)",C28H46N4O2,470.362
1429,Methyl 10-methylheptadecanoate,2490-25-7,DTXSID00947789,554139,Methyl 10-methylheptadecanoate,DRJCIKFLPGIEQC-UHFFFAOYSA-N,Methyl 10-methylheptadecanoate,CCCCCCCC(C)CCCCCCCCC(=O)OC,"InChI=1S/C19H38O2/c1-4-5-6-9-12-15-18(2)16-13-10-7-8-11-14-17-19(20)21-3/h18H,4-17H2,1-3H3",C19H38O2,298.2871805
1430,Pregnane,24909-91-9,DTXSID10425881,6857422,Pregnane,JWMFYGXQPXQEEM-WZBAXQLOSA-N,Pregnane,CC[C@H]1CC[C@H]2[C@@H]3CCC4CCCC[C@]4(C)[C@H]3CC[C@]12C,"InChI=1S/C21H36/c1-4-15-9-11-18-17-10-8-16-7-5-6-13-20(16,2)19(17)12-14-21(15,18)3/h15-19H,4-14H2,1-3H3/t15-,16?,17-,18-,19-,20-,21+/m0/s1",C21H36,288.2817012
1431,"2,2'-(Pentadecylazanediyl)di(ethan-1-ol)",24910-32-5,DTXSID50549914,13802563,"2,2'-(Pentadecylazanediyl)di(ethan-1-ol)",MOVFFQCDGPWQOJ-UHFFFAOYSA-N,"2,2'-(Pentadecylazanediyl)di(ethan-1-ol)",CCCCCCCCCCCCCCCN(CCO)CCO,"InChI=1S/C19H41NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20(16-18-21)17-19-22/h21-22H,2-19H2,1H3",C19H41NO2,315.3137296
1432,"4a,7b-Dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-9aH-cyclopropa[3,4]benzo[1,2-e]azulene-9,9a-diyl didecanoate",24928-17-4,DTXSID50947810,452543,"4a,7b-Dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-9aH-cyclopropa[3,4]benzo[1,2-e]azulene-9,9a-diyl didecanoate",DGOSGFYDFDYMCW-MWRBZVGOSA-N,"(1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-4a,7b-Dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-9aH-cyclopropa[3,4]benzo[1,2-e]azulene-9,9a-diyl didecanoate",[H][C@]12[C@]3([H])C=C(CO)C[C@]4(O)C(=O)C(C)=C[C@@]4([H])[C@@]3(O)[C@]([H])(C)[C@@]([H])(OC(=O)CCCCCCCCC)[C@@]1(OC(=O)CCCCCCCCC)C2(C)C,"InChI=1S/C40H64O8/c1-7-9-11-13-15-17-19-21-32(42)47-36-28(4)39(46)30(24-29(26-41)25-38(45)31(39)23-27(3)35(38)44)34-37(5,6)40(34,36)48-33(43)22-20-18-16-14-12-10-8-2/h23-24,28,30-31,34,36,41,45-46H,7-22,25-26H2,1-6H3/t28-,30+,31-,34-,36-,38-,39-,40-/m1/s1",C40H64O8,672.460119
1433,Benzyl methacrylate,2495-37-6,DTXSID0022193,17236,Benzyl methacrylate,AOJOEFVRHOZDFN-UHFFFAOYSA-N,Benzyl 2-methylprop-2-enoate,CC(=C)C(=O)OCC1=CC=CC=C1,"InChI=1S/C11H12O2/c1-9(2)11(12)13-8-10-6-4-3-5-7-10/h3-7H,1,8H2,2H3",C11H12O2,176.0837296
1434,"Benzo(b)naphtho(2,3-d)thiophene, 7-methyl-",24964-09-8,DTXSID70179676,90669,"Benzo(b)naphtho(2,3-d)thiophene, 7-methyl-",CKOZCPVQNQOFGX-UHFFFAOYSA-N,"7-Methylbenzo[b]naphtho[2,3-d]thiophene",CC1=C2C=C3SC4=CC=CC=C4C3=CC2=CC=C1,"InChI=1S/C17H12S/c1-11-5-4-6-12-9-15-13-7-2-3-8-16(13)18-17(15)10-14(11)12/h2-10H,1H3",C17H12S,248.0659716
1435,"7,8-Dimethylbenzo(b)naphtho(2,3-d)thiophene",24964-12-3,DTXSID70283787,234099,"7,8-Dimethylbenzo(b)naphtho(2,3-d)thiophene",VAGBNOVDXHIPRC-UHFFFAOYSA-N,"7,8-Dimethylbenzo[b]naphtho[2,3-d]thiophene",CC1=C(C)C2=CC3=C(C=C2C=C1)C1=CC=CC=C1S3,"InChI=1S/C18H14S/c1-11-7-8-13-9-16-14-5-3-4-6-17(14)19-18(16)10-15(13)12(11)2/h3-10H,1-2H3",C18H14S,262.0816216
1436,"benzo[b]naphtho[2,3-d]thiophene, 6,8-dimethyl-",24964-16-7,DTXSID40880808,621759,"benzo[b]naphtho[2,3-d]thiophene, 6,8-dimethyl-",RHDRETOWNKZLPR-UHFFFAOYSA-N,"6,8-Dimethylbenzo[b]naphtho[2,3-d]thiophene",CC1=CC2=C(C)C3=C(C=C2C=C1)C1=C(S3)C=CC=C1,"InChI=1S/C18H14S/c1-11-7-8-13-10-16-14-5-3-4-6-17(14)19-18(16)12(2)15(13)9-11/h3-10H,1-2H3",C18H14S,262.0816216
1437,Polybutylene terephthalate,24968-12-5,DTXSID301018687,,Polybutylene terephthalate,,,,,,
1438,1-Methylbenz(a)anthracene,2498-77-3,DTXSID50179699,17256,1-Methylbenz(a)anthracene,MWMBCXXTFFHALK-UHFFFAOYSA-N,1-Methyltetraphene,CC1=C2C(C=CC3=CC4=CC=CC=C4C=C23)=CC=C1,"InChI=1S/C19H14/c1-13-5-4-8-14-9-10-17-11-15-6-2-3-7-16(15)12-18(17)19(13)14/h2-12H,1H3",C19H14,242.1095505
1439,Methyl 3-[5-(oxiran-2-yl)pentyl]undecanoate,2500-59-6,DTXSID00947865,92931,Methyl 3-[5-(oxiran-2-yl)pentyl]undecanoate,WUWVZKSSNMWLCB-UHFFFAOYSA-N,Methyl 3-[5-(oxiran-2-yl)pentyl]undecanoate,CCCCCCCCC(CCCCCC1CO1)CC(=O)OC,"InChI=1S/C19H36O3/c1-3-4-5-6-7-9-12-17(15-19(20)21-2)13-10-8-11-14-18-16-22-18/h17-18H,3-16H2,1-2H3",C19H36O3,312.266445
1440,"3a,4,5,6,7,7a-Hexahydro-1H-4,7-methanoinden-5-yl acetate",2500-83-6,DTXSID3051917,98478,"3a,4,5,6,7,7a-Hexahydro-1H-4,7-methanoinden-5-yl acetate",BJLRAKFWOUAROE-UHFFFAOYSA-N,"3a,4,5,6,7,7a-Hexahydro-1H-4,7-methanoinden-5-yl acetate",CC(=O)OC1CC2CC1C1C=CCC21,"InChI=1S/C12H16O2/c1-7(13)14-12-6-8-5-11(12)10-4-2-3-9(8)10/h2,4,8-12H,3,5-6H2,1H3",C12H16O2,192.1150298
1441,Butylated hydroxyanisole,25013-16-5,DTXSID7020215,,Butylated hydroxyanisole,,,,,,
1442,Tris(4-isopropylphenyl) phosphate,2502-15-0,DTXSID80858783,75628,Tris(4-isopropylphenyl) phosphate,ANVREEJNGJMLOV-UHFFFAOYSA-N,Tris[4-(propan-2-yl)phenyl] phosphate,CC(C)C1=CC=C(OP(=O)(OC2=CC=C(C=C2)C(C)C)OC2=CC=C(C=C2)C(C)C)C=C1,"InChI=1S/C27H33O4P/c1-19(2)22-7-13-25(14-8-22)29-32(28,30-26-15-9-23(10-16-26)20(3)4)31-27-17-11-24(12-18-27)21(5)6/h7-21H,1-6H3
",C27H33O4P,452.2116465
1443,"2,4,6-Trichlorophenyl isocyanate",2505-31-9,DTXSID20346614,613574,"2,4,6-Trichlorophenyl isocyanate",VDYWXVDWKFAUKE-UHFFFAOYSA-N,"1,3,5-Trichloro-2-isocyanatobenzene",ClC1=CC(Cl)=C(N=C=O)C(Cl)=C1,"InChI=1S/C7H2Cl3NO/c8-4-1-5(9)7(11-3-12)6(10)2-4/h1-2H
",C7H2Cl3NO,220.9201968
1444,"Octadecanamide, N-[3-(dimethyloxidoamino)propyl]-",25066-20-0,DTXSID6067048,90706,"Octadecanamide, N-[3-(dimethyloxidoamino)propyl]-",ZHXQBNMVWBJMFB-UHFFFAOYSA-N,"N,N-Dimethyl-3-(octadecanoylamino)propan-1-amine N-oxide",CCCCCCCCCCCCCCCCCC(=O)NCCCN(C)(C)=O,"InChI=1S/C23H48N2O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23(26)24-21-19-22-25(2,3)27/h4-22H2,1-3H3,(H,24,26)
",C23H48N2O2,384.3715788
1445,Epoxy resin,25085-99-8,DTXSID3049590,,Epoxy resin,,,,,,
1446,9-Methylbicyclo[3.3.1]nonane,25107-01-1,DTXSID00339564,557006,9-Methylbicyclo[3.3.1]nonane,BGVTWYSBELJEEE-UHFFFAOYSA-N,9-Methylbicyclo[3.3.1]nonane,[H]C12CCCC([H])(CCC1)C2C,"InChI=1S/C10H18/c1-8-9-4-2-5-10(8)7-3-6-9/h8-10H,2-7H2,1H3",C10H18,138.1408506
1447,4-Methyltetradecane,25117-24-2,DTXSID60334272,520179,4-Methyltetradecane,ITVMHPMCNRGCIY-UHFFFAOYSA-N,4-Methyltetradecane,CCCCCCCCCCC(C)CCC,"InChI=1S/C15H32/c1-4-6-7-8-9-10-11-12-14-15(3)13-5-2/h15H,4-14H2,1-3H3",C15H32,212.250401
1448,4-Methylhexadecane,25117-26-4,DTXSID40947980,179444,4-Methylhexadecane,OREPYGSHKSWUCK-UHFFFAOYSA-N,4-Methylhexadecane,CCCCCCCCCCCCC(C)CCC,"InChI=1S/C17H36/c1-4-6-7-8-9-10-11-12-13-14-16-17(3)15-5-2/h17H,4-16H2,1-3H3",C17H36,240.2817012
1449,5-Methyltridecane,25117-31-1,DTXSID0058649,520182,5-Methyltridecane,NFWBQMAWXUZCRJ-UHFFFAOYSA-N,5-Methyltridecane,CCCCCCCCC(C)CCCC,"InChI=1S/C14H30/c1-4-6-8-9-10-11-13-14(3)12-7-5-2/h14H,4-13H2,1-3H3",C14H30,198.234751
1450,5-Methyltetradecane,25117-32-2,DTXSID90873321,98976,5-Methyltetradecane,SQKZZFHVQCSUHZ-UHFFFAOYSA-N,5-Methyltetradecane,CCCCCCCCCC(C)CCCC,"InChI=1S/C15H32/c1-4-6-8-9-10-11-12-14-15(3)13-7-5-2/h15H,4-14H2,1-3H3",C15H32,212.250401
1451,5-METHYLPENTADECANE,25117-33-3,DTXSID10275005,32796,5-METHYLPENTADECANE,YWUXIGHUBKWHRW-UHFFFAOYSA-N,5-Methylpentadecane,CCCCCCCCCCC(C)CCCC,"InChI=1S/C16H34/c1-4-6-8-9-10-11-12-13-15-16(3)14-7-5-2/h16H,4-15H2,1-3H3",C16H34,226.2660511
1452,5-Methylhexadecane (ACI),25117-34-4,,528521,5-Methylhexadecane (ACI),LNFKUZITRWJITR-UHFFFAOYSA-N,5-methylhexadecane,CCCCCCCCCCCC(C)CCCC,"InChI=1S/C17H36/c1-4-6-8-9-10-11-12-13-14-16-17(3)15-7-5-2/h17H,4-16H2,1-3H3",C17H36,240.282
1453,5-Methyloctadecane,25117-35-5,DTXSID401315802,520183,5-Methyloctadecane,FRVYSTFGTANOHG-UHFFFAOYSA-N,5-Methyloctadecane,CCCCCCCCCCCCCC(C)CCCC,"InChI=1S/C19H40/c1-4-6-8-9-10-11-12-13-14-15-16-18-19(3)17-7-5-2/h19H,4-18H2,1-3H3",C19H40,268.3130013
1454,trans-2-Methylcyclopentan-1-ol,25144-04-1,DTXSID00179821,32804,trans-2-Methylcyclopentan-1-ol,BVIJQMCYYASIFP-PHDIDXHHSA-N,"(1R,2R)-2-Methylcyclopentan-1-ol",C[C@@H]1CCC[C@H]1O,"InChI=1S/C6H12O/c1-5-3-2-4-6(5)7/h5-7H,2-4H2,1H3/t5-,6-/m1/s1",C6H12O,100.088815
1455,Yellow II,25152-49-2,DTXSID601014846,,Yellow II,WMRJZJXMLCVXPN-UHFFFAOYSA-N,"2-[3,6-Bis(ethylamino)-2,7-dimethylxanthen-10-ium-9-yl]benzoate",CCNC1=CC2=[O+]C3=C(C=C(C)C(NCC)=C3)C(=C2C=C1C)C1=C(C=CC=C1)C([O-])=O,"InChI=1S/C26H26N2O3/c1-5-27-21-13-23-19(11-15(21)3)25(17-9-7-8-10-18(17)26(29)30)20-12-16(4)22(28-6-2)14-24(20)31-23/h7-14,27-28H,5-6H2,1-4H3",C26H26N2O3,414.1943427
1456,"(E,E)-2,4-Decadienal",25152-84-5,DTXSID6024911,5283349,"(E,E)-2,4-Decadienal",JZQKTMZYLHNFPL-BLHCBFLLSA-N,"(2E,4E)-Deca-2,4-dienal",CCCCC\C=C\C=C\C=O,"InChI=1S/C10H16O/c1-2-3-4-5-6-7-8-9-10-11/h6-10H,2-5H2,1H3/b7-6+,9-8+",C10H16O,152.1201151
1457,n-Nonylphenol,25154-52-3,DTXSID3021857,,n-Nonylphenol,,,,,,
1458,Bis(t-butyl dioxyisopropyl)benzene,25155-25-3,DTXSID7024611,,Bis(t-butyl dioxyisopropyl)benzene,,,,,,
1459,Butene,25167-67-3,DTXSID0027850,,Butene,,,,,,
1460,Chlorotoluene,25168-05-2,DTXSID0027852,,Chlorotoluene,,,,,,
1461,"2,4-D isooctyl ester",25168-26-7,DTXSID0020444,,"2,4-D isooctyl ester",,,,,,
1462,Polycaprolactone,25248-42-4,DTXSID50894133,,Polycaprolactone,,,,,,
1463,Dipropylene glycol,25265-71-8,DTXSID0027856,,Dipropylene glycol,,,,,,
1464,Monobenzyl phthalate,2528-16-7,DTXSID9043938,31736,Monobenzyl phthalate,XIKIUQUXDNHBFR-UHFFFAOYSA-N,2-[(Benzyloxy)carbonyl]benzoic acid,OC(=O)C1=C(C=CC=C1)C(=O)OCC1=CC=CC=C1,"InChI=1S/C15H12O4/c16-14(17)12-8-4-5-9-13(12)15(18)19-10-11-6-2-1-3-7-11/h1-9H,10H2,(H,16,17)",C15H12O4,256.0735589
1465,Dibutyl phenyl phosphate,2528-36-1,DTXSID50873428,17312,Dibutyl phenyl phosphate,YICSVBJRVMLQNS-UHFFFAOYSA-N,Dibutyl phenyl phosphate,CCCCOP(=O)(OCCCC)OC1=CC=CC=C1,"InChI=1S/C14H23O4P/c1-3-5-12-16-19(15,17-13-6-4-2)18-14-10-8-7-9-11-14/h7-11H,3-6,12-13H2,1-2H3",C14H23O4P,286.1333962
1466,Trimethoxy[3-(oxiran-2-ylmethoxy)propyl]silane,2530-83-8,DTXSID5027489,17317,Trimethoxy[3-(oxiran-2-ylmethoxy)propyl]silane,BPSIOYPQMFLKFR-UHFFFAOYSA-N,Trimethoxy{3-[(oxiran-2-yl)methoxy]propyl}silane,CO[Si](CCCOCC1CO1)(OC)OC,"InChI=1S/C9H20O5Si/c1-10-15(11-2,12-3)6-4-5-13-7-9-8-14-9/h9H,4-8H2,1-3H3",C9H20O5Si,236.1080003
1467,3-(Trimethoxysilyl)propyl methacrylate,2530-85-0,DTXSID3029237,17318,3-(Trimethoxysilyl)propyl methacrylate,XDLMVUHYZWKMMD-UHFFFAOYSA-N,3-(Trimethoxysilyl)propyl 2-methylprop-2-enoate,CO[Si](CCCOC(=O)C(C)=C)(OC)OC,"InChI=1S/C10H20O5Si/c1-9(2)10(11)15-7-6-8-16(12-3,13-4)14-5/h1,6-8H2,2-5H3",C10H20O5Si,248.1080003
1468,2-Methylphenanthrene,2531-84-2,DTXSID1025649,17321,2-Methylphenanthrene,KANLOADZXMMCQA-UHFFFAOYSA-N,2-Methylphenanthrene,CC1=CC=C2C(C=CC3=CC=CC=C23)=C1,"InChI=1S/C15H12/c1-11-6-9-15-13(10-11)8-7-12-4-2-3-5-14(12)15/h2-10H,1H3",C15H12,192.0939004
1469,Polyethylene glycol,25322-68-3,DTXSID4027862,174,Polyethylene glycol,LYCAIKOWRPUZTN-UHFFFAOYSA-N,,"[H]OCCO |lp:1:2,4:2,Sg:n:1,2,3::ht|","InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2",(C2H4O)nH2O,
1470,"1-Decanol, 10-chloro-, 1-benzoate (ACI)",253317-42-9,,91711800,"1-Decanol, 10-chloro-, 1-benzoate (ACI)",RUTRECRHHBPSSS-UHFFFAOYSA-N,10-chlorodecyl benzoate,O=C(OCCCCCCCCCCCl)C=1C=CC=CC1,"InChI=1S/C17H25ClO2/c18-14-10-5-3-1-2-4-6-11-15-20-17(19)16-12-8-7-9-13-16/h7-9,12-13H,1-6,10-11,14-15H2",C17H25ClO2,296.154
1471,tert-Hexadecyl mercaptan,25360-09-2,DTXSID70948203,,tert-Hexadecyl mercaptan,,,,,,
1472,7-aminoindolin-2-one,25369-32-8,DTXSID90423683,6423312,7-aminoindolin-2-one,RKPBTSNUXKVZPG-UHFFFAOYSA-N,"7-Amino-1,3-dihydro-2H-indol-2-one",NC1=CC=CC2=C1NC(=O)C2,"InChI=1S/C8H8N2O/c9-6-3-1-2-5-4-7(11)10-8(5)6/h1-3H,4,9H2,(H,10,11)",C8H8N2O,148.0636629
1473,Tribromophenol,25376-38-9,DTXSID401055804,,Tribromophenol,,,,,,
1474,"Benzaldehyde, 4-ethoxy-3-hydroxy-",2539-53-9,DTXSID0062505,75679,"Benzaldehyde, 4-ethoxy-3-hydroxy-",BCLVKHGKEGFPJV-UHFFFAOYSA-N,4-Ethoxy-3-hydroxybenzaldehyde,CCOC1=CC=C(C=O)C=C1O,"InChI=1S/C9H10O3/c1-2-12-9-4-3-7(6-10)5-8(9)11/h3-6,11H,2H2,1H3",C9H10O3,166.0629942
1475,Diacetain glycerol,25395-31-7,DTXSID5041223,,Diacetin glycerol,,,,,,
1476,"naphthalene, 1,2,3,4-tetrahydro-1,8-dimethyl-",25419-33-4,DTXSID10880794,32970,"naphthalene, 1,2,3,4-tetrahydro-1,8-dimethyl-",KVNZVXVZQFTXNA-UHFFFAOYSA-N,"1,8-Dimethyl-1,2,3,4-tetrahydronaphthalene",CC1CCCC2=C1C(C)=CC=C2,"InChI=1S/C12H16/c1-9-5-3-7-11-8-4-6-10(2)12(9)11/h3,5,7,10H,4,6,8H2,1-2H3",C12H16,160.1252005
1477,Isodecyl phosphite,25448-25-3,DTXSID3027873,,Isodecyl phosphite,,,,,,
1478,(E)-2-Octenal,2548-87-0,DTXSID40858789,5283324,(E)-2-Octenal,LVBXEMGDVWVTGY-VOTSOKGWSA-N,(2E)-Oct-2-enal,CCCCC\C=C\C=O,"InChI=1S/C8H14O/c1-2-3-4-5-6-7-8-9/h6-8H,2-5H2,1H3/b7-6+",C8H14O,126.1044651
1479,Patchoulane,25491-20-7,DTXSID50858836,138394138,Patchoulane,LWJBGSYDCKNFLU-UHFFFAOYSA-N,"1,9,9-Trimethyloctahydro-1H-3a,7-methanoazulene",CC1CCC23CCCC(CC12)C3(C)C,"InChI=1S/C14H24/c1-10-6-8-14-7-4-5-11(9-12(10)14)13(14,2)3/h10-12H,4-9H2,1-3H3",C14H24,192.1878008
1480,Tripropylene glycol monomethyl ether,25498-49-1,DTXSID2029329,,Tripropylene glycol monomethyl ether,,,,,,
1481,Triethoxypropylsilane,2550-02-9,DTXSID60862984,75691,Triethoxypropylsilane,NBXZNTLFQLUFES-UHFFFAOYSA-N,Triethoxy(propyl)silane,CCC[Si](OCC)(OCC)OCC,"InChI=1S/C9H22O3Si/c1-5-9-13(10-6-2,11-7-3)12-8-4/h5-9H2,1-4H3",C9H22O3Si,206.1338211
1482,Allyltriethoxysilane,2550-04-1,DTXSID4062513,75692,Allyltriethoxysilane,UMFJXASDGBJDEB-UHFFFAOYSA-N,Triethoxy(prop-2-en-1-yl)silane,CCO[Si](CC=C)(OCC)OCC,"InChI=1S/C9H20O3Si/c1-5-9-13(10-6-2,11-7-3)12-8-4/h5H,1,6-9H2,2-4H3",C9H20O3Si,204.118171
1483,Benzylacetone,2550-26-7,DTXSID6033241,17355,Benzylacetone,AKGGYBADQZYZPD-UHFFFAOYSA-N,4-Phenylbutan-2-one,CC(=O)CCC1=CC=CC=C1,"InChI=1S/C10H12O/c1-9(11)7-8-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3",C10H12O,148.088815
1484,"1,1?-trans-1,3-Cyclobutanediylbis[benzene] (ACI)",25558-23-0,,,"1,1?-trans-1,3-Cyclobutanediylbis[benzene] (ACI)",VNQNSLXVQALONT-WKILWMFINA-N,,C=1C=CC(=CC1)C2CC(C=3C=CC=CC3)C2,"InChI=1S/C16H16/c1-3-7-13(8-4-1)15-11-16(12-15)14-9-5-2-6-10-14/h1-10,15-16H,11-12H2",,
1485,"3,3',5,5'-Tetramethylbiphenyl",25570-02-9,DTXSID50334281,520212,"3,3',5,5'-Tetramethylbiphenyl",CMZYGFLOKOQMKF-UHFFFAOYSA-N,"3,3',5,5'-Tetramethyl-1,1'-biphenyl",CC1=CC(=CC(C)=C1)C1=CC(C)=CC(C)=C1,"InChI=1S/C16H18/c1-11-5-12(2)8-15(7-11)16-9-13(3)6-14(4)10-16/h5-10H,1-4H3",C16H18,210.1408506
1486,delta-Tocotrienol,25612-59-3,DTXSID30180288,5282350,delta-Tocotrienol,ODADKLYLWWCHNB-LDYBVBFYSA-N,"(2R)-2,8-Dimethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trien-1-yl]-3,4-dihydro-2H-1-benzopyran-6-ol",CC(C)=CCC\C(C)=C\CC\C(C)=C\CC[C@]1(C)CCC2=C(O1)C(C)=CC(O)=C2,"InChI=1S/C27H40O2/c1-20(2)10-7-11-21(3)12-8-13-22(4)14-9-16-27(6)17-15-24-19-25(28)18-23(5)26(24)29-27/h10,12,14,18-19,28H,7-9,11,13,15-17H2,1-6H3/b21-12+,22-14+/t27-/m1/s1",C27H40O2,396.3028305
1487,"Citric acid, didodecyl ester",25637-88-1,DTXSID80180319,117573,"Citric acid, didodecyl ester",MUURADZHQSPGFN-UHFFFAOYSA-N,4-(Dodecyloxy)-2-[2-(dodecyloxy)-2-oxoethyl]-2-hydroxy-4-oxobutanoic acid,CCCCCCCCCCCCOC(=O)CC(O)(CC(=O)OCCCCCCCCCCCC)C(O)=O,"InChI=1S/C30H56O7/c1-3-5-7-9-11-13-15-17-19-21-23-36-27(31)25-30(35,29(33)34)26-28(32)37-24-22-20-18-16-14-12-10-8-6-4-2/h35H,3-26H2,1-2H3,(H,33,34)",C30H56O7,528.4026041
1488,Hexabromocyclododecane,25637-99-4,DTXSID8025383,,Hexabromocyclododecane,,,,,,
1489,Isopropylbiphenyl,25640-78-2,DTXSID7027881,,Isopropylbiphenyl,,,,,,
1490,"Tris(3,5-xylenyl)phosphate",25653-16-1,DTXSID10274134,33133,"Tris(3,5-xylenyl)phosphate",LLPMAOBOEQFPRE-UHFFFAOYSA-N,"Tris(3,5-dimethylphenyl) phosphate",CC1=CC(OP(=O)(OC2=CC(C)=CC(C)=C2)OC2=CC(C)=CC(C)=C2)=CC(C)=C1,"InChI=1S/C24H27O4P/c1-16-7-17(2)11-22(10-16)26-29(25,27-23-12-18(3)8-19(4)13-23)28-24-14-20(5)9-21(6)15-24/h7-15H,1-6H3",C24H27O4P,410.1646963
1491,Methyl 8-(3-octyloxiran-2-yl)octanoate,2566-91-8,DTXSID50948544,6451414,Methyl 8-(3-octyloxiran-2-yl)octanoate,CAMHHLOGFDZBBG-ZWKOTPCHSA-N,"Methyl 8-[(2R,3S)-3-octyloxiran-2-yl]octanoate",[H][C@@]1(CCCCCCCC)O[C@]1([H])CCCCCCCC(=O)OC,"InChI=1S/C19H36O3/c1-3-4-5-6-8-11-14-17-18(22-17)15-12-9-7-10-13-16-19(20)21-2/h17-18H,3-16H2,1-2H3/t17-,18+/m0/s1",C19H36O3,312.266445
1492,"(9E,12E)-9,12-Octadecadienoic acid methyl ester",2566-97-4,DTXSID90880893,5362793,"(9E,12E)-9,12-Octadecadienoic acid methyl ester",WTTJVINHCBCLGX-ZDVGBALWSA-N,"Methyl (9E,12E)-octadeca-9,12-dienoate",CCCCC\C=C\C\C=C\CCCCCCCC(=O)OC,"InChI=1S/C19H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h7-8,10-11H,3-6,9,12-18H2,1-2H3/b8-7+,11-10+",C19H34O2,294.2558803
1493,"2,4-Pentadienoic acid, 5-[4-(octyloxy)phenyl]-, methyl ester, (2E,4Z)- (ACI)",2567499-95-8,,5372840,"2,4-Pentadienoic acid, 5-[4-(octyloxy)phenyl]-, methyl ester, (2E,4Z)- (ACI)",GIOFWIKYXZMRKU-QABOREQESA-N,"methyl (2E,4Z)-5-(4-octoxyphenyl)penta-2,4-dienoate",O=C(OC)C=CC=CC1=CC=C(OCCCCCCCC)C=C1,"InChI=1S/C20H28O3/c1-3-4-5-6-7-10-17-23-19-15-13-18(14-16-19)11-8-9-12-20(21)22-2/h8-9,11-16H,3-7,10,17H2,1-2H3",C20H28O3,316.204
1494,(Z)-Anethole,25679-28-1,DTXSID4058651,1549040,(Z)-Anethole,RUVINXPYWBROJD-ARJAWSKDSA-N,1-Methoxy-4-[(1Z)-prop-1-en-1-yl]benzene,COC1=CC=C(\C=C/C)C=C1,"InChI=1S/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3-8H,1-2H3/b4-3-",C10H12O,148.088815
1495,"2,4,6-Tris-(2,4,6-tribromophenoxy)-1,3,5-triazine",25713-60-4,DTXSID0058695,91820,"2,4,6-Tris-(2,4,6-tribromophenoxy)-1,3,5-triazine",BDFBPPCACYFGFA-UHFFFAOYSA-N,"2,4,6-Tris(2,4,6-tribromophenoxy)-1,3,5-triazine",BrC1=CC(Br)=C(OC2=NC(OC3=C(Br)C=C(Br)C=C3Br)=NC(OC3=C(Br)C=C(Br)C=C3Br)=N2)C(Br)=C1,InChI=1S/C21H6Br9N3O3/c22-7-1-10(25)16(11(26)2-7)34-19-31-20(35-17-12(27)3-8(23)4-13(17)28)33-21(32-19)36-18-14(29)5-9(24)6-15(18)30/h1-6H,C21H6Br9N3O3,1058.305958
1496,Hexyl decyl phthalate,25724-58-7,DTXSID70874013,33154,Hexyl decyl phthalate,OMQBXAQAHHFSST-UHFFFAOYSA-N,"Decyl hexyl benzene-1,2-dicarboxylate",CCCCCCCCCCOC(=O)C1=C(C=CC=C1)C(=O)OCCCCCC,"InChI=1S/C24H38O4/c1-3-5-7-9-10-11-12-16-20-28-24(26)22-18-14-13-17-21(22)23(25)27-19-15-8-6-4-2/h13-14,17-18H,3-12,15-16,19-20H2,1-2H3",C24H38O4,390.2770097
1497,"Morpholine, 4-tetradecyl-",25727-93-9,DTXSID0067131,117616,"Morpholine, 4-tetradecyl-",JMJDXDJTXDRLAL-UHFFFAOYSA-N,4-Tetradecylmorpholine,CCCCCCCCCCCCCCN1CCOCC1,"InChI=1S/C18H37NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-15-17-20-18-16-19/h2-18H2,1H3",C18H37NO,283.2875148
1498,4-Decylmorpholine,25727-94-0,DTXSID20180414,117617,4-Decylmorpholine,KAXVRMIUQJXONY-UHFFFAOYSA-N,4-Decylmorpholine,CCCCCCCCCCN1CCOCC1,"InChI=1S/C14H29NO/c1-2-3-4-5-6-7-8-9-10-15-11-13-16-14-12-15/h2-14H2,1H3",C14H29NO,227.2249146
1499,C.I. Disperse Orange 1,2581-69-3,DTXSID7062536,17414,C.I. Disperse Orange 1,YFVXLROHJBSEDW-UHFFFAOYSA-N,4-[(4-Nitrophenyl)diazenyl]-N-phenylaniline,[O-][N+](=O)C1=CC=C(C=C1)N=NC1=CC=C(NC2=CC=CC=C2)C=C1,"InChI=1S/C18H14N4O2/c23-22(24)18-12-10-17(11-13-18)21-20-16-8-6-15(7-9-16)19-14-4-2-1-3-5-14/h1-13,19H",C18H14N4O2,318.1116757
1500,"5-(3,3-Dimethyloxiran-2-yl)-3-methylpent-2-enal",25825-47-2,DTXSID70780625,71356492,"5-(3,3-Dimethyloxiran-2-yl)-3-methylpent-2-enal",VZUZJYDKCIVBDN-UHFFFAOYSA-N,"5-(3,3-Dimethyloxiran-2-yl)-3-methylpent-2-enal",CC(CCC1OC1(C)C)=CC=O,"InChI=1S/C10H16O2/c1-8(6-7-11)4-5-9-10(2,3)12-9/h6-7,9H,4-5H2,1-3H3",C10H16O2,168.1150298
1501,Biphenylene,259-79-0,DTXSID3059765,9214,Biphenylene,IFVTZJHWGZSXFD-UHFFFAOYSA-N,Biphenylene,C1=CC=C2C(=C1)C1=CC=CC=C21,InChI=1S/C12H8/c1-2-6-10-9(5-1)11-7-3-4-8-12(10)11/h1-8H,C12H8,152.0626003
1502,"2,4,6,8,10,12,14,16,18-Nonadeoxy-8,10,14,16,18-pentamethyl-D-glycero-L-altro-L-allo-D-talo-nonadecitol (ACI)",259539-23-6,,11386454,"2,4,6,8,10,12,14,16,18-Nonadeoxy-8,10,14,16,18-pentamethyl-D-glycero-L-altro-L-allo-D-talo-nonadecitol (ACI)",DQNJCRHHJPLBRO-QWLUOQEFSA-N,"(2R,3S,4S,5R,6S,7R,9S,10S,11R,12S,13R,15R,17R)-2,4,6,10,12-pentamethylnonadecane-1,3,5,7,9,11,13,15,17,19-decol",OCCC(O)CC(O)CC(O)C(C)C(O)C(C)C(O)CC(O)C(C)C(O)C(C)C(O)C(C)CO,"InChI=1S/C24H50O10/c1-12(11-26)22(32)16(5)24(34)15(4)21(31)10-20(30)14(3)23(33)13(2)19(29)9-18(28)8-17(27)6-7-25/h12-34H,6-11H2,1-5H3",C24H50O10,498.34
1503,"2-(2-Hydroxy-3,5-di-tert-pentylphenyl)benzotriazole",25973-55-1,DTXSID2027886,33263,"2-(2-Hydroxy-3,5-di-tert-pentylphenyl)benzotriazole",ZMWRRFHBXARRRT-UHFFFAOYSA-N,"2-(2H-Benzotriazol-2-yl)-4,6-bis(2-methylbutan-2-yl)phenol",CCC(C)(C)C1=CC(N2N=C3C=CC=CC3=N2)=C(O)C(=C1)C(C)(C)CC,"InChI=1S/C22H29N3O/c1-7-21(3,4)15-13-16(22(5,6)8-2)20(26)19(14-15)25-23-17-11-9-10-12-18(17)24-25/h9-14,26H,7-8H2,1-6H3",C22H29N3O,351.2310626
1504,Acridine,260-94-6,DTXSID8059766,9215,Acridine,DZBUGLKDJFMEHC-UHFFFAOYSA-N,Acridine,C1=CC2=CC3=CC=CC=C3N=C2C=C1,InChI=1S/C13H9N/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12/h1-9H,C13H9N,179.0734993
1505,Bis(2-ethylhexyl) tetrabromophthalate,26040-51-7,DTXSID7027887,117291,Bis(2-ethylhexyl) tetrabromophthalate,UUEDINPOVKWVAZ-UHFFFAOYSA-N,"Bis(2-ethylhexyl) 3,4,5,6-tetrabromobenzene-1,2-dicarboxylate",CCCCC(CC)COC(=O)C1=C(Br)C(Br)=C(Br)C(Br)=C1C(=O)OCC(CC)CCCC,"InChI=1S/C24H34Br4O4/c1-5-9-11-15(7-3)13-31-23(29)17-18(20(26)22(28)21(27)19(17)25)24(30)32-14-16(8-4)12-10-6-2/h15-16H,5-14H2,1-4H3",C24H34Br4O4,701.919062
1506,"2,6-Di-tert-butyl-4-methylene-2,5-cyclohexadienone",2607-52-5,DTXSID70180707,107736,"2,6-Di-tert-butyl-4-methylene-2,5-cyclohexadienone",JJQCWPWUHZFKBN-UHFFFAOYSA-N,"2,6-Di-tert-butyl-4-methylidenecyclohexa-2,5-dien-1-one",CC(C)(C)C1=CC(=C)C=C(C1=O)C(C)(C)C,"InChI=1S/C15H22O/c1-10-8-11(14(2,3)4)13(16)12(9-10)15(5,6)7/h8-9H,1H2,2-7H3",C15H22O,218.1670653
1507,"2,4,6-Trimethylheptane",2613-61-8,DTXSID30180763,137658,"2,4,6-Trimethylheptane",YNLBBDHDNIXQNL-UHFFFAOYSA-N,"2,4,6-Trimethylheptane",CC(C)CC(C)CC(C)C,"InChI=1S/C10H22/c1-8(2)6-10(5)7-9(3)4/h8-10H,6-7H2,1-5H3",C10H22,142.1721507
1508,"(E)-1,2,3-Trimethyl-4-propenylnaphthalene",26137-53-1,DTXSID70872519,5375405,"(E)-1,2,3-Trimethyl-4-propenylnaphthalene",GIAJIAFLVKUTLY-VMPITWQZSA-N,"1,2,3-Trimethyl-4-[(1E)-prop-1-en-1-yl]naphthalene",C\C=C\C1=C2C=CC=CC2=C(C)C(C)=C1C,"InChI=1S/C16H18/c1-5-8-14-12(3)11(2)13(4)15-9-6-7-10-16(14)15/h5-10H,1-4H3/b8-5+",C16H18,210.1408506
1509,5-Chloro-2-methyl-3(2H)-isothiazolone,26172-55-4,DTXSID9034286,33344,5-Chloro-2-methyl-3(2H)-isothiazolone,DHNRXBZYEKSXIM-UHFFFAOYSA-N,"5-Chloro-2-methyl-1,2-thiazol-3(2H)-one",CN1SC(Cl)=CC1=O,"InChI=1S/C4H4ClNOS/c1-6-4(7)2-3(5)8-6/h2H,1H3",C4H4ClNOS,148.9702126
1510,L-Menthyl acetate,2623-23-6,DTXSID7051472,220674,L-Menthyl acetate,XHXUANMFYXWVNG-ADEWGFFLSA-N,"(1R,2S,5R)-5-Methyl-2-(propan-2-yl)cyclohexyl acetate",CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(C)=O,"InChI=1S/C12H22O2/c1-8(2)11-6-5-9(3)7-12(11)14-10(4)13/h8-9,11-12H,5-7H2,1-4H3/t9-,11+,12-/m1/s1",C12H22O2,198.1619799
1511,"2-Pentene, 4,4-dimethyl-",26232-98-4,DTXSID5075078,12721,"2-Pentene, 4,4-dimethyl-",BIDIHFPLDRSAMB-UHFFFAOYSA-N,"4,4-Dimethylpent-2-ene",CC=CC(C)(C)C,"InChI=1S/C7H14/c1-5-6-7(2,3)4/h5-6H,1-4H3",C7H14,98.10955045
1512,Monobromobiphenyl,26264-10-8,DTXSID101336760,,Monobromobiphenyl,,,,,,
1513,Dihydroabietyl alcohol,26266-77-3,DTXSID6051936,21117614,Dihydroabietyl alcohol,FLMIYUXOBAUKJM-IUHBKHCYSA-N,(13xi)-Abiet-8(14)-en-18-ol,[H][C@]12CCC(C=C1CC[C@@]1([H])[C@](C)(CO)CCC[C@]21C)C(C)C,"InChI=1S/C20H34O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h12,14-15,17-18,21H,5-11,13H2,1-4H3/t15?,17-,18-,19-,20+/m0/s1",C20H34O,290.2609657
1514,"1,2-Benzisothiazolin-3-one",2634-33-5,DTXSID5032523,17520,"1,2-Benzisothiazolin-3-one",DMSMPAJRVJJAGA-UHFFFAOYSA-N,"1,2-Benzothiazol-3(2H)-one",O=C1NSC2=C1C=CC=C2,"InChI=1S/C7H5NOS/c9-7-5-3-1-2-4-6(5)10-8-7/h1-4H,(H,8,9)",C7H5NOS,151.009185
1515,2-Mercaptopyridine,2637-34-5,DTXSID9062568,2723698,2-Mercaptopyridine,WHMDPDGBKYUEMW-UHFFFAOYSA-N,Pyridine-2-thiol,SC1=CC=CC=N1,"InChI=1S/C5H5NS/c7-5-3-1-2-4-6-5/h1-4H,(H,6,7)",C5H5NS,111.0142703
1516,1-(Methylphenyl)ethanone,26444-19-9,DTXSID60862222,,1-(Methylphenyl)ethanone,,,,,,
1517,Cresyl diphenyl phosphate,26444-49-5,DTXSID3024861,,Cresyl diphenyl phosphate,,,,,,
1518,(-)-Juvabione,26462-72-6,DTXSID90905035,11054621,(-)-Juvabione,IIWNDLDEVPJIBT-QWHCGFSZSA-N,Methyl (4S)-4-[(2S)-6-methyl-4-oxoheptan-2-yl]cyclohex-1-ene-1-carboxylate,[H][C@@]1(CCC(=CC1)C(=O)OC)[C@@H](C)CC(=O)CC(C)C,"InChI=1S/C16H26O3/c1-11(2)9-15(17)10-12(3)13-5-7-14(8-6-13)16(18)19-4/h7,11-13H,5-6,8-10H2,1-4H3/t12-,13+/m0/s1",C16H26O3,266.1881947
1519,"Butanamide, 4-(dimethylamino)-N-methyl-N-[[(6R,7R)-6,7,8,9,10,11,12,13-octahydro-9-[(1S)-2-hydroxy-1-methylethyl]-7-methyl-10-oxo-4H-[1,2,3]triazolo[5,1-c][1,4,9]oxadiazacyclododecin-6-yl]methyl]-, rel- (ACI)",2650219-78-4,,,"Butanamide, 4-(dimethylamino)-N-methyl-N-[[(6R,7R)-6,7,8,9,10,11,12,13-octahydro-9-[(1S)-2-hydroxy-1-methylethyl]-7-methyl-10-oxo-4H-[1,2,3]triazolo[5,1-c][1,4,9]oxadiazacyclododecin-6-yl]methyl]-, rel- (ACI)",HUEUWTADLJASSZ-YCMVCDJLNA-N,,O=C(N(C)CC1OCC2=CN=NN2CCCC(=O)N(CC1C)C(C)CO)CCCN(C)C,"InChI=1S/C22H40N6O4/c1-17-13-27(18(2)15-29)22(31)9-7-11-28-19(12-23-24-28)16-32-20(17)14-26(5)21(30)8-6-10-25(3)4/h12,17-18,20,29H,6-11,13-16H2,1-5H3",,
1520,"12,14-Heneicosadienoic acid, 16-hydroxy- (ACI)",2651238-23-0,,,"12,14-Heneicosadienoic acid, 16-hydroxy- (ACI)",QOMAELQQSFUYDS-UHFFFAOYSA-N,,O=C(O)CCCCCCCCCCC=CC=CC(O)CCCCC,"InChI=1S/C21H38O3/c1-2-3-14-17-20(22)18-15-12-10-8-6-4-5-7-9-11-13-16-19-21(23)24/h10,12,15,18,20,22H,2-9,11,13-14,16-17,19H2,1H3,(H,23,24)",,
1521,Nonylphenolphosphite(3:1),26523-78-4,DTXSID8027903,,Nonylphenolphosphite(3:1),,,,,,
1522,MCPA-isooctyl,26544-20-7,DTXSID0034306,,MCPA-isooctyl,,,,,,
1523,Tris(4-nonylphenyl) phosphate,26569-53-9,DTXSID90949414,10930538,Tris(4-nonylphenyl) phosphate,JXJBUSBMIXMILT-UHFFFAOYSA-N,Tris(4-nonylphenyl) phosphate,CCCCCCCCCC1=CC=C(OP(=O)(OC2=CC=C(CCCCCCCCC)C=C2)OC2=CC=C(CCCCCCCCC)C=C2)C=C1,"InChI=1S/C45H69O4P/c1-4-7-10-13-16-19-22-25-40-28-34-43(35-29-40)47-50(46,48-44-36-30-41(31-37-44)26-23-20-17-14-11-8-5-2)49-45-38-32-42(33-39-45)27-24-21-18-15-12-9-6-3/h28-39H,4-27H2,1-3H3",C45H69O4P,704.4933477
1524,Bis(octylphenyl)amine,26603-23-6,DTXSID70873102,,Bis(octylphenyl)amine,,,,,,
1525,"2-Oxazolidinone, 4,4-dimethyl-",26654-39-7,DTXSID2074617,141315,"2-Oxazolidinone, 4,4-dimethyl-",SYARCRAQWWGZKY-UHFFFAOYSA-N,"4,4-Dimethyl-1,3-oxazolidin-2-one",CC1(C)COC(=O)N1,"InChI=1S/C5H9NO2/c1-5(2)3-8-4(7)6-5/h3H2,1-2H3,(H,6,7)",C5H9NO2,115.0633285
1526,Glycerol monopalmitate,26657-96-5,DTXSID9042041,,Glycerol monopalmitate,,,,,,
1527,1-Phenyl-4-(1-phenylethyl)tetralin,26681-79-8,DTXSID501298184,12865558,1-Phenyl-4-(1-phenylethyl)tetralin,GJJWHYDGEZUFOW-UHFFFAOYSA-N,"1-Phenyl-4-(1-phenylethyl)-1,2,3,4-tetrahydronaphthalene",CC(C1CCC(C2=CC=CC=C2)C2=C1C=CC=C2)C1=CC=CC=C1,"InChI=1S/C24H24/c1-18(19-10-4-2-5-11-19)21-16-17-22(20-12-6-3-7-13-20)24-15-9-8-14-23(21)24/h2-15,18,21-22H,16-17H2,1H3",C24H24,312.1878008
1528,3-dodecanoyloxypropyl dodecanoate,26719-54-0,DTXSID80336930,537376,3-dodecanoyloxypropyl dodecanoate,RREUCPUHQJKHDY-UHFFFAOYSA-N,"Propane-1,3-diyl didodecanoate",CCCCCCCCCCCC(=O)OCCCOC(=O)CCCCCCCCCCC,"InChI=1S/C27H52O4/c1-3-5-7-9-11-13-15-17-19-22-26(28)30-24-21-25-31-27(29)23-20-18-16-14-12-10-8-6-4-2/h3-25H2,1-2H3",C27H52O4,440.3865602
1529,4-Methyltridecane,26730-12-1,DTXSID1058630,117325,4-Methyltridecane,BPHJCXVZYVVFBT-UHFFFAOYSA-N,4-Methyltridecane,CCCCCCCCCC(C)CCC,"InChI=1S/C14H30/c1-4-6-7-8-9-10-11-13-14(3)12-5-2/h14H,4-13H2,1-3H3",C14H30,198.234751
1530,7-Methyltridecane,26730-14-3,DTXSID40181241,33588,7-Methyltridecane,BHDKLTKHPZWYCV-UHFFFAOYSA-N,7-Methyltridecane,CCCCCCC(C)CCCCCC,"InChI=1S/C14H30/c1-4-6-8-10-12-14(3)13-11-9-7-5-2/h14H,4-13H2,1-3H3",C14H30,198.234751
1531,7-Methylhexadecane,26730-20-1,DTXSID50303513,292733,7-Methylhexadecane,HZRSSYSIMDTFLT-UHFFFAOYSA-N,7-Methylhexadecane,CCCCCCCCCC(C)CCCCCC,"InChI=1S/C17H36/c1-4-6-8-10-11-12-14-16-17(3)15-13-9-7-5-2/h17H,4-16H2,1-3H3",C17H36,240.2817012
1532,5-Methylheptadecane,26730-95-0,DTXSID80949544,185593,5-Methylheptadecane,WHUUMUMJALVXPL-UHFFFAOYSA-N,5-Methylheptadecane,CCCCCCCCCCCCC(C)CCCC,"InChI=1S/C18H38/c1-4-6-8-9-10-11-12-13-14-15-17-18(3)16-7-5-2/h18H,4-17H2,1-3H3",C18H38,254.2973512
1533,"Bis(2,4-di-tert-butylphenyl) pentaerythritol diphosphite",26741-53-7,DTXSID2027911,93101,"Bis(2,4-di-tert-butylphenyl) pentaerythritol diphosphite",AIBRSVLEQRWAEG-UHFFFAOYSA-N,"3,9-Bis(2,4-di-tert-butylphenoxy)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane",CC(C)(C)C1=CC(=C(OP2OCC3(CO2)COP(OC2=C(C=C(C=C2)C(C)(C)C)C(C)(C)C)OC3)C=C1)C(C)(C)C,"InChI=1S/C33H50O6P2/c1-29(2,3)23-13-15-27(25(17-23)31(7,8)9)38-40-34-19-33(20-35-40)21-36-41(37-22-33)39-28-16-14-24(30(4,5)6)18-26(28)32(10,11)12/h13-18H,19-22H2,1-12H3",C33H50O6P2,604.3082633
1534,"Methyl octadeca-6,9,12-trienoate",2676-41-7,DTXSID30949574,146287,"Methyl octadeca-6,9,12-trienoate",JFRWATCOFCPIBM-UHFFFAOYSA-N,"Methyl octadeca-6,9,12-trienoate",CCCCCC=CCC=CCC=CCCCCC(=O)OC,"InChI=1S/C19H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h7-8,10-11,13-14H,3-6,9,12,15-18H2,1-2H3",C19H32O2,292.2402303
1535,Diisodecyl phthalate,26761-40-0,DTXSID4025082,,Diisodecyl phthalate,,,,,,
1536,"Cadina-3,5-diene",267665-20-3,,91723677,"Cadina-3,5-diene",JOCWPECWTZZSSX-IHRRRGAJSA-N,"(1S,4S,4aS)-4,7-dimethyl-1-propan-2-yl-1,2,3,4,4a,5-hexahydronaphthalene",C=1C(=CCC2C1C(CCC2C)C(C)C)C,"InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5,9-10,12-14H,6-8H2,1-4H3",C15H24,204.188
1537,"1,2-Dihydro-2,2,4-trimethylquinoline, polymer",26780-96-1,DTXSID5025071,,"1,2-Dihydro-2,2,4-trimethylquinoline, polymer",,,,,,
1538,"Naphtho(2,3-b)thiophene",268-77-9,DTXSID60181304,67497,"Naphtho(2,3-b)thiophene",CYKIHIBNSFRKQP-UHFFFAOYSA-N,"Naphtho[2,3-b]thiophene",S1C=CC2=CC3=CC=CC=C3C=C12,InChI=1S/C12H8S/c1-2-4-10-8-12-11(5-6-13-12)7-9(10)3-1/h1-8H,C12H8S,184.0346714
1539,2-Methyl-3(2H)-isothiazolone,2682-20-4,DTXSID2034259,39800,2-Methyl-3(2H)-isothiazolone,BEGLCMHJXHIJLR-UHFFFAOYSA-N,"2-Methyl-1,2-thiazol-3(2H)-one",CN1SC=CC1=O,"InChI=1S/C4H5NOS/c1-5-4(6)2-3-7-5/h2-3H,1H3",C4H5NOS,115.009185
1540,Neodecanoic acid,26896-20-8,DTXSID7027916,,Neodecanoic acid,,,,,,
1541,Tetradecene,26952-13-6,DTXSID701014475,,Tetradecene,,,,,,
1542,Hexadecene,26952-14-7,DTXSID90912325,,Hexadecene,,,,,,
1543,Isooctanol,26952-21-6,DTXSID2044634,,Isooctanol,,,,,,
1544,Tris(isopropylphenyl) phosphate,26967-76-0,DTXSID50858795,,Tris(isopropylphenyl) phosphate,,,,,,
1545,Prop-2-en-1-yl 3-cyclohexylpropanoate,2705-87-5,DTXSID8044755,17617,Prop-2-en-1-yl 3-cyclohexylpropanoate,TWXUTZNBHUWMKJ-UHFFFAOYSA-N,Prop-2-en-1-yl 3-cyclohexylpropanoate,C=CCOC(=O)CCC1CCCCC1,"InChI=1S/C12H20O2/c1-2-10-14-12(13)9-8-11-6-4-3-5-7-11/h2,11H,1,3-10H2",C12H20O2,196.1463299
1546,Octadecene,27070-58-2,DTXSID0040250,,Octadecene,,,,,,
1547,"Dipropylene glycol, dibenzoate",27138-31-4,DTXSID6027921,,"Dipropylene glycol, dibenzoate",,,,,,
1548,Hexachlorocyclohexane,27154-44-5,DTXSID80891695,,Hexachlorocyclohexane,,,,,,
1549,"1,4,5,8-Tetramethylnaphthalene",2717-39-7,DTXSID60873252,137689,"1,4,5,8-Tetramethylnaphthalene",DWUSGRRPJCRNCI-UHFFFAOYSA-N,"1,4,5,8-Tetramethylnaphthalene",CC1=CC=C(C)C2=C1C(C)=CC=C2C,"InChI=1S/C14H16/c1-9-5-6-11(3)14-12(4)8-7-10(2)13(9)14/h5-8H,1-4H3
",C14H16,184.1252005
1550,Diisodecyl hexanedioate,27178-16-1,DTXSID1027924,,Diisodecyl hexanedioate,,,,,,
1551,"BENZENE, (1-METHYLUNDECYL)-",2719-61-1,DTXSID50875104,17628,"BENZENE, (1-METHYLUNDECYL)-",VRPRIAVYSREHAN-UHFFFAOYSA-N,(Dodecan-2-yl)benzene,CCCCCCCCCCC(C)C1=CC=CC=C1,"InChI=1S/C18H30/c1-3-4-5-6-7-8-9-11-14-17(2)18-15-12-10-13-16-18/h10,12-13,15-17H,3-9,11,14H2,1-2H3",C18H30,246.234751
1552,"BENZENE, (1-PENTYLHEPTYL)-",2719-62-2,DTXSID70875106,17629,"BENZENE, (1-PENTYLHEPTYL)-",ZYHJQFMTTFCBKH-UHFFFAOYSA-N,(Dodecan-6-yl)benzene,CCCCCCC(CCCCC)C1=CC=CC=C1,"InChI=1S/C18H30/c1-3-5-7-10-14-17(13-9-6-4-2)18-15-11-8-12-16-18/h8,11-12,15-17H,3-7,9-10,13-14H2,1-2H3",C18H30,246.234751
1553,"BENZENE, (1-BUTYLOCTYL)-",2719-63-3,DTXSID30875107,17630,"BENZENE, (1-BUTYLOCTYL)-",NPAWGLOPXKCTCV-UHFFFAOYSA-N,(Dodecan-5-yl)benzene,CCCCCCCC(CCCC)C1=CC=CC=C1,"InChI=1S/C18H30/c1-3-5-7-8-10-14-17(13-6-4-2)18-15-11-9-12-16-18/h9,11-12,15-17H,3-8,10,13-14H2,1-2H3",C18H30,246.234751
1554,(1-PROPYLNONYL)BENZENE,2719-64-4,DTXSID10875105,17631,(1-PROPYLNONYL)BENZENE,RHDHXBLZBVAPTL-UHFFFAOYSA-N,(Dodecan-4-yl)benzene,CCCCCCCCC(CCC)C1=CC=CC=C1,"InChI=1S/C18H30/c1-3-5-6-7-8-10-14-17(13-4-2)18-15-11-9-12-16-18/h9,11-12,15-17H,3-8,10,13-14H2,1-2H3",C18H30,246.234751
1555,"BENZAMIDE, N,N-DIETHYL-4-METHYL-",2728-05-4,DTXSID40876903,75946,"BENZAMIDE, N,N-DIETHYL-4-METHYL-",PUZORFQMRDHKBT-UHFFFAOYSA-N,"N,N-Diethyl-4-methylbenzamide",CCN(CC)C(=O)C1=CC=C(C)C=C1,"InChI=1S/C12H17NO/c1-4-13(5-2)12(14)11-8-6-10(3)7-9-11/h6-9H,4-5H2,1-3H3",C12H17NO,191.1310142
1556,Laureth-7 carboxylic acid,27306-90-7,DTXSID70181754,154267,Laureth-7 carboxylic acid,OUNZARDETXBPIX-UHFFFAOYSA-N,[2-(Dodecyloxy)ethoxy]acetic acid,CCCCCCCCCCCCOCCOCC(O)=O,"InChI=1S/C16H32O4/c1-2-3-4-5-6-7-8-9-10-11-12-19-13-14-20-15-16(17)18/h2-15H2,1H3,(H,17,18)",C16H32O4,288.2300595
1557,"Methyl (5Z,8Z,11Z,14Z,17Z)-eicosa-5,8,11,14,17-pentaenoate",2734-47-6,DTXSID401016222,6421261,Icosapent methyl,QWDCYFDDFPWISL-JEBPEJKESA-N,"Methyl (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate",CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC,"InChI=1S/C21H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-2/h4-5,7-8,10-11,13-14,16-17H,3,6,9,12,15,18-20H2,1-2H3/b5-4-,8-7-,11-10-,14-13-,17-16-",C21H32O2,316.2402303
1558,Eicosene,27400-78-8,DTXSID201014494,,Eicosene,,,,,,
1559,Octanone,27457-18-7,DTXSID501027886,,Octanone,,,,,,
1560,Dibromobiphenyl,27479-65-8,DTXSID801336761,,Dibromobiphenyl,,,,,,
1561,Azulene,275-51-4,DTXSID2059770,9231,Azulene,CUFNKYGDVFVPHO-UHFFFAOYSA-N,Azulene,C1=CC2=CC=CC=CC2=C1,InChI=1S/C10H8/c1-2-5-9-7-4-8-10(9)6-3-1/h1-8H,C10H8,128.0626003
1562,Butyl diphenyl phosphate,2752-95-6,DTXSID1062623,17682,Butyl diphenyl phosphate,DIBUFQMCUZYQKN-UHFFFAOYSA-N,Butyl diphenyl phosphate,CCCCOP(=O)(OC1=CC=CC=C1)OC1=CC=CC=C1,"InChI=1S/C16H19O4P/c1-2-3-14-18-21(17,19-15-10-6-4-7-11-15)20-16-12-8-5-9-13-16/h4-13H,2-3,14H2,1H3",C16H19O4P,306.1020961
1563,"2,3-Dimethyl-1-phenylnaphthalene (ACI)",27521-96-6,,13610179,"2,3-Dimethyl-1-phenylnaphthalene (ACI)",HOWBPCMQSAYSRQ-UHFFFAOYSA-N,"2,3-dimethyl-1-phenylnaphthalene",C=1C=CC(=CC1)C=2C=3C=CC=CC3C=C(C2C)C,"InChI=1S/C18H16/c1-13-12-16-10-6-7-11-17(16)18(14(13)2)15-8-4-3-5-9-15/h3-12H,1-2H3",C18H16,232.125
1564,Diisooctyl phthalate,27554-26-3,DTXSID0027933,,Diisooctyl phthalate,,,,,,
1565,1-(Cyclohexylcarbonyl)piperazine,27561-62-2,DTXSID20392479,3437502,1-(Cyclohexylcarbonyl)piperazine,ZSZROXCAFYZNHE-UHFFFAOYSA-N,Cyclohexyl(piperazin-1-yl)methanone,O=C(C1CCCCC1)N1CCNCC1,"InChI=1S/C11H20N2O/c14-11(10-4-2-1-3-5-10)13-8-6-12-7-9-13/h10,12H,1-9H2",C11H20N2O,196.1575633
1566,3-Methyl-2-cyclopenten-1-one,2758-18-1,DTXSID1062629,17691,3-Methyl-2-cyclopenten-1-one,CHCCBPDEADMNCI-UHFFFAOYSA-N,3-Methylcyclopent-2-en-1-one,CC1=CC(=O)CC1,"InChI=1S/C6H8O/c1-5-2-3-6(7)4-5/h4H,2-3H2,1H3",C6H8O,96.05751488
1567,Triethoxypentylsilane,2761-24-2,DTXSID1042491,17695,Triethoxypentylsilane,FHVAUDREWWXPRW-UHFFFAOYSA-N,Triethoxy(pentyl)silane,CCCCC[Si](OCC)(OCC)OCC,"InChI=1S/C11H26O3Si/c1-5-9-10-11-15(12-6-2,13-7-3)14-8-4/h5-11H2,1-4H3",C11H26O3Si,234.1651212
1568,6:2 Fluorotelomer sulfonic acid,27619-97-2,DTXSID6067331,119688,6:2 Fluorotelomer sulfonic acid,VIONGDJUYAYOPU-UHFFFAOYSA-N,"3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctane-1-sulfonic acid",OS(=O)(=O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1S/C8H5F13O3S/c9-3(10,1-2-25(22,23)24)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)21/h1-2H2,(H,22,23,24)",C8H5F13O3S,427.9751813
1569,Name Not Yet Assigned,2763072-25-7,,44585846,Name Not Yet Assigned,FWVGXRFGTDNWQB-NBXYRGRJSA-N,"(2R)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[2-[(3R)-3-[[(2S)-2-[[(2S)-2-[[2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-phenylpropanoyl]amino]-3-methyl-3-sulfanylbutanoyl]amino]-3-hydroxybutanoyl]amino]acetyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-2-oxoazepan-1-yl]acetyl]-methylamino]-4-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-sulfanylpropanoic acid",O=C(O)C(NC(=O)C1N(C(=O)C(NC(=O)C(N(C(=O)CN2C(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(N)CCCNC(=N)N)CC=3C=CC=CC3)C(S)(C)C)C(O)C)CC4=CN=CN4)CC=5C=CC=CC5)CCCC2)C)CC(C)C)CC6=CC=C(O)C=C6)CCC1)CS,"InChI=1S/C73H104N18O16S2/c1-41(2)31-56(66(101)85-53(34-45-24-26-47(93)27-25-45)70(105)91-30-16-23-55(91)65(100)86-54(39-108)71(106)107)89(6)58(95)38-90-29-14-13-22-49(69(90)104)82-62(97)50(32-43-17-9-7-10-18-43)84-63(98)52(35-46-36-77-40-80-46)81-57(94)37-79-67(102)59(42(3)92)87-68(103)60(73(4,5)109)88-64(99)51(33-44-19-11-8-12-20-44)83-61(96)48(74)21-15-28-78-72(75)76/h7-12,17-20,24-27,36,40-42,48-56,59-60,92-93,108-109H,13-16,21-23,28-35,37-39,74H2,1-6H3,(H,77,80)(H,79,102)(H,81,94)(H,82,97)(H,83,96)(H,84,98)(H,85,101)(H,86,100)(H,87,103)(H,88,99)(H,106,107)(H4,75,76,78)",C73H104N18O16S2,1552.73
1570,Pentadecanal,2765-11-9,DTXSID5062633,17697,Pentadecanal,XGQJZNCFDLXSIJ-UHFFFAOYSA-N,Pentadecanal,CCCCCCCCCCCCCCC=O,"InChI=1S/C15H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h15H,2-14H2,1H3",C15H30O,226.2296656
1571,"1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]-",27676-62-6,DTXSID0027935,93115,Irganox 3114,VNQNXQYZMPJLQX-UHFFFAOYSA-N,"1,3,5-Tris[(3,5-di-tert-butyl-4-hydroxyphenyl)methyl]-1,3,5-triazinane-2,4,6-trione",CC(C)(C)C1=CC(CN2C(=O)N(CC3=CC(=C(O)C(=C3)C(C)(C)C)C(C)(C)C)C(=O)N(CC3=CC(=C(O)C(=C3)C(C)(C)C)C(C)(C)C)C2=O)=CC(=C1O)C(C)(C)C,"InChI=1S/C48H69N3O6/c1-43(2,3)31-19-28(20-32(37(31)52)44(4,5)6)25-49-40(55)50(26-29-21-33(45(7,8)9)38(53)34(22-29)46(10,11)12)42(57)51(41(49)56)27-30-23-35(47(13,14)15)39(54)36(24-30)48(16,17)18/h19-24,52-54H,25-27H2,1-18H3",C48H69N3O6,783.518637
1572,Vinyltrimethoxysilane,2768-02-7,DTXSID2029240,76004,Vinyltrimethoxysilane,NKSJNEHGWDZZQF-UHFFFAOYSA-N,Ethenyl(trimethoxy)silane,CO[Si](OC)(OC)C=C,"InChI=1S/C5H12O3Si/c1-5-9(6-2,7-3)8-4/h5H,1H2,2-4H3",C5H12O3Si,148.0555708
1573,"2,4-Bis(1-methyl-1-phenylethyl)phenol",2772-45-4,DTXSID7029241,76013,"2,4-Bis(1-methyl-1-phenylethyl)phenol",FMUYQRFTLHAARI-UHFFFAOYSA-N,"2,4-Bis(2-phenylpropan-2-yl)phenol",CC(C)(C1=CC=CC=C1)C1=CC(=C(O)C=C1)C(C)(C)C1=CC=CC=C1,"InChI=1S/C24H26O/c1-23(2,18-11-7-5-8-12-18)20-15-16-22(25)21(17-20)24(3,4)19-13-9-6-10-14-19/h5-17,25H,1-4H3",C24H26O,330.1983655
1574,Nonabromobiphenyl,27753-52-2,DTXSID8021068,,Nonabromobiphenyl,,,,,,
1575,Methyl 10-undecynoate,2777-66-4,DTXSID70339157,554128,Methyl 10-undecynoate,TXFNJLOAXFOJGK-UHFFFAOYSA-N,Methyl undec-10-ynoate,COC(=O)CCCCCCCCC#C,"InChI=1S/C12H20O2/c1-3-4-5-6-7-8-9-10-11-12(13)14-2/h1H,4-11H2,2H3
",C12H20O2,196.1463299
1576,"2-Methyl-1,3,6-trioxocane",2781-01-3,DTXSID20182130,76020,"2-Methyl-1,3,6-trioxocane",GIKNJVNWABGPEE-UHFFFAOYSA-N,"2-Methyl-1,3,6-trioxocane",CC1OCCOCCO1,"InChI=1S/C6H12O3/c1-6-8-4-2-7-3-5-9-6/h6H,2-5H2,1H3
",C6H12O3,132.0786442
1577,"benzene, (1,1-dimethyldecyl)-",27854-40-6,DTXSID90880696,576716,"benzene, (1,1-dimethyldecyl)-",FZUMQFUHECRZDF-UHFFFAOYSA-N,(2-Methylundecan-2-yl)benzene,CCCCCCCCCC(C)(C)C1=CC=CC=C1,"InChI=1S/C18H30/c1-4-5-6-7-8-9-13-16-18(2,3)17-14-11-10-12-15-17/h10-12,14-15H,4-9,13,16H2,1-3H3
",C18H30,246.234751
1578,"tridecane, 2-methyl-2-phenyl-",27854-41-7,DTXSID50880697,576717,"tridecane, 2-methyl-2-phenyl-",OTRFLMSAPMGKLY-UHFFFAOYSA-N,(2-Methyltridecan-2-yl)benzene,CCCCCCCCCCCC(C)(C)C1=CC=CC=C1,"InChI=1S/C20H34/c1-4-5-6-7-8-9-10-11-15-18-20(2,3)19-16-13-12-14-17-19/h12-14,16-17H,4-11,15,18H2,1-3H3
",C20H34,274.2660511
1579,Octabromobiphenyl,27858-07-7,DTXSID001016751,,Octabromobiphenyl,,,,,C12H2Br8,777.362354
1580,"1,4-Diazabicyclo[2.2.2]octane",280-57-9,DTXSID0022016,9237,"1,4-Diazabicyclo[2.2.2]octane",IMNIMPAHZVJRPE-UHFFFAOYSA-N,"1,4-Diazabicyclo[2.2.2]octane",C1CN2CCN1CC2,InChI=1S/C6H12N2/c1-2-8-5-3-7(1)4-6-8/h1-6H2,C6H12N2,112.1000484
1581,"2,4-Dimethyldecane",2801-84-5,DTXSID30950701,520357,"2,4-Dimethyldecane",OJAFXEXESSNPMH-UHFFFAOYSA-N,"2,4-Dimethyldecane",CCCCCCC(C)CC(C)C,"InChI=1S/C12H26/c1-5-6-7-8-9-12(4)10-11(2)3/h11-12H,5-10H2,1-4H3",C12H26,170.2034508
1582,4-Methylpentadecane,2801-87-8,DTXSID90950702,17751,4-Methylpentadecane,ODDVOCXSLXTIIU-UHFFFAOYSA-N,4-Methylpentadecane,CCCCCCCCCCCC(C)CCC,"InChI=1S/C16H34/c1-4-6-7-8-9-10-11-12-13-15-16(3)14-5-2/h16H,4-15H2,1-3H3",C16H34,226.2660511
1583,"1,2-Diethyl-3,4-dimethylbenzene",28013-18-5,DTXSID40343529,590292,"1,2-Diethyl-3,4-dimethylbenzene",FAWZMJHFENIDPI-UHFFFAOYSA-N,"1,2-Diethyl-3,4-dimethylbenzene",CCC1=C(CC)C(C)=C(C)C=C1,"InChI=1S/C12H18/c1-5-11-8-7-9(3)10(4)12(11)6-2/h7-8H,5-6H2,1-4H3",C12H18,162.1408506
1584,"1H-Pyrazole, 4,5-dihydro-4,5-dimethyl-",28019-94-5,DTXSID90339735,558148,"1H-Pyrazole, 4,5-dihydro-4,5-dimethyl-",SOAGQMUXRXXXPM-UHFFFAOYSA-N,"4,5-Dimethyl-4,5-dihydro-1H-pyrazole",CC1NN=CC1C,"InChI=1S/C5H10N2/c1-4-3-6-7-5(4)2/h3-5,7H,1-2H3",C5H10N2,98.08439833
1585,"1,2-Benzenedicarboxylic acid, 1,2-bis(1-methylnonyl) ester (ACI)",28029-89-2,,15651772,"1,2-Benzenedicarboxylic acid, 1,2-bis(1-methylnonyl) ester (ACI)",CZTAPVBKUXXDLY-UHFFFAOYSA-N,"didecan-2-yl benzene-1,2-dicarboxylate",O=C(OC(C)CCCCCCCC)C=1C=CC=CC1C(=O)OC(C)CCCCCCCC,"InChI=1S/C28H46O4/c1-5-7-9-11-13-15-19-23(3)31-27(29)25-21-17-18-22-26(25)28(30)32-24(4)20-16-14-12-10-8-6-2/h17-18,21-24H,5-16,19-20H2,1-4H3",C28H46O4,446.34
1586,trans-anti-trans-tetra-decahydroanthracene,28071-99-0,DTXSID50880672,93034,trans-anti-trans-tetra-decahydroanthracene,GVJFFQYXVOJXFI-UHFFFAOYSA-N,Tetradecahydroanthracene,C1CCC2CC3CCCCC3CC2C1,"InChI=1S/C14H24/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1/h11-14H,1-10H2",C14H24,192.1878008
1587,Etidronic acid,2809-21-4,DTXSID6023028,3305,Etidronic acid,DBVJJBKOTRCVKF-UHFFFAOYSA-N,"(1-Hydroxyethane-1,1-diyl)bis(phosphonic acid)",CC(O)(P(O)(O)=O)P(O)(O)=O,"InChI=1S/C2H8O7P2/c1-2(3,10(4,5)6)11(7,8)9/h3H,1H3,(H2,4,5,6)(H2,7,8,9)",C2H8O7P2,205.9745266
1588,Adamantane,281-23-2,DTXSID5022017,9238,Adamantane,ORILYTVJVMAKLC-UHFFFAOYSA-N,Adamantane,C1C2CC3CC1CC(C2)C3,"InChI=1S/C10H16/c1-7-2-9-4-8(1)5-10(3-7)6-9/h7-10H,1-6H2",C10H16,136.1252005
1589,Isopropyl phenyl diphenyl phosphate,28108-99-8,DTXSID6025484,,Isopropyl phenyl diphenyl phosphate,,,,,,
1590,"1,3-Dimethyl-5-(phenylmethyl)benzene (ACI)",28122-27-2,DTXSID201351034,119824,"1-Benzyl-3,5-dimethylbenzene",RZCMUIOJBYCKPG-UHFFFAOYSA-N,,CC1=CC(CC2=CC=CC=C2)=CC(C)=C1,"InChI=1S/C15H16/c1-12-8-13(2)10-15(9-12)11-14-6-4-3-5-7-14/h3-10H,11H2,1-2H3",C15H16,196.1252005
1592,"2,3,6-Tribromophenol",28165-57-3,DTXSID90543390,13545452,"2,3,6-Tribromophenol",VCNCNAPAHSSWCI-UHFFFAOYSA-N,"2,3,6-Tribromophenol",OC1=C(Br)C=CC(Br)=C1Br,"InChI=1S/C6H3Br3O/c7-3-1-2-4(8)6(10)5(3)9/h1-2,10H",C6H3Br3O,327.773404
1593,Proximphan,2828-42-4,DTXSID70182529,17808,Proximphan,LATYTXGNKNKTDS-UHFFFAOYSA-N,Anilino{[(propan-2-ylidene)amino]oxy}methanone,CC(C)=NOC(=O)NC1=CC=CC=C1,"InChI=1S/C10H12N2O2/c1-8(2)12-14-10(13)11-9-6-4-3-5-7-9/h3-7H,1-2H3,(H,11,13)",C10H12N2O2,192.0898776
1594,?-Acorenol,28296-85-7,,101306697,?-Acorenol,XDVDHFJMCJWDPI-VNHYZAJKSA-N,"2-[(1R,4R,5S)-1,8-dimethylspiro[4.5]dec-8-en-4-yl]propan-2-ol",OC(C)(C)C1CCC(C)C21CC=C(C)CC2,"InChI=1S/C15H26O/c1-11-7-9-15(10-8-11)12(2)5-6-13(15)14(3,4)16/h7,12-13,16H,5-6,8-10H2,1-4H3",C15H26O,222.198
1595,"2-Naphthalenol, 1-amino-",2834-92-6,DTXSID20883897,14535,1-Amino-2-naphthalenol,FHMMQQXRSYSWCM-UHFFFAOYSA-N,1-Aminonaphthalen-2-ol,NC1=C(O)C=CC2=C1C=CC=C2,"InChI=1S/C10H9NO/c11-10-8-4-2-1-3-7(8)5-6-9(10)12/h1-6,12H,11H2",C10H9NO,159.0684139
1596,2-(2-(2-Hydroxyethoxy)ethoxy)ethyl octanoate,28397-10-6,DTXSID30182621,119948,2-(2-(2-Hydroxyethoxy)ethoxy)ethyl octanoate,YIXVNSVLWYQVSM-UHFFFAOYSA-N,2-[2-(2-Hydroxyethoxy)ethoxy]ethyl octanoate,CCCCCCCC(=O)OCCOCCOCCO,"InChI=1S/C14H28O5/c1-2-3-4-5-6-7-14(16)19-13-12-18-11-10-17-9-8-15/h15H,2-13H2,1H3",C14H28O5,276.193674
1597,4-Methyldecane,2847-72-5,DTXSID40863035,17835,4-Methyldecane,DVWZNKLWPILULD-UHFFFAOYSA-N,4-Methyldecane,CCCCCCC(C)CCC,"InChI=1S/C11H24/c1-4-6-7-8-10-11(3)9-5-2/h11H,4-10H2,1-3H3",C11H24,156.1878008
1598,Dibromophenol,28514-45-6,DTXSID20951202,,Dibromophenol,,,,,,
1599,"1-Chloro-3,3-dimethylbutane",2855-08-5,DTXSID90182768,76111,"1-Chloro-3,3-dimethylbutane",XGCKOSFYXBAPQM-UHFFFAOYSA-N,"1-Chloro-3,3-dimethylbutane",CC(C)(C)CCCl,"InChI=1S/C6H13Cl/c1-6(2,3)4-5-7/h4-5H2,1-3H3",C6H13Cl,120.0705781
1600,Diisononyl phthalate,28553-12-0,DTXSID4022521,,Diisononyl phthalate,,,,,,
1601,"Benzene, 2-isocyanato-1,3-dimethyl-",28556-81-2,DTXSID0067397,98787,"Benzene, 2-isocyanato-1,3-dimethyl-",YQLRKXVEALTVCZ-UHFFFAOYSA-N,"2-Isocyanato-1,3-dimethylbenzene",CC1=CC=CC(C)=C1N=C=O,"InChI=1S/C9H9NO/c1-7-4-3-5-8(2)9(7)10-6-11/h3-5H,1-2H3
",C9H9NO,147.0684139
1602,"Acetophenone, dihydroxy-",28631-86-9,DTXSID40894167,,"Acetophenone, dihydroxy-",,,,,,
1603,10-Chlorophenoxarsine,2865-70-5,DTXSID6062674,17865,10-Chlorophenoxarsine,RUZFPOBOXIDMSZ-UHFFFAOYSA-N,10-Chloro-10H-phenoxarsinine,Cl[As]1C2=CC=CC=C2OC2=C1C=CC=C2,"InChI=1S/C12H8AsClO/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1-8H
",C12H8AsClO,277.947963
1604,"Methyl-1,1'-biphenyl",28652-72-4,DTXSID0025575,,"Methyl-1,1'-biphenyl",,,,,,
1605,Trimethylnaphthalene,28652-77-9,DTXSID70904162,,Trimethylnaphthalene,,,,,,
1606,"4,5-Dimethyl-3-hydroxy-2,5-dihydrofuran-2-one",28664-35-9,DTXSID4047674,62835,"4,5-Dimethyl-3-hydroxy-2,5-dihydrofuran-2-one",UNYNVICDCJHOPO-UHFFFAOYSA-N,"3-Hydroxy-4,5-dimethylfuran-2(5H)-one",CC1OC(=O)C(O)=C1C,"InChI=1S/C6H8O3/c1-3-4(2)9-6(8)5(3)7/h4,7H,1-2H3",C6H8O3,128.0473441
1607,"Bicyclo[3.1.0]hex-2-ene, 2-methyl-5-(1-methylethyl)-",2867-05-2,DTXSID20863038,17868,"Bicyclo[3.1.0]hex-2-ene, 2-methyl-5-(1-methylethyl)-",KQAZVFVOEIRWHN-UHFFFAOYSA-N,2-Methyl-5-(propan-2-yl)bicyclo[3.1.0]hex-2-ene,CC(C)C12CC1C(C)=CC2,"InChI=1S/C10H16/c1-7(2)10-5-4-8(3)9(10)6-10/h4,7,9H,5-6H2,1-3H3",C10H16,136.1252005
1608,1-Methyltriphenylene,2871-91-2,DTXSID40951360,76131,1-Methyltriphenylene,DUFXBFANDZVWSR-UHFFFAOYSA-N,1-Methyltriphenylene,CC1=C2C3=CC=CC=C3C3=CC=CC=C3C2=CC=C1,"InChI=1S/C19H14/c1-13-7-6-12-18-16-9-3-2-8-14(16)15-10-4-5-11-17(15)19(13)18/h2-12H,1H3",C19H14,242.1095505
1609,"9,10-Anthracenedione, 1,4-diamino-2-methoxy-",2872-48-2,DTXSID1062677,17885,"9,10-Anthracenedione, 1,4-diamino-2-methoxy-",TUXJTJITXCHUEL-UHFFFAOYSA-N,"1,4-Diamino-2-methoxyanthracene-9,10-dione",COC1=C(N)C2=C(C(N)=C1)C(=O)C1=CC=CC=C1C2=O,"InChI=1S/C15H12N2O3/c1-20-10-6-9(16)11-12(13(10)17)15(19)8-5-3-2-4-7(8)14(11)18/h2-6H,16-17H2,1H3",C15H12N2O3,268.0847923
1610,"Benzaldehyde, 4-propyl-",28785-06-0,DTXSID6067412,120047,"Benzaldehyde, 4-propyl-",MAUCRURSQMOFGV-UHFFFAOYSA-N,4-Propylbenzaldehyde,CCCC1=CC=C(C=O)C=C1,"InChI=1S/C10H12O/c1-2-3-9-4-6-10(8-11)7-5-9/h4-8H,2-3H2,1H3",C10H12O,148.088815
1611,Imidazole,288-32-4,DTXSID2029616,795,Imidazole,RAXXELZNTBOGNW-UHFFFAOYSA-N,1H-Imidazole,N1C=CN=C1,"InChI=1S/C3H4N2/c1-2-5-3-4-1/h1-3H,(H,4,5)",C3H4N2,68.03744814
1612,Dimethylnaphthalene,28804-88-8,DTXSID7025130,,Dimethylnaphthalene,,,,,,
1613,"pentadecane, 3-methyl-",2882-96-4,DTXSID30880751,17899,"pentadecane, 3-methyl-",FWXKCXJPHSAYMK-UHFFFAOYSA-N,3-Methylpentadecane,CCCCCCCCCCCCC(C)CC,"InChI=1S/C16H34/c1-4-6-7-8-9-10-11-12-13-14-15-16(3)5-2/h16H,4-15H2,1-3H3",C16H34,226.2660511
1614,N-hydroxy-N'-[2-(trifluoromethyl)phenyl]pyridine-3-carboximidamide,288246-53-7,DTXSID601017171,550559,N-hydroxy-N'-[2-(trifluoromethyl)phenyl]pyridine-3-carboximidamide,QBQQPVCKEDSAHQ-UHFFFAOYSA-N,N-Hydroxy-N'-[2-(trifluoromethyl)phenyl]pyridine-3-carboximidamide,ONC(=NC1=C(C=CC=C1)C(F)(F)F)C1=CN=CC=C1,"InChI=1S/C13H10F3N3O/c14-13(15,16)10-5-1-2-6-11(10)18-12(19-20)9-4-3-7-17-8-9/h1-8,20H,(H,18,19)",C13H10F3N3O,281.0775964
1615,"Cyclohexane, nonyl-",2883-02-5,DTXSID5062685,17900,"Cyclohexane, nonyl-",CLMFECCMAVQYQA-UHFFFAOYSA-N,Nonylcyclohexane,CCCCCCCCCC1CCCCC1,"InChI=1S/C15H30/c1-2-3-4-5-6-7-9-12-15-13-10-8-11-14-15/h15H,2-14H2,1H3",C15H30,210.234751
1616,2-Cyclohexyloctane,2883-05-8,DTXSID601017169,17901,2-Cyclohexyloctane,IRKYBYIUHWZQGP-UHFFFAOYSA-N,(Octan-2-yl)cyclohexane,CCCCCCC(C)C1CCCCC1,"InChI=1S/C14H28/c1-3-4-5-7-10-13(2)14-11-8-6-9-12-14/h13-14H,3-12H2,1-2H3",C14H28,196.2191009
1617,2-(4-Methylcyclohex-3-en-1-yl)propyl acetate,28839-13-6,DTXSID40865453,527144,2-(4-Methylcyclohex-3-en-1-yl)propyl acetate,QUHIXSUMNSRNNP-UHFFFAOYSA-N,2-(4-Methylcyclohex-3-en-1-yl)propyl acetate,CC(COC(C)=O)C1CCC(C)=CC1,"InChI=1S/C12H20O2/c1-9-4-6-12(7-5-9)10(2)8-14-11(3)13/h4,10,12H,5-8H2,1-3H3",C12H20O2,196.1463299
1618,"1,9-Dihydropyrene",28862-02-4,DTXSID90346045,609043,"1,9-Dihydropyrene",JBWYHEWFOLZDIH-UHFFFAOYSA-N,"1,9-Dihydropyrene",C1C=CC2=C3C1=CCC1=CC=CC(C=C2)=C31,"InChI=1S/C16H12/c1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14/h1-5,7,9-10H,6,8H2",C16H12,204.0939004
1619,"2-[(acetyloxy)methyl]-6-{[3,4-bis(acetyloxy)-6,8-dioxabicyclo[3.2.1]oct-2-yl]oxy}tetrahydro-2h-pyran-3,4,5-triyl triacetate(non-preferred name)",28868-67-9,DTXSID90295766,266654,"2-[(acetyloxy)methyl]-6-{[3,4-bis(acetyloxy)-6,8-dioxabicyclo[3.2.1]oct-2-yl]oxy}tetrahydro-2h-pyran-3,4,5-triyl triacetate",JPYANUNAAANZGA-UHFFFAOYSA-N,"2-[(Acetyloxy)methyl]-6-{[3,4-bis(acetyloxy)-6,8-dioxabicyclo[3.2.1]octan-2-yl]oxy}oxane-3,4,5-triyl triacetate",[H]C12COC([H])(O1)C(OC(C)=O)C(OC(C)=O)C2OC1OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O,"InChI=1S/C24H32O16/c1-9(25)31-7-15-17(33-10(2)26)19(34-11(3)27)22(37-14(6)30)24(39-15)40-18-16-8-32-23(38-16)21(36-13(5)29)20(18)35-12(4)28/h15-24H,7-8H2,1-6H3",C24H32O16,576.169035
1620,"1,2,4-Trithiolane",289-16-7,DTXSID70183091,9258,"1,2,4-Trithiolane",QHGFEUAAQKJXDI-UHFFFAOYSA-N,"1,2,4-Trithiolane",C1SCSS1,InChI=1S/C2H4S3/c1-3-2-5-4-1/h1-2H2,C2H4S3,123.9475137
1621,"3,6-Anhydro-1,2-di-O-dodecanoylhexitol",28905-44-4,DTXSID50951538,119844,"3,6-Anhydro-1,2-di-O-dodecanoylhexitol",DMCPZDAVVMKAJS-DTRSFYFTSA-N,"1,4-Anhydro-5,6-di-O-dodecanoyl-D-arabino-hexitol",[H][C@](COC(=O)CCCCCCCCCCC)(OC(=O)CCCCCCCCCCC)[C@@]1([H])OCC([H])(O)[C@]1([H])O,"InChI=1S/C30H56O7/c1-3-5-7-9-11-13-15-17-19-21-27(32)35-24-26(30-29(34)25(31)23-36-30)37-28(33)22-20-18-16-14-12-10-8-6-4-2/h25-26,29-31,34H,3-24H2,1-2H3/t25?,26-,29+,30-/m1/s1",C30H56O7,528.4026041
1622,Trimethylolpropane ethoxylate triacrylate,28961-43-5,DTXSID3027950,115157,Trimethylolpropane ethoxylate triacrylate,MTPIZGPBYCHTGQ-UHFFFAOYSA-N,,"CCC(COCCOC(=O)C=C)(COCCOC(=O)C=C)COCCOC(=O)C=C |lp:4:2,7:2,9:2,13:2,16:2,18:2,22:2,25:2,27:2,Sg:n:4,5,6::ht,Sg:n:24,23,22::ht,Sg:n:15,14,13::ht|","InChI=1S/C21H32O9/c1-5-18(22)28-12-9-25-15-21(8-4,16-26-10-13-29-19(23)6-2)17-27-11-14-30-20(24)7-3/h5-7H,1-3,8-17H2,4H3",(C2H4O)n(C2H4O)n(C2H4O)nC15H20O6,
1623,(6Z)-beta-Farnesene,28973-97-9,DTXSID101017764,5317319,(6Z)-beta-Farnesene,JSNRRGGBADWTMC-QINSGFPZSA-N,"(6Z)-7,11-Dimethyl-3-methylidenedodeca-1,6,10-triene",CC(C)=CCC\C(C)=C/CCC(=C)C=C,"InChI=1S/C15H24/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h6,9,12H,1,4,7-8,10-11H2,2-3,5H3/b15-12-",C15H24,204.1878008
1624,1-Isobutyl-3-methylcyclopentane,29053-04-1,DTXSID601016054,520404,1-Isobutyl-3-methylcyclopentane,GTALJEOQBKHHJE-UHFFFAOYSA-N,1-Methyl-3-(2-methylpropyl)cyclopentane,CC(C)CC1CCC(C)C1,"InChI=1S/C10H20/c1-8(2)6-10-5-4-9(3)7-10/h8-10H,4-7H2,1-3H3",C10H20,140.1565006
1625,"1,3,5,2,4,6-Trioxatrisilinane",291-50-9,DTXSID50635361,23657874,"1,3,5,2,4,6-Trioxatrisilinane",JJRDHFIVAPVZJN-UHFFFAOYSA-N,"1,3,5,2,4,6-Trioxatrisilinane",O1[SiH2]O[SiH2]O[SiH2]1,InChI=1S/H6O3Si3/c1-4-2-6-3-5-1/h4-6H2,H6O3Si3,137.9624737
1626,"Cyclohexanol, 5-methyl-2-(1-methylethenyl)-, (1S,2S,5R)-",29141-10-4,DTXSID401035121,,"Cyclohexanol, 5-methyl-2-(1-methylethenyl)-, (1S,2S,5R)-",,,,,,
1627,Chlorpyrifos,2921-88-2,DTXSID4020458,2730,Chlorpyrifos,SBPBAQFWLVIOKP-UHFFFAOYSA-N,"O,O-Diethyl O-(3,5,6-trichloropyridin-2-yl) phosphorothioate",CCOP(=S)(OCC)OC1=NC(Cl)=C(Cl)C=C1Cl,"InChI=1S/C9H11Cl3NO3PS/c1-3-14-17(18,15-4-2)16-9-7(11)5-6(10)8(12)13-9/h5H,3-4H2,1-2H3",C9H11Cl3NO3PS,348.9262845
1628,3-tert-Butyl-2-pyrazolin-5-one,29211-68-5,DTXSID10334343,520421,3-tert-Butyl-2-pyrazolin-5-one,VDNOHRWEOSDGQX-UHFFFAOYSA-N,"5-tert-Butyl-2,4-dihydro-3H-pyrazol-3-one",CC(C)(C)C1=NNC(=O)C1,"InChI=1S/C7H12N2O/c1-7(2,3)5-4-6(10)9-8-5/h4H2,1-3H3,(H,9,10)",C7H12N2O,140.094963
1629,Isopropylnaphthalene,29253-36-9,DTXSID10883205,,Isopropylnaphthalene,,,,,,
1630,Cyclotetrasiloxane,293-51-6,DTXSID201019587,185471,Cyclotetrasiloxane,DDJSWKLBKSLAAZ-UHFFFAOYSA-N,"1,3,5,7,2,4,6,8-Tetroxatetrasilocane",O1[SiH2]O[SiH2]O[SiH2]O[SiH2]1,InChI=1S/H8O4Si4/c1-5-2-7-4-8-3-6-1/h5-8H2,H8O4Si4,183.9499649
1631,Cyclodecane,293-96-9,DTXSID7059779,9267,Cyclodecane,LMGZGXSXHCMSAA-UHFFFAOYSA-N,Cyclodecane,C1CCCCCCCCC1,InChI=1S/C10H20/c1-2-4-6-8-10-9-7-5-3-1/h1-10H2,C10H20,140.1565006
1632,"1H-Phenalene, dodecahydro-",2935-07-1,DTXSID20183581,123177,"1H-Phenalene, dodecahydro-",QGUYWRASKKWRQG-UHFFFAOYSA-N,Dodecahydro-1H-phenalene,C1CC2CCCC3CCCC(C1)C23,"InChI=1S/C13H22/c1-4-10-6-2-8-12-9-3-7-11(5-1)13(10)12/h10-13H,1-9H2",C13H22,178.1721507
1633,Tridecyl benzoate,29376-83-8,DTXSID90737595,9814973,Tridecyl benzoate,PHXPEXIJLNFIBR-UHFFFAOYSA-N,Tridecyl benzoate,CCCCCCCCCCCCCOC(=O)C1=CC=CC=C1,"InChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-15-18-22-20(21)19-16-13-12-14-17-19/h12-14,16-17H,2-11,15,18H2,1H3",C20H32O2,304.2402303
1634,"1,1-Diethyl-1,2,3,4-tetrahydronaphthalene",2938-66-1,DTXSID10334348,520431,"1,1-Diethyl-1,2,3,4-tetrahydronaphthalene",DBFQMDNLSBZPMF-UHFFFAOYSA-N,"1,1-Diethyl-1,2,3,4-tetrahydronaphthalene",CCC1(CC)CCCC2=CC=CC=C12,"InChI=1S/C14H20/c1-3-14(4-2)11-7-9-12-8-5-6-10-13(12)14/h5-6,8,10H,3-4,7,9,11H2,1-2H3",C14H20,188.1565006
1635,"2-Methyl-1,4-butanediol",2938-98-9,DTXSID201031185,18053,"2-Methyl-1,4-butanediol",MWCBGWLCXSUTHK-UHFFFAOYSA-N,,CC(CO)CCO,"InChI=1S/C5H12O2/c1-5(4-7)2-3-6/h5-7H,2-4H2,1H3",C5H12O2,104.0837296
1636,Cyclododecane,294-62-2,DTXSID9021552,9268,Cyclododecane,DDTBPAQBQHZRDW-UHFFFAOYSA-N,Cyclododecane,C1CCCCCCCCCCC1,InChI=1S/C12H24/c1-2-4-6-8-10-12-11-9-7-5-3-1/h1-12H2,C12H24,168.1878008
1637,"naphthalene, 1,2,3,4-tetrahydro-2-phenyl-",29422-13-7,DTXSID10880673,34581,"naphthalene, 1,2,3,4-tetrahydro-2-phenyl-",DYYMTTTVEKTABS-UHFFFAOYSA-N,"2-Phenyl-1,2,3,4-tetrahydronaphthalene",C1CC2=CC=CC=C2CC1C1=CC=CC=C1,"InChI=1S/C16H16/c1-2-6-13(7-3-1)16-11-10-14-8-4-5-9-15(14)12-16/h1-9,16H,10-12H2",C16H16,208.1252005
1638,"4,4'-(propane-2,2-diyl)bis(2-bromophenol)",29426-78-6,DTXSID80904259,656687,Dibromobisphenol A,CKNCVRMXCLUOJI-UHFFFAOYSA-N,"4,4'-(Propane-2,2-diyl)bis(2-bromophenol)",CC(C)(C1=CC(Br)=C(O)C=C1)C1=CC(Br)=C(O)C=C1,"InChI=1S/C15H14Br2O2/c1-15(2,9-3-5-13(18)11(16)7-9)10-4-6-14(19)12(17)8-10/h3-8,18-19H,1-2H3",C15H14Br2O2,383.936056
1639,Triethoxyoctylsilane,2943-75-1,DTXSID2029246,76262,Triethoxyoctylsilane,MSRJTTSHWYDFIU-UHFFFAOYSA-N,Triethoxy(octyl)silane,CCCCCCCC[Si](OCC)(OCC)OCC,"InChI=1S/C14H32O3Si/c1-5-9-10-11-12-13-14-18(15-6-2,16-7-3)17-8-4/h5-14H2,1-4H3",C14H32O3Si,276.2120714
1640,"1,4-Bis(2-hydroxy-2-propyl)benzene",2948-46-1,DTXSID7029247,18062,"1,4-Bis(2-hydroxy-2-propyl)benzene",LEARFTRDZQQTDN-UHFFFAOYSA-N,"2,2'-(1,4-Phenylene)di(propan-2-ol)",CC(C)(O)C1=CC=C(C=C1)C(C)(C)O,"InChI=1S/C12H18O2/c1-11(2,13)9-5-7-10(8-6-9)12(3,4)14/h5-8,13-14H,1-4H3",C12H18O2,194.1306798
1641,Cyclotetradecane,295-17-0,DTXSID70183697,67524,Cyclotetradecane,KATXJJSCAPBIOB-UHFFFAOYSA-N,Cyclotetradecane,C1CCCCCCCCCCCCC1,InChI=1S/C14H28/c1-2-4-6-8-10-12-14-13-11-9-7-5-3-1/h1-14H2,C14H28,196.2191009
1642,Cyclopentadecane,295-48-7,DTXSID1059781,67525,Cyclopentadecane,SRONXYPFSAKOGH-UHFFFAOYSA-N,Cyclopentadecane,C1CCCCCCCCCCCCCC1,InChI=1S/C15H30/c1-2-4-6-8-10-12-14-15-13-11-9-7-5-3-1/h1-15H2,C15H30,210.234751
1643,Cyclohexadecane,295-65-8,DTXSID40183700,67526,Cyclohexadecane,JJWIOXUMXIOXQN-UHFFFAOYSA-N,Cyclohexadecane,C1CCCCCCCCCCCCCCC1,InChI=1S/C16H32/c1-2-4-6-8-10-12-14-16-15-13-11-9-7-5-3-1/h1-16H2,C16H32,224.250401
1644,Decahydro-1-methylnaphthalene,2958-75-0,DTXSID70880795,34193,Decahydro-1-methylnaphthalene,NHCREQREVZBOCH-UHFFFAOYSA-N,1-Methyldecahydronaphthalene,CC1CCCC2CCCCC12,"InChI=1S/C11H20/c1-9-5-4-7-10-6-2-3-8-11(9)10/h9-11H,2-8H2,1H3",C11H20,152.1565006
1645,Decahydro-2-methylnaphthalene,2958-76-1,DTXSID20873314,94249,2-Methyldecalin,GREARFRXIFVLGB-UHFFFAOYSA-N,2-Methyldecahydronaphthalene,CC1CCC2CCCCC2C1,"InChI=1S/C11H20/c1-9-6-7-10-4-2-3-5-11(10)8-9/h9-11H,2-8H2,1H3",C11H20,152.1565006
1646,Cyclotetracosane,297-03-0,DTXSID20334354,520449,Cyclotetracosane,OOTMSKDHDITFHF-UHFFFAOYSA-N,Cyclotetracosane,C1CCCCCCCCCCCCCCCCCCCCCCC1,InChI=1S/C24H48/c1-2-4-6-8-10-12-14-16-18-20-22-24-23-21-19-17-15-13-11-9-7-5-3-1/h1-24H2,C24H48,336.3756015
1647,Isodecyl diphenyl phosphate,29761-21-5,DTXSID3025465,,Isodecyl diphenyl phosphate,,,,,,
1648,Bis(2-ethylhexyl) phosphate,298-07-7,DTXSID1027134,9275,Bis(2-ethylhexyl) phosphate,SEGLCEQVOFDUPX-UHFFFAOYSA-N,Bis(2-ethylhexyl) hydrogen phosphate,CCCCC(CC)COP(O)(=O)OCC(CC)CCCC,"InChI=1S/C16H35O4P/c1-5-9-11-15(7-3)13-19-21(17,18)20-14-16(8-4)12-10-6-2/h15-16H,5-14H2,1-4H3,(H,17,18)",C16H35O4P,322.2272966
1649,4-Methylundecane,2980-69-0,DTXSID00334357,520454,4-Methylundecane,KNMXZGDUJVOTOC-UHFFFAOYSA-N,4-Methylundecane,CCCCCCCC(C)CCC,"InChI=1S/C12H26/c1-4-6-7-8-9-11-12(3)10-5-2/h12H,4-11H2,1-3H3",C12H26,170.2034508
1650,cis-2-Menthenol,29803-82-5,DTXSID30885463,,cis-2-Menthenol,IZXYHAXVIZHGJV-NCGZQQALNA-N,"(1R,4R)-1-Methyl-4-(propan-2-yl)cyclohex-2-en-1-ol",CC(C)[C@H]1CC[C@@](C)(O)C=C1,"InChI=1S/C10H18O/c1-8(2)9-4-6-10(3,11)7-5-9/h4,6,8-9,11H,5,7H2,1-3H3/t9-,10+/m1/s1",C10H18O,154.1357652
1651,2-Ethylhexyl tetradecanoate,29806-75-5,DTXSID50952247,122530,2-Ethylhexyl tetradecanoate,GRXOKLJPWSYWIA-UHFFFAOYSA-N,2-Ethylhexyl tetradecanoate,CCCCCCCCCCCCCC(=O)OCC(CC)CCCC,"InChI=1S/C22H44O2/c1-4-7-9-10-11-12-13-14-15-16-17-19-22(23)24-20-21(6-3)18-8-5-2/h21H,4-20H2,1-3H3",C22H44O2,340.3341307
1652,"1-pentadecene, 2-methyl-",29833-69-0,DTXSID60880683,520456,"1-pentadecene, 2-methyl-",FWQJRKLMXMTXDY-UHFFFAOYSA-N,2-Methylpentadec-1-ene,CCCCCCCCCCCCCC(C)=C,"InChI=1S/C16H32/c1-4-5-6-7-8-9-10-11-12-13-14-15-16(2)3/h2,4-15H2,1,3H3",C16H32,224.250401
1653,"Pentacyclo[4.2.0.0~2,5~.0~3,8~.0~4,7~]octa-1,3-diene",29837-12-5,DTXSID70723931,57357909,"Pentacyclo[4.2.0.0~2,5~.0~3,8~.0~4,7~]octa-1,3-diene",KWFAQPWLROZBAY-UHFFFAOYSA-N,"Pentacyclo[4.2.0.0~2,5~.0~3,8~.0~4,7~]octa-1,3-diene",C12C3C4C1=C1C2C3=C41,"InChI=1S/C8H4/c1-2-5-3(1)7-4(1)6(2)8(5)7/h1-3,6H",C8H4,100.0313001
1654,4-Dodecyloxy-2-hydroxybenzophenone,2985-59-3,DTXSID6062755,76330,4-Dodecyloxy-2-hydroxybenzophenone,ARVUDIQYNJVQIW-UHFFFAOYSA-N,[4-(Dodecyloxy)-2-hydroxyphenyl](phenyl)methanone,CCCCCCCCCCCCOC1=CC(O)=C(C=C1)C(=O)C1=CC=CC=C1,"InChI=1S/C25H34O3/c1-2-3-4-5-6-7-8-9-10-14-19-28-22-17-18-23(24(26)20-22)25(27)21-15-12-11-13-16-21/h11-13,15-18,20,26H,2-10,14,19H2,1H3",C25H34O3,382.250795
1655,"1,2-diphenylcyclopropane",29881-14-9,DTXSID90880676,70824,"1,2-diphenylcyclopropane",ZSIYTDQNAOYUNE-UHFFFAOYSA-N,"1,1'-(Cyclopropane-1,2-diyl)dibenzene",C1C(C1C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C15H14/c1-3-7-12(8-4-1)14-11-15(14)13-9-5-2-6-10-13/h1-10,14-15H,11H2",C15H14,194.1095505
1656,1-[(1-Butoxy-2-propanyl)oxy]-2-propanol,29911-28-2,DTXSID8027959,24752,1-[(1-Butoxy-2-propanyl)oxy]-2-propanol,CUVLMZNMSPJDON-UHFFFAOYSA-N,1-[(1-Butoxypropan-2-yl)oxy]propan-2-ol,CCCCOCC(C)OCC(C)O,"InChI=1S/C10H22O3/c1-4-5-6-12-8-10(3)13-7-9(2)11/h9-11H,4-8H2,1-3H3",C10H22O3,190.1568946
1657,Isobutyl methacyrlate,2998-18-7,DTXSID20863073,97732,Isobutyl methacyrlate,VXTQKJXIZHSXBY-UHFFFAOYSA-N,Butan-2-yl 2-methylprop-2-enoate,CCC(C)OC(=O)C(C)=C,"InChI=1S/C8H14O2/c1-5-7(4)10-8(9)6(2)3/h7H,2,5H2,1,3-4H3",C8H14O2,142.0993797
1658,Allylbenzene,300-57-2,DTXSID00861855,9309,Allylbenzene,HJWLCRVIBGQPNF-UHFFFAOYSA-N,(Prop-2-en-1-yl)benzene,C=CCC1=CC=CC=C1,"InChI=1S/C9H10/c1-2-6-9-7-4-3-5-8-9/h2-5,7-8H,1,6H2",C9H10,118.0782503
1659,"N,N-Dimethyldodecanamide",3007-53-2,DTXSID20880881,18159,"N,N-Dimethyldodecanamide",BDYUSDIJIDGWCY-UHFFFAOYSA-N,"N,N-Dimethyldodecanamide",CCCCCCCCCCCC(=O)N(C)C,"InChI=1S/C14H29NO/c1-4-5-6-7-8-9-10-11-12-13-14(16)15(2)3/h4-13H2,1-3H3",C14H29NO,227.2249146
1660,(9Z)-Octadec-9-enamide,301-02-0,DTXSID6027137,5283387,(9Z)-Octadec-9-enamide,FATBGEAMYMYZAF-KTKRTIGZSA-N,(9Z)-Octadec-9-enamide,CCCCCCCC\C=C/CCCCCCCC(N)=O,"InChI=1S/C18H35NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H2,19,20)/b10-9-",C18H35NO,281.2718648
1661,Tris(2-ethylhexyl) phosphite,301-13-3,DTXSID4026264,9320,Tris(2-ethylhexyl) phosphite,ILLOBGFGKYTZRO-UHFFFAOYSA-N,Tris(2-ethylhexyl) phosphite,CCCCC(CC)COP(OCC(CC)CCCC)OCC(CC)CCCC,"InChI=1S/C24H51O3P/c1-7-13-16-22(10-4)19-25-28(26-20-23(11-5)17-14-8-2)27-21-24(12-6)18-15-9-3/h22-24H,7-21H2,1-6H3",C24H51O3P,418.3575825
1662,Desethylterbutylazine,30125-63-4,DTXSID80184211,108201,Desethylterbutylazine,LMKQNTMFZLAJDV-UHFFFAOYSA-N,"N~2~-tert-Butyl-6-chloro-1,3,5-triazine-2,4-diamine",CC(C)(C)NC1=NC(Cl)=NC(N)=N1,"InChI=1S/C7H12ClN5/c1-7(2,3)13-6-11-4(8)10-5(9)12-6/h1-3H3,(H3,9,10,11,12,13)",C7H12ClN5,201.0781231
1663,"cyclohexene, 4-(4-ethylcyclohexyl)-1-pentyl-",301643-32-3,DTXSID00880844,543386,"cyclohexene, 4-(4-ethylcyclohexyl)-1-pentyl-",AWAVRLOLQQEYTI-UHFFFAOYSA-N,"4'-Ethyl-4-pentyl[1,1'-bi(cyclohexan)]-3-ene",CCCCCC1=CCC(CC1)C1CCC(CC)CC1,"InChI=1S/C19H34/c1-3-5-6-7-17-10-14-19(15-11-17)18-12-8-16(4-2)9-13-18/h10,16,18-19H,3-9,11-15H2,1-2H3",C19H34,262.2660511
1664,"N,N?-1,2-Ethanediylbis[3,5-bis(1,1-dimethylethyl)-N-(2-methylphenyl)benzamide] (ACI)",301656-81-5,,3092031,"N,N?-1,2-Ethanediylbis[3,5-bis(1,1-dimethylethyl)-N-(2-methylphenyl)benzamide] (ACI)",YXEABVCDHXCCTF-UHFFFAOYSA-N,"3,5-ditert-butyl-N-[2-(N-(3,5-ditert-butylbenzoyl)-2-methylanilino)ethyl]-N-(2-methylphenyl)benzamide",O=C(C=1C=C(C=C(C1)C(C)(C)C)C(C)(C)C)N(C=2C=CC=CC2C)CCN(C(=O)C=3C=C(C=C(C3)C(C)(C)C)C(C)(C)C)C=4C=CC=CC4C,"InChI=1S/C46H60N2O2/c1-31-19-15-17-21-39(31)47(41(49)33-25-35(43(3,4)5)29-36(26-33)44(6,7)8)23-24-48(40-22-18-16-20-32(40)2)42(50)34-27-37(45(9,10)11)30-38(28-34)46(12,13)14/h15-22,25-30H,23-24H2,1-14H3",C46H60N2O2,672.465
1665,"naphthalene, 1,2,3,4-tetrahydro-1-phenyl-",3018-20-0,DTXSID80880680,18178,"naphthalene, 1,2,3,4-tetrahydro-1-phenyl-",YSPDISPRPJFBCV-UHFFFAOYSA-N,"1-Phenyl-1,2,3,4-tetrahydronaphthalene",C1CC(C2=CC=CC=C2)C2=CC=CC=C2C1,"InChI=1S/C16H16/c1-2-7-13(8-3-1)16-12-6-10-14-9-4-5-11-15(14)16/h1-5,7-9,11,16H,6,10,12H2",C16H16,208.1252005
1666,"cyclobutane, 1,2-diphenyl-",3018-21-1,DTXSID00864104,140640,"cyclobutane, 1,2-diphenyl-",AERGGMDNGDDGPI-UHFFFAOYSA-N,"1,1'-(Cyclobutane-1,2-diyl)dibenzene",C1CC(C1C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C16H16/c1-3-7-13(8-4-1)15-11-12-16(15)14-9-5-2-6-10-14/h1-10,15-16H,11-12H2",C16H16,208.1252005
1667,Etienic acid,302-97-6,DTXSID0057706,99472,Etienic acid,YQACAXHKQZCEOI-UDCWSGSHSA-N,3-Oxoandrost-4-ene-17beta-carboxylic acid,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(O)=O,"InChI=1S/C20H28O3/c1-19-9-7-13(21)11-12(19)3-4-14-15-5-6-17(18(22)23)20(15,2)10-8-16(14)19/h11,14-17H,3-10H2,1-2H3,(H,22,23)/t14-,15-,16-,17+,19-,20-/m0/s1",C20H28O3,316.2038448
1668,"1,1,4,7,7-Pentamethyldiethylenetriamine",3030-47-5,DTXSID7029249,18196,"1,1,4,7,7-Pentamethyldiethylenetriamine",UKODFQOELJFMII-UHFFFAOYSA-N,"N~1~-[2-(Dimethylamino)ethyl]-N~1~,N~2~,N~2~-trimethylethane-1,2-diamine",CN(C)CCN(C)CCN(C)C,"InChI=1S/C9H23N3/c1-10(2)6-8-12(5)9-7-11(3)4/h6-9H2,1-5H3",C9H23N3,173.1891978
1669,"1,2,3,4-Tetramethylnaphthalene",3031-15-0,DTXSID70873248,520473,"1,2,3,4-Tetramethylnaphthalene",ZDPJODSYNODADV-UHFFFAOYSA-N,"1,2,3,4-Tetramethylnaphthalene",CC1=C(C)C2=C(C=CC=C2)C(C)=C1C,"InChI=1S/C14H16/c1-9-10(2)12(4)14-8-6-5-7-13(14)11(9)3/h5-8H,1-4H3",C14H16,184.1252005
1670,Bis[2-(dimethylamino)ethyl]ether,3033-62-3,DTXSID5027512,18204,Bis[2-(dimethylamino)ethyl]ether,GTEXIOINCJRBIO-UHFFFAOYSA-N,"2,2'-Oxybis(N,N-dimethylethan-1-amine)",CN(C)CCOCCN(C)C,"InChI=1S/C8H20N2O/c1-9(2)5-7-11-8-6-10(3)4/h5-8H2,1-4H3",C8H20N2O,160.1575633
1671,"1,2-Dipalmitoyl-sn-glycerol",30334-71-5,DTXSID001036210,644078,"1,2-Dipalmitoyl-sn-glycerol",JEJLGIQLPYYGEE-XIFFEERXSA-N,,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C35H68O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(37)39-32-33(31-36)40-35(38)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33,36H,3-32H2,1-2H3/t33-/m0/s1",C35H68O5,568.5066753
1672,"1,2-Dihydro-1,1,6-trimethylnaphthalene",30364-38-6,DTXSID30184443,121677,"1,2-Dihydro-1,1,6-trimethylnaphthalene",RTUMCNDCAVLXEP-UHFFFAOYSA-N,"1,1,6-Trimethyl-1,2-dihydronaphthalene",CC1=CC2=C(C=C1)C(C)(C)CC=C2,"InChI=1S/C13H16/c1-10-6-7-12-11(9-10)5-4-8-13(12,2)3/h4-7,9H,8H2,1-3H3",C13H16,172.1252005
1673,Isooctadecanoic acid,30399-84-9,DTXSID2027963,,Isooctadecanoic acid,,,,,,
1674,N-Ethyl-N-octadecyl-1-octadecanamine (ACI),30427-52-2,,18955828,N-Ethyl-N-octadecyl-1-octadecanamine (ACI),REFMYUOVHSCDIA-UHFFFAOYSA-N,N-ethyl-N-octadecyloctadecan-1-amine,N(CC)(CCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCC,"InChI=1S/C38H79N/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39(6-3)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-5-2/h4-38H2,1-3H3",C38H79N,549.621
1675,"Bicyclo[3.1.1]heptan-3-one, 6,6-dimethyl-2-methylene-",30460-92-5,DTXSID90865544,121719,"Bicyclo[3.1.1]heptan-3-one, 6,6-dimethyl-2-methylene-",TZDMGBLPGZXHJI-UHFFFAOYSA-N,"6,6-Dimethyl-2-methylidenebicyclo[3.1.1]heptan-3-one",CC1(C)C2CC1C(=C)C(=O)C2,"InChI=1S/C10H14O/c1-6-8-4-7(5-9(6)11)10(8,2)3/h7-8H,1,4-5H2,2-3H3",C10H14O,150.1044651
1676,"Phosphonic acid, phenyl-, diphenyl ester",3049-24-9,DTXSID90184560,76448,"Phosphonic acid, phenyl-, diphenyl ester",CDOMXXVCZQOOMT-UHFFFAOYSA-N,Diphenyl phenylphosphonate,O=P(OC1=CC=CC=C1)(OC1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C18H15O3P/c19-22(18-14-8-3-9-15-18,20-16-10-4-1-5-11-16)21-17-12-6-2-7-13-17/h1-15H",C18H15O3P,310.0758813
1677,Benzyl diethyldithiocarbamate,3052-61-7,DTXSID20343547,590455,Benzyl diethyldithiocarbamate,SNBMGLUIIGFNFE-UHFFFAOYSA-N,Benzyl diethylcarbamodithioate,CCN(CC)C(=S)SCC1=CC=CC=C1,"InChI=1S/C12H17NS2/c1-3-13(4-2)12(14)15-10-11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3",C12H17NS2,239.0802419
1678,2-[2-(Dodecyloxy)ethoxy]ethanol,3055-93-4,DTXSID7038816,76457,2-[2-(Dodecyloxy)ethoxy]ethanol,AZLWQVJVINEILY-UHFFFAOYSA-N,2-[2-(Dodecyloxy)ethoxy]ethan-1-ol,CCCCCCCCCCCCOCCOCCO,"InChI=1S/C16H34O3/c1-2-3-4-5-6-7-8-9-10-11-13-18-15-16-19-14-12-17/h17H,2-16H2,1H3",C16H34O3,274.250795
1679,Triethylene glycol monododecyl ether,3055-94-5,DTXSID6058631,76458,Triethylene glycol monododecyl ether,FKMHSNTVILORFA-UHFFFAOYSA-N,2-{2-[2-(Dodecyloxy)ethoxy]ethoxy}ethan-1-ol,CCCCCCCCCCCCOCCOCCOCCO,"InChI=1S/C18H38O4/c1-2-3-4-5-6-7-8-9-10-11-13-20-15-17-22-18-16-21-14-12-19/h19H,2-18H2,1H3",C18H38O4,318.2770097
1680,"3,6,9,12,15-Pentaoxaheptacosan-1-ol",3055-95-6,DTXSID1058632,18281,"3,6,9,12,15-Pentaoxaheptacosan-1-ol",LAPRIVJANDLWOK-UHFFFAOYSA-N,"3,6,9,12,15-Pentaoxaheptacosan-1-ol",CCCCCCCCCCCCOCCOCCOCCOCCOCCO,"InChI=1S/C22H46O6/c1-2-3-4-5-6-7-8-9-10-11-13-24-15-17-26-19-21-28-22-20-27-18-16-25-14-12-23/h23H,2-22H2,1H3",C22H46O6,406.3294392
1681,Hexaethylene glycol monododecyl ether,3055-96-7,DTXSID6058633,18282,Hexaethylene glycol monododecyl ether,OJCFEGKCRWEVSN-UHFFFAOYSA-N,"3,6,9,12,15,18-Hexaoxatriacontan-1-ol",CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCO,"InChI=1S/C24H50O7/c1-2-3-4-5-6-7-8-9-10-11-13-26-15-17-28-19-21-30-23-24-31-22-20-29-18-16-27-14-12-25/h25H,2-24H2,1H3",C24H50O7,450.355654
1682,3-Methylhexanedioic acid,3058-01-3,DTXSID40863090,12292,3-Methylhexanedioic acid,SYEOWUNSTUDKGM-UHFFFAOYSA-N,3-Methylhexanedioic acid,CC(CCC(O)=O)CC(O)=O,"InChI=1S/C7H12O4/c1-5(4-7(10)11)2-3-6(8)9/h5H,2-4H2,1H3,(H,8,9)(H,10,11)",C7H12O4,160.0735589
1683,Docosanamide,3061-75-4,DTXSID7062821,76468,Docosanamide,ORAWFNKFUWGRJG-UHFFFAOYSA-N,Docosanamide,CCCCCCCCCCCCCCCCCCCCCC(N)=O,"InChI=1S/C22H45NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h2-21H2,1H3,(H2,23,24)",C22H45NO,339.3501151
1684,Butyl decanoate,30673-36-0,DTXSID4067565,35408,Butyl decanoate,ZRNCNTSXSYXHOW-UHFFFAOYSA-N,Butyl decanoate,CCCCCCCCCC(=O)OCCCC,"InChI=1S/C14H28O2/c1-3-5-7-8-9-10-11-12-14(15)16-13-6-4-2/h3-13H2,1-2H3",C14H28O2,228.2089301
1685,Methylethylcyclohexane,30677-34-0,DTXSID4073465,,Methylethylcyclohexane,,,,,,
1686,Hexyltrimethoxysilane,3069-19-0,DTXSID7062825,76478,Hexyltrimethoxysilane,CZWLNMOIEMTDJY-UHFFFAOYSA-N,Hexyl(trimethoxy)silane,CCCCCC[Si](OC)(OC)OC,"InChI=1S/C9H22O3Si/c1-5-6-7-8-9-13(10-2,11-3)12-4/h5-9H2,1-4H3",C9H22O3Si,206.1338211
1687,"N,N'-Hexamethylenebisacetamide",3073-59-4,DTXSID2041044,3616,"N,N'-Hexamethylenebisacetamide",BNQSTAOJRULKNX-UHFFFAOYSA-N,"N,N'-(Hexane-1,6-diyl)diacetamide",CC(=O)NCCCCCCNC(C)=O,"InChI=1S/C10H20N2O2/c1-9(13)11-7-5-3-4-6-8-12-10(2)14/h3-8H2,1-2H3,(H,11,13)(H,12,14)",C10H20N2O2,200.1524779
1688,"1,1'-Biphenyl, 2,2',5,5'-tetramethyl-",3075-84-1,DTXSID60184774,137818,"1,1'-Biphenyl, 2,2',5,5'-tetramethyl-",ZHTROMYSDSTCCE-UHFFFAOYSA-N,"2,2',5,5'-Tetramethyl-1,1'-biphenyl",CC1=CC(=C(C)C=C1)C1=C(C)C=CC(C)=C1,"InChI=1S/C16H18/c1-11-5-7-13(3)15(9-11)16-10-12(2)6-8-14(16)4/h5-10H,1-4H3",C16H18,210.1408506
1689,Tridecyl acrylate,3076-04-8,DTXSID1051987,18316,Tridecyl acrylate,XOALFFJGWSCQEO-UHFFFAOYSA-N,Tridecyl prop-2-enoate,CCCCCCCCCCCCCOC(=O)C=C,"InChI=1S/C16H30O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-18-16(17)4-2/h4H,2-3,5-15H2,1H3",C16H30O2,254.2245802
1690,4-(1-Ethyl-1-methylbutyl)phenol,30784-32-8,DTXSID501029301,57035558,4-(1-Ethyl-1-methylbutyl)phenol,OJWSGKXEVFIBNL-UHFFFAOYSA-N,,CCCC(C)(CC)C1=CC=C(O)C=C1,"InChI=1S/C13H20O/c1-4-10-13(3,5-2)11-6-8-12(14)9-7-11/h6-9,14H,4-5,10H2,1-3H3",C13H20O,192.1514153
1691,Alkanes,308061-45-2,DTXSID901019219,,Alkanes,,,,,,
1692,Aldrin,309-00-2,DTXSID8020040,,Aldrin,QBYJBZPUGVGKQQ-SJJAEHHWNA-N,"(1R,4S,4aS,5S,8R,8aR)-1,2,3,4,10,10-Hexachloro-1,4,4a,5,8,8a-hexahydro-1,4:5,8-dimethanonaphthalene",[H][C@]12C[C@]([H])(C=C1)[C@]1([H])[C@@]2([H])[C@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)C2(Cl)Cl,"InChI=1S/C12H8Cl6/c13-8-9(14)11(16)7-5-2-1-4(3-5)6(7)10(8,15)12(11,17)18/h1-2,4-7H,3H2/t4-,5+,6+,7-,10+,11-",C12H8Cl6,361.8757165
1693,"Stannane, trichlorooctyl-",3091-25-6,DTXSID3029659,76538,"Stannane, trichlorooctyl-",INTLMJZQCBRQAT-UHFFFAOYSA-K,Trichloro(octyl)stannane,CCCCCCCC[Sn](Cl)(Cl)Cl,"InChI=1S/C8H17.3ClH.Sn/c1-3-5-7-8-6-4-2;;;;/h1,3-8H2,2H3;3*1H;/q;;;;+3/p-3",C8H17Cl3Sn,337.941786
1694,"Stannane, chlorotricyclohexyl-",3091-32-5,DTXSID5062845,11153918,"Stannane, chlorotricyclohexyl-",OJVZYIKTLISAIH-UHFFFAOYSA-M,Chloro(tricyclohexyl)stannane,Cl[Sn](C1CCCCC1)(C1CCCCC1)C1CCCCC1,"InChI=1S/3C6H11.ClH.Sn/c3*1-2-4-6-5-3-1;;/h3*1H,2-6H2;1H;/q;;;;+1/p-1",C18H33ClSn,404.129281
1695,3-Methyl-5-propylnonane,31081-18-2,DTXSID30338025,545955,3-Methyl-5-propylnonane,XHJWMVOQYQFTBM-UHFFFAOYSA-N,3-Methyl-5-propylnonane,CCCCC(CCC)CC(C)CC,"InChI=1S/C13H28/c1-5-8-10-13(9-6-2)11-12(4)7-3/h12-13H,5-11H2,1-4H3",C13H28,184.2191009
1696,Dechlorane 602,31107-44-5,DTXSID0052702,131877552,Dechlorane 602,CDBKZZACXQLFMK-DSCPOPHVSA-N,"(1S,4R,4aR,5aS,6R,9S,9aR,9bS)-1,2,3,4,6,7,8,9,10,10,11,11-Dodecachloro-1,4,4a,5a,6,9,9a,9b-octahydro-1,4:6,9-dimethanodibenzo[b,d]furan",[H][C@]12O[C@]3([H])[C@]([H])([C@@]1([H])[C@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl)[C@]1(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C1(Cl)Cl,"InChI=1S/C14H4Cl12O/c15-3-5(17)11(21)7-1(9(3,19)13(11,23)24)2-8(27-7)12(22)6(18)4(16)10(2,20)14(12,25)26/h1-2,7-8H/t1-,2+,7+,8-,9-,10-,11-,12-/m0/s1",C14H4Cl12O,607.6524471
1697,"hexadecanoic acid, 1,1-dimethylethyl ester",31158-91-5,DTXSID10880693,544739,"hexadecanoic acid, 1,1-dimethylethyl ester",QESUPNPIYGFLCJ-UHFFFAOYSA-N,tert-Butyl hexadecanoate,CCCCCCCCCCCCCCCC(=O)OC(C)(C)C,"InChI=1S/C20H40O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(21)22-20(2,3)4/h5-18H2,1-4H3",C20H40O2,312.3028305
1698,"2,6,11-Trimethyldodecane",31295-56-4,DTXSID60865591,35768,"2,6,11-Trimethyldodecane",FONXOARHSFUBAN-UHFFFAOYSA-N,"2,6,11-Trimethyldodecane",CC(C)CCCCC(C)CCCC(C)C,"InChI=1S/C15H32/c1-13(2)9-6-7-11-15(5)12-8-10-14(3)4/h13-15H,6-12H2,1-5H3",C15H32,212.250401
1699,1-Methyldibenzothiophene,31317-07-4,DTXSID301037279,23839,1-Methyldibenzothiophene,HORCQSAKJDDBKB-UHFFFAOYSA-N,,CC1=C2C(SC3=CC=CC=C23)=CC=C1,"InChI=1S/C13H10S/c1-9-5-4-8-12-13(9)10-6-2-3-7-11(10)14-12/h2-8H,1H3",C13H10S,198.0503215
1700,"1,2-Dimethyldibenzo[b,d]thiophene",31317-14-3,DTXSID00953360,182038,"1,2-Dimethyldibenzo[b,d]thiophene",AXDZBUZLJGBONR-UHFFFAOYSA-N,"1,2-Dimethyldibenzo[b,d]thiophene",CC1=C(C)C2=C(SC3=CC=CC=C23)C=C1,"InChI=1S/C14H12S/c1-9-7-8-13-14(10(9)2)11-5-3-4-6-12(11)15-13/h3-8H,1-2H3",C14H12S,212.0659716
1701,"1,3-dimethyldibenzothiophene",31317-15-4,DTXSID20424042,6431285,"1,3-dimethyldibenzothiophene",IPMMDFNYBNKMQS-UHFFFAOYSA-N,"1,3-Dimethyldibenzo[b,d]thiophene",CC1=CC(C)=C2C(SC3=CC=CC=C23)=C1,"InChI=1S/C14H12S/c1-9-7-10(2)14-11-5-3-4-6-12(11)15-13(14)8-9/h3-8H,1-2H3",C14H12S,212.0659716
1702,3-Methyl-2-heptanol,31367-46-1,DTXSID90871367,35784,3-Methyl-2-heptanol,SZERMVMTUUAYML-UHFFFAOYSA-N,3-Methylheptan-2-ol,CCCCC(C)C(C)O,"InChI=1S/C8H18O/c1-4-5-6-7(2)8(3)9/h7-9H,4-6H2,1-3H3",C8H18O,130.1357652
1703,"(1S,4R)-10-Camphorsulfonic acid",3144-16-9,DTXSID00883956,65617,"(1S,4R)-10-Camphorsulfonic acid",MIOPJNTWMNEORI-GMSGAONNSA-N,"[(1S,4R)-7,7-Dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl]methanesulfonic acid",CC1(C)[C@@H]2CC[C@@]1(CS(O)(=O)=O)C(=O)C2,"InChI=1S/C10H16O4S/c1-9(2)7-3-4-10(9,8(11)5-7)6-15(12,13)14/h7H,3-6H2,1-2H3,(H,12,13,14)/t7-,10-/m1/s1",C10H16O4S,232.0769302
1704,Octrizole,3147-75-9,DTXSID9027522,62485,Octrizole,IYAZLDLPUNDVAG-UHFFFAOYSA-N,"2-(2H-Benzotriazol-2-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol",CC(C)(C)CC(C)(C)C1=CC(N2N=C3C=CC=CC3=N2)=C(O)C=C1,"InChI=1S/C20H25N3O/c1-19(2,3)13-20(4,5)14-10-11-18(24)17(12-14)23-21-15-8-6-7-9-16(15)22-23/h6-12,24H,13H2,1-5H3",C20H25N3O,323.1997624
1705,"Phenol, 2-(2H-benzotriazol-2-yl)-4-(1,1-dimethylethyl)-",3147-76-0,DTXSID7062871,76605,"Phenol, 2-(2H-benzotriazol-2-yl)-4-(1,1-dimethylethyl)-",WXHVQMGINBSVAY-UHFFFAOYSA-N,2-(2H-Benzotriazol-2-yl)-4-tert-butylphenol,CC(C)(C)C1=CC(N2N=C3C=CC=CC3=N2)=C(O)C=C1,"InChI=1S/C16H17N3O/c1-16(2,3)11-8-9-15(20)14(10-11)19-17-12-6-4-5-7-13(12)18-19/h4-10,20H,1-3H3",C16H17N3O,267.1371622
1706,"4-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-2-butanone",31499-72-6,DTXSID40865599,35821,"4-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-2-butanone",JHJCHCSUEGPIGE-UHFFFAOYSA-N,"4-(2,6,6-Trimethylcyclohex-2-en-1-yl)butan-2-one",CC(=O)CCC1C(C)=CCCC1(C)C,"InChI=1S/C13H22O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h6,12H,5,7-9H2,1-4H3",C13H22O,194.1670653
1707,(3Z)-Hex-3-en-1-yl hexanoate,31501-11-8,DTXSID7047560,5352543,(3Z)-Hex-3-en-1-yl hexanoate,RGACQXBDYBCJCY-ALCCZGGFSA-N,(3Z)-Hex-3-en-1-yl hexanoate,CCCCCC(=O)OCC\C=C/CC,"InChI=1S/C12H22O2/c1-3-5-7-9-11-14-12(13)10-8-6-4-2/h5,7H,3-4,6,8-11H2,1-2H3/b7-5-",C12H22O2,198.1619799
1708,"2,3',4,4',5-Pentachlorobiphenyl",31508-00-6,DTXSID4032116,35823,"2,3',4,4',5-Pentachlorobiphenyl",IUTPYMGCWINGEY-UHFFFAOYSA-N,"2,3',4,4',5-Pentachloro-1,1'-biphenyl",ClC1=CC(Cl)=C(C=C1Cl)C1=CC(Cl)=C(Cl)C=C1,InChI=1S/C12H5Cl5/c13-8-2-1-6(3-10(8)15)7-4-11(16)12(17)5-9(7)14/h1-5H,C12H5Cl5,323.8833887
1709,Glyceryl monostearate,31566-31-1,DTXSID7027968,,Glyceryl monostearate,,,,,,
1710,"Tris(2,4-di-tert-butylphenyl) phosphite",31570-04-4,DTXSID2027969,91601,"Tris(2,4-di-tert-butylphenyl) phosphite",JKIJEFPNVSHHEI-UHFFFAOYSA-N,"Tris(2,4-di-tert-butylphenyl) phosphite",CC(C)(C)C1=CC(=C(OP(OC2=CC=C(C=C2C(C)(C)C)C(C)(C)C)OC2=CC=C(C=C2C(C)(C)C)C(C)(C)C)C=C1)C(C)(C)C,"InChI=1S/C42H63O3P/c1-37(2,3)28-19-22-34(31(25-28)40(10,11)12)43-46(44-35-23-20-29(38(4,5)6)26-32(35)41(13,14)15)45-36-24-21-30(39(7,8)9)27-33(36)42(16,17)18/h19-27H,1-18H3",C42H63O3P,646.4514829
1711,"2-Decanol, 2-benzoate (ACI)",31637-00-0,,90471467,"2-Decanol, 2-benzoate (ACI)",WPQGCBLKSNYZOU-UHFFFAOYSA-N,decan-2-yl benzoate,O=C(OC(C)CCCCCCCC)C=1C=CC=CC1,"InChI=1S/C17H26O2/c1-3-4-5-6-7-9-12-15(2)19-17(18)16-13-10-8-11-14-16/h8,10-11,13-15H,3-7,9,12H2,1-2H3",C17H26O2,262.193
1712,?-Propyl-2-furanacetaldehyde (ACI),31681-26-2,,557292,?-Propyl-2-furanacetaldehyde (ACI),VABVMGKHVDVOBI-UHFFFAOYSA-N,2-(furan-2-yl)pentanal,O=CC(C=1OC=CC1)CCC,"InChI=1S/C9H12O2/c1-2-4-8(7-10)9-5-3-6-11-9/h3,5-8H,2,4H2,1H3",C9H12O2,152.084
1713,Isocyanatocyclohexane,3173-53-3,DTXSID8025464,18502,Isocyanatocyclohexane,KQWGXHWJMSMDJJ-UHFFFAOYSA-N,Isocyanatocyclohexane,O=C=NC1CCCCC1,"InChI=1S/C7H11NO/c9-6-8-7-4-2-1-3-5-7/h7H,1-5H2",C7H11NO,125.084064
1714,Dicyclohexylmethane,3178-23-2,DTXSID40185643,76644,Dicyclohexylmethane,XXKOQQBKBHUATC-UHFFFAOYSA-N,"1,1'-Methylenedicyclohexane",C(C1CCCCC1)C1CCCCC1,"InChI=1S/C13H24/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13/h12-13H,1-11H2",C13H24,180.1878008
1715,N-[3-(Dimethylamino)propyl]dodecanamide,3179-80-4,DTXSID8044913,51392,N-[3-(Dimethylamino)propyl]dodecanamide,TWMFGCHRALXDAR-UHFFFAOYSA-N,N-[3-(Dimethylamino)propyl]dodecanamide,CCCCCCCCCCCC(=O)NCCCN(C)C,"InChI=1S/C17H36N2O/c1-4-5-6-7-8-9-10-11-12-14-17(20)18-15-13-16-19(2)3/h4-16H2,1-3H3,(H,18,20)",C17H36N2O,284.2827638
1716,3-Nonenal,31823-43-5,DTXSID30336203,529907,3-Nonenal,YXEAENVLZOODMT-UHFFFAOYSA-N,Non-3-enal,CCCCCC=CCC=O,"InChI=1S/C9H16O/c1-2-3-4-5-6-7-8-9-10/h6-7,9H,2-5,8H2,1H3",C9H16O,140.1201151
1717,"alpha-1,2,3,4,5,6-Hexachlorocyclohexane",319-84-6,DTXSID2020684,,"alpha-1,2,3,4,5,6-Hexachlorocyclohexane",JLYXXMFPNIAWKQ-JFRXYTQFNA-N,"(1R,2R,3R,4R,5S,6S)-1,2,3,4,5,6-Hexachlorocyclohexane",Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@H](Cl)[C@H](Cl)[C@H]1Cl,"InChI=1S/C6H6Cl6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-6H/t1-,2-,3-,4-,5+,6+/m1/s1",C6H6Cl6,287.8600664
1718,beta-Hexachlorocyclohexane,319-85-7,DTXSID7020685,,beta-Hexachlorocyclohexane,JLYXXMFPNIAWKQ-CDRYSYESNA-N,"(1r,2r,3r,4r,5r,6r)-1,2,3,4,5,6-Hexachlorocyclohexane",Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@H](Cl)[C@@H](Cl)[C@@H]1Cl,"InChI=1S/C6H6Cl6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-6H/t1-,2-,3+,4+,5-,6-",C6H6Cl6,287.8600664
1719,delta-Hexachlorocyclohexane,319-86-8,DTXSID5024134,,delta-Hexachlorocyclohexane,JLYXXMFPNIAWKQ-GPIVLXJGNA-N,"(1R,2S,3r,4R,5S,6s)-1,2,3,4,5,6-Hexachlorocyclohexane",Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@H](Cl)[C@H](Cl)[C@@H]1Cl,"InChI=1S/C6H6Cl6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-6H/t1-,2-,3-,4+,5-,6-",C6H6Cl6,287.8600664
1720,"1,2,5,6,9,10-Hexabromocyclododecane",3194-55-6,DTXSID4027527,18529,"1,2,5,6,9,10-Hexabromocyclododecane",DEIGXXQKDWULML-UHFFFAOYSA-N,"1,2,5,6,9,10-Hexabromocyclododecane",BrC1CCC(Br)C(Br)CCC(Br)C(Br)CCC1Br,"InChI=1S/C12H18Br6/c13-7-1-2-8(14)10(16)5-6-12(18)11(17)4-3-9(7)15/h7-12H,1-6H2",C12H18Br6,635.650879
1721,"1,2,5,6-Tetrabromocyclooctane",3194-57-8,DTXSID0052750,296646,"1,2,5,6-Tetrabromocyclooctane",RZLXIANUDLLFHN-UHFFFAOYSA-N,"1,2,5,6-Tetrabromocyclooctane",BrC1CCC(Br)C(Br)CCC1Br,"InChI=1S/C8H12Br4/c9-5-1-2-6(10)8(12)4-3-7(5)11/h5-8H,1-4H2",C8H12Br4,423.767252
1722,Phthalate,3198-29-6,DTXSID10185812,181977,Phthalate,XNGIFLGASWRNHJ-UHFFFAOYSA-L,"Benzene-1,2-dicarboxylate",[O-]C(=O)C1=CC=CC=C1C([O-])=O,"InChI=1S/C8H6O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H,(H,9,10)(H,11,12)/p-2",C8H4O4,164.0120558
1723,"myo-Inositol, 1,2,3,4,5,6-hexakis(2-methylpropanoate) (ACI)",32077-77-3,,,"myo-Inositol, 1,2,3,4,5,6-hexakis(2-methylpropanoate) (ACI)",OYJSFYMHRSFWJW-HPEVMFQJNA-N,,O=C(OC1C(OC(=O)C(C)C)C(OC(=O)C(C)C)C(OC(=O)C(C)C)C(OC(=O)C(C)C)C1OC(=O)C(C)C)C(C)C,"InChI=1S/C30H48O12/c1-13(2)25(31)37-19-20(38-26(32)14(3)4)22(40-28(34)16(7)8)24(42-30(36)18(11)12)23(41-29(35)17(9)10)21(19)39-27(33)15(5)6/h13-24H,1-12H3",,
1724,2-Ethylfuran,3208-16-0,DTXSID7062906,18554,2-Ethylfuran,HLPIHRDZBHXTFJ-UHFFFAOYSA-N,2-Ethylfuran,CCC1=CC=CO1,"InChI=1S/C6H8O/c1-2-6-4-3-5-7-6/h3-5H,2H2,1H3",C6H8O,96.05751488
1725,"1,2-cyclobutanedicarbonitrile, trans-",3211-20-9,DTXSID40880883,6951362,"1,2-cyclobutanedicarbonitrile, trans-",CZPLUOCTUPJSIZ-WDSKDSINSA-N,"(1R,2R)-Cyclobutane-1,2-dicarbonitrile",N#C[C@@H]1CC[C@H]1C#N,"InChI=1S/C6H6N2/c7-3-5-1-2-6(5)4-8/h5-6H,1-2H2/t5-,6-/m0/s1",C6H6N2,106.0530982
1726,4-tert-Butylcyclohexyl acetate,32210-23-4,DTXSID1027974,36081,4-tert-Butylcyclohexyl acetate,MBZRJSQZCBXRGK-UHFFFAOYSA-N,4-tert-Butylcyclohexyl acetate,CC(=O)OC1CCC(CC1)C(C)(C)C,"InChI=1S/C12H22O2/c1-9(13)14-11-7-5-10(6-8-11)12(2,3)4/h10-11H,5-8H2,1-4H3",C12H22O2,198.1619799
1727,(2R)-2-Methylbutanoic acid,32231-50-8,DTXSID8091536,6950479,(2R)-2-Methylbutanoic acid,WLAMNBDJUVNPJU-SCSAIBSYSA-N,(2R)-2-Methylbutanoic acid,CC[C@@H](C)C(O)=O,"InChI=1S/C5H10O2/c1-3-4(2)5(6)7/h4H,3H2,1-2H3,(H,6,7)/t4-/m1/s1",C5H10O2,102.0680796
1728,binaphthyl sulfone,32390-26-4,DTXSID50880915,581590,binaphthyl sulfone,RIUSNQJIDQVTEH-UHFFFAOYSA-N,"2,2'-Sulfonyldinaphthalene",O=S(=O)(C1=CC=C2C=CC=CC2=C1)C1=CC=C2C=CC=CC2=C1,"InChI=1S/C20H14O2S/c21-23(22,19-11-9-15-5-1-3-7-17(15)13-19)20-12-10-16-6-2-4-8-18(16)14-20/h1-14H",C20H14O2S,318.0714509
1729,Pentabromodiphenyl ether,32534-81-9,DTXSID2024246,,Pentabromodiphenyl ether,,,,,,
1730,Octabromodiphenyl ether,32536-52-0,DTXSID8024236,,Octabromodiphenyl ether,,,,,,
1731,"2,3,3',4,4'-Pentachlorobiphenyl",32598-14-4,DTXSID8038306,36188,"2,3,3',4,4'-Pentachlorobiphenyl",WIDHRBRBACOVOY-UHFFFAOYSA-N,"2,3,3',4,4'-Pentachloro-1,1'-biphenyl",ClC1=C(Cl)C=C(C=C1)C1=C(Cl)C(Cl)=C(Cl)C=C1,InChI=1S/C12H5Cl5/c13-8-3-1-6(5-10(8)15)7-2-4-9(14)12(17)11(7)16/h1-5H,C12H5Cl5,323.8833887
1732,"10,18-bisnorabieta-8,11,13-triene",32624-67-2,DTXSID50880718,614842,"10,18-bisnorabieta-8,11,13-triene",XWUVCHRGACWHNI-UHFFFAOYSA-N,"1-Methyl-7-(propan-2-yl)-1,2,3,4,4a,9,10,10a-octahydrophenanthrene",CC(C)C1=CC2=C(C=C1)C1CCCC(C)C1CC2,"InChI=1S/C18H26/c1-12(2)14-7-10-17-15(11-14)8-9-16-13(3)5-4-6-18(16)17/h7,10-13,16,18H,4-6,8-9H2,1-3H3",C18H26,242.2034508
1733,3-(Methylthio)propanal,3268-49-3,DTXSID9027528,18635,3-(Methylthio)propanal,CLUWOWRTHNNBBU-UHFFFAOYSA-N,3-(Methylsulfanyl)propanal,CSCCC=O,"InChI=1S/C4H8OS/c1-6-4-2-3-5/h3H,2,4H2,1H3",C4H8OS,104.0295861
1734,Octachlorodibenzo-p-dioxin,3268-87-9,DTXSID4025799,18636,Octachlorodibenzo-p-dioxin,FOIBFBMSLDGNHL-UHFFFAOYSA-N,Octachlorooxanthrene,ClC1=C(Cl)C2=C(OC3=C(Cl)C(Cl)=C(Cl)C(Cl)=C3O2)C(Cl)=C1Cl,InChI=1S/C12Cl8O2/c13-1-2(14)6(18)10-9(5(1)17)21-11-7(19)3(15)4(16)8(20)12(11)22-10,C12Cl8O2,455.7406508
1735,"Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, 2-[3-[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]-1-oxopropyl]hydrazide",32687-78-8,DTXSID6027979,61916,"Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, 2-[3-[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]-1-oxopropyl]hydrazide",HCILJBJJZALOAL-UHFFFAOYSA-N,"3-(3,5-Di-tert-butyl-4-hydroxyphenyl)-N'-[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoyl]propanehydrazide",CC(C)(C)C1=CC(CCC(=O)NNC(=O)CCC2=CC(=C(O)C(=C2)C(C)(C)C)C(C)(C)C)=CC(=C1O)C(C)(C)C,"InChI=1S/C34H52N2O4/c1-31(2,3)23-17-21(18-24(29(23)39)32(4,5)6)13-15-27(37)35-36-28(38)16-14-22-19-25(33(7,8)9)30(40)26(20-22)34(10,11)12/h17-20,39-40H,13-16H2,1-12H3,(H,35,37)(H,36,38)",C34H52N2O4,552.3927082
1736,"3,6,9,12-Tetraoxadocos-1-yl 2,2,2-trifluoroacetate (ACI)",327179-39-5,,526717,"3,6,9,12-Tetraoxadocos-1-yl 2,2,2-trifluoroacetate (ACI)",WWXQGPIMGLCDEB-UHFFFAOYSA-N,"2-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]ethyl 2,2,2-trifluoroacetate",O=C(OCCOCCOCCOCCOCCCCCCCCCC)C(F)(F)F,"InChI=1S/C20H37F3O6/c1-2-3-4-5-6-7-8-9-10-25-11-12-26-13-14-27-15-16-28-17-18-29-19(24)20(21,22)23/h2-18H2,1H3",C20H37F3O6,430.254
1738,"heptanoic acid, 2-ethyl-",3274-29-1,DTXSID40880929,18648,"heptanoic acid, 2-ethyl-",DYWSVUBJGFTOQC-UHFFFAOYSA-N,2-Ethylheptanoic acid,CCCCCC(CC)C(O)=O,"InChI=1S/C9H18O2/c1-3-5-6-7-8(4-2)9(10)11/h8H,3-7H2,1-2H3,(H,10,11)",C9H18O2,158.1306798
1739,Bromophenol,32762-51-9,DTXSID901054144,,Bromophenol,,,,,,
1740,"Benzene, 1,2-dichloro-3-methyl-",32768-54-0,DTXSID0067717,34702,"Benzene, 1,2-dichloro-3-methyl-",GWLKCPXYBLCEKC-UHFFFAOYSA-N,"1,2-Dichloro-3-methylbenzene",CC1=C(Cl)C(Cl)=CC=C1,"InChI=1S/C7H6Cl2/c1-5-3-2-4-6(8)7(5)9/h2-4H,1H3",C7H6Cl2,159.9846556
1741,"1,3,5-Tribromo-2-(prop-2-en-1-yloxy)benzene",3278-89-5,DTXSID3044918,76767,"1,3,5-Tribromo-2-(prop-2-en-1-yloxy)benzene",RZLLIOPGUFOWOD-UHFFFAOYSA-N,"1,3,5-Tribromo-2-[(prop-2-en-1-yl)oxy]benzene",BrC1=CC(Br)=C(OCC=C)C(Br)=C1,"InChI=1S/C9H7Br3O/c1-2-3-13-9-7(11)4-6(10)5-8(9)12/h2,4-5H,1,3H2",C9H7Br3O,367.804704
1742,2-methyl-5-hexen-3-ol,32815-70-6,DTXSID80880706,141746,2-methyl-5-hexen-3-ol,JKGMJZOZIJHPOH-UHFFFAOYSA-N,2-Methylhex-5-en-3-ol,CC(C)C(O)CC=C,"InChI=1S/C7H14O/c1-4-5-7(8)6(2)3/h4,6-8H,1,5H2,2-3H3",C7H14O,114.1044651
1743,"Cyclohexene, 1-butyl-",3282-53-9,DTXSID60186495,137878,"Cyclohexene, 1-butyl-",INNYVOGDZSDNIP-UHFFFAOYSA-N,1-Butylcyclohex-1-ene,CCCCC1=CCCCC1,"InChI=1S/C10H18/c1-2-3-7-10-8-5-4-6-9-10/h8H,2-7,9H2,1H3",C10H18,138.1408506
1744,2-Methoxyphenyl isothiocyanate,3288-04-8,DTXSID10334404,520599,2-Methoxyphenyl isothiocyanate,QKAOOWJWWKWWOZ-UHFFFAOYSA-N,1-Isothiocyanato-2-methoxybenzene,COC1=CC=CC=C1N=C=S,"InChI=1S/C8H7NOS/c1-10-8-5-3-2-4-7(8)9-6-11/h2-5H,1H3",C8H7NOS,165.024835
1745,"rel-(1S,4R)-1,2,3,4-Tetrahydro-1-phenyl-4-(1-phenylethyl)naphthalene (ACI)",328896-43-1,,,"rel-(1S,4R)-1,2,3,4-Tetrahydro-1-phenyl-4-(1-phenylethyl)naphthalene (ACI)",GJJWHYDGEZUFOW-VRPOPSPZNA-N,,C=1C=CC(=CC1)C2C=3C=CC=CC3C(CC2)C(C=4C=CC=CC4)C,"InChI=1S/C24H24/c1-18(19-10-4-2-5-11-19)21-16-17-22(20-12-6-3-7-13-20)24-15-9-8-14-23(21)24/h2-15,18,21-22H,16-17H2,1H3",,
1746,"rel-(1R,4R)-1,2,3,4-Tetrahydro-1-phenyl-4-(1-phenylethyl)naphthalene (ACI)",328896-44-2,,,"rel-(1R,4R)-1,2,3,4-Tetrahydro-1-phenyl-4-(1-phenylethyl)naphthalene (ACI)",GJJWHYDGEZUFOW-AWFKQKNKNA-N,,C=1C=CC(=CC1)C2C=3C=CC=CC3C(CC2)C(C=4C=CC=CC4)C,"InChI=1S/C24H24/c1-18(19-10-4-2-5-11-19)21-16-17-22(20-12-6-3-7-13-20)24-15-9-8-14-23(21)24/h2-15,18,21-22H,16-17H2,1H3",,
1747,"1,1,1-Trimethylolpropane trimethacrylate",3290-92-4,DTXSID3027530,18689,"1,1,1-Trimethylolpropane trimethacrylate",OKKRPWIIYQTPQF-UHFFFAOYSA-N,"2,2-Bis{[(2-methylprop-2-enoyl)oxy]methyl}butyl 2-methylprop-2-enoate",CCC(COC(=O)C(C)=C)(COC(=O)C(C)=C)COC(=O)C(C)=C,"InChI=1S/C18H26O6/c1-8-18(9-22-15(19)12(2)3,10-23-16(20)13(4)5)11-24-17(21)14(6)7/h2,4,6,8-11H2,1,3,5,7H3",C18H26O6,338.1729386
1748,"1,2,3,4-Tetrahydroacridine",3295-64-5,DTXSID70954586,155315,"1,2,3,4-Tetrahydroacridine",RXBYRTSOWREATF-UHFFFAOYSA-N,"1,2,3,4-Tetrahydroacridine",C1CCC2=NC3=CC=CC=C3C=C2C1,"InChI=1S/C13H13N/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12/h1,3,5,7,9H,2,4,6,8H2",C13H13N,183.1047994
1749,Linuron,330-55-2,DTXSID2024163,9502,Linuron,XKJMBINCVNINCA-UHFFFAOYSA-N,"N'-(3,4-Dichlorophenyl)-N-methoxy-N-methylurea",CON(C)C(=O)NC1=CC=C(Cl)C(Cl)=C1,"InChI=1S/C9H10Cl2N2O2/c1-13(15-2)9(14)12-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3,(H,12,14)",C9H10Cl2N2O2,248.011933
1750,(E)-14-Hexadecenal,330207-53-9,,5363106,(E)-14-Hexadecenal,XVOLIFYNNVCOPB-NSCUHMNNSA-N,(E)-hexadec-14-enal,O=CCCCCCCCCCCCCC=CC,"InChI=1S/C16H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h2-3,16H,4-15H2,1H3",C16H30O,238.23
1751,Isopropyl tert-butyl ether,33021-02-2,DTXSID10186667,118384,Isopropyl tert-butyl ether,UPOMCDPCTBJJDA-UHFFFAOYSA-N,1-tert-Butoxy-2-methylpropane,CC(C)COC(C)(C)C,"InChI=1S/C8H18O/c1-7(2)6-9-8(3,4)5/h7H,6H2,1-5H3",C8H18O,130.1357652
1752,N-L-Leucyl-L-leucine,3303-31-9,DTXSID00186696,76807,N-L-Leucyl-L-leucine,LCPYQJIKPJDLLB-UWVGGRQHSA-N,L-Leucyl-L-leucine,CC(C)C[C@H](N)C(=O)N[C@@H](CC(C)C)C(O)=O,"InChI=1S/C12H24N2O3/c1-7(2)5-9(13)11(15)14-10(12(16)17)6-8(3)4/h7-10H,5-6,13H2,1-4H3,(H,14,15)(H,16,17)/t9-,10-/m0/s1",C12H24N2O3,244.1786926
1753,"1-(1-Butenyl)-2,5-cycloheptadiene",33156-93-3,DTXSID00893792,6440990,"1-(1-Butenyl)-2,5-cycloheptadiene",KIFXGGYCNMHCSX-AEBAWRHJSA-N,"(6R)-6-[(1E)-But-1-en-1-yl]cyclohepta-1,4-diene",CC\C=C\[C@H]1CC=CCC=C1,"InChI=1S/C11H16/c1-2-3-8-11-9-6-4-5-7-10-11/h3-4,6-8,10-11H,2,5,9H2,1H3/b8-3+/t11-/m0/s1",C11H16,148.1252005
1754,"Dinonyl cyclohexane-1,2-dicarboxylate",331673-15-5,DTXSID70274054,12151622,"Dinonyl cyclohexane-1,2-dicarboxylate",GGLHXZYMYYBBHT-UHFFFAOYSA-N,"Dinonyl cyclohexane-1,2-dicarboxylate",CCCCCCCCCOC(=O)C1CCCCC1C(=O)OCCCCCCCCC,"InChI=1S/C26H48O4/c1-3-5-7-9-11-13-17-21-29-25(27)23-19-15-16-20-24(23)26(28)30-22-18-14-12-10-8-6-4-2/h23-24H,3-22H2,1-2H3",C26H48O4,424.35526
1755,Tris(2-ethylhexyl) trimellitate,3319-31-1,DTXSID9026265,18725,Tris(2-ethylhexyl) trimellitate,KRADHMIOFJQKEZ-UHFFFAOYSA-N,"Tris(2-ethylhexyl) benzene-1,2,4-tricarboxylate",CCCCC(CC)COC(=O)C1=CC=C(C(=O)OCC(CC)CCCC)C(=C1)C(=O)OCC(CC)CCCC,"InChI=1S/C33H54O6/c1-7-13-16-25(10-4)22-37-31(34)28-19-20-29(32(35)38-23-26(11-5)17-14-8-2)30(21-28)33(36)39-24-27(12-6)18-15-9-3/h19-21,25-27H,7-18,22-24H2,1-6H3",C33H54O6,546.3920395
1756,"Benzene, 1-chloro-2-isocyanato-",3320-83-0,DTXSID5062974,76833,"Benzene, 1-chloro-2-isocyanato-",NOHQUGRVHSJYMR-UHFFFAOYSA-N,1-Chloro-2-isocyanatobenzene,ClC1=C(C=CC=C1)N=C=O,InChI=1S/C7H4ClNO/c8-6-3-1-2-4-7(6)9-5-10/h1-4H,C7H4ClNO,152.9981415
1757,Endosulfan II,33213-65-9,DTXSID8037540,,Endosulfan II,RDYMFSUJUZBWLH-LLXUDWAZNA-N,"(5aR,6S,9S,9aS)-6,7,8,9,10,10-Hexachloro-1,5,5a,6,9,9a-hexahydro-3H-6,9-methano-3lambda~4~-2,4,3lambda~4~-benzodioxathiepin-3-one",[H][C@]12CO[S@](=O)OC[C@@]1([H])[C@@]1(Cl)C(Cl)=C(Cl)[C@]2(Cl)C1(Cl)Cl,"InChI=1S/C9H6Cl6O3S/c10-5-6(11)8(13)4-2-18-19(16)17-1-3(4)7(5,12)9(8,14)15/h3-4H,1-2H2/t3-,4+,7-,8+,19-",C9H6Cl6O3S,403.8168814
1758,Octadec-9-enamide,3322-62-1,DTXSID60859314,1930,Octadec-9-enamide,FATBGEAMYMYZAF-UHFFFAOYSA-N,Octadec-9-enamide,CCCCCCCCC=CCCCCCCCC(N)=O,"InChI=1S/C18H35NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H2,19,20)",C18H35NO,281.2718648
1759,"1,2-Dibromo-4-(1,2-dibromoethyl)cyclohexane",3322-93-8,DTXSID8024947,18728,"1,2-Dibromo-4-(1,2-dibromoethyl)cyclohexane",PQRRSJBLKOPVJV-UHFFFAOYSA-N,"1,2-Dibromo-4-(1,2-dibromoethyl)cyclohexane",BrCC(Br)C1CCC(Br)C(Br)C1,"InChI=1S/C8H12Br4/c9-4-8(12)5-1-2-6(10)7(11)3-5/h5-8H,1-4H2",C8H12Br4,423.767252
1760,"2,4-Diphenylthiophene",3328-86-7,DTXSID50334408,520616,"2,4-Diphenylthiophene",FKHVUWRLXRMJLF-UHFFFAOYSA-N,"2,4-Diphenylthiophene",S1C=C(C=C1C1=CC=CC=C1)C1=CC=CC=C1,InChI=1S/C16H12S/c1-3-7-13(8-4-1)15-11-16(17-12-15)14-9-5-2-6-10-14/h1-12H,C16H12S,236.0659716
1761,"2,4-Dichlorobiphenyl",33284-50-3,DTXSID8040301,36399,"2,4-Dichlorobiphenyl",WEJZHZJJXPXXMU-UHFFFAOYSA-N,"2,4-Dichloro-1,1'-biphenyl",ClC1=CC(Cl)=C(C=C1)C1=CC=CC=C1,InChI=1S/C12H8Cl2/c13-10-6-7-11(12(14)8-10)9-4-2-1-3-5-9/h1-8H,C12H8Cl2,222.0003057
1762,Tetramethylsuccinonitrile,3333-52-6,DTXSID0026125,18745,Tetramethylsuccinonitrile,ZVQXQPNJHRNGID-UHFFFAOYSA-N,Tetramethylbutanedinitrile,CC(C)(C#N)C(C)(C)C#N,"InChI=1S/C8H12N2/c1-7(2,5-9)8(3,4)6-10/h1-4H3",C8H12N2,136.1000484
1763,"1,1?-[2-[(1-Oxooctyl)oxy]-1,3-propanediyl] didecanoate (ACI)",33368-86-4,,10186592,"1,1?-[2-[(1-Oxooctyl)oxy]-1,3-propanediyl] didecanoate (ACI)",CYHAOTQWWRWBAF-UHFFFAOYSA-N,(3-decanoyloxy-2-octanoyloxypropyl) decanoate,O=C(OCC(OC(=O)CCCCCCC)COC(=O)CCCCCCCCC)CCCCCCCCC,"InChI=1S/C31H58O6/c1-4-7-10-13-15-18-20-23-29(32)35-26-28(37-31(34)25-22-17-12-9-6-3)27-36-30(33)24-21-19-16-14-11-8-5-2/h28H,4-27H2,1-3H3",C31H58O6,526.423
1764,2-[(1-Oxooctyl)oxy]-1-[[(1-oxooctyl)oxy]methyl]ethyl decanoate (ACI),33368-87-5,,10436013,2-[(1-Oxooctyl)oxy]-1-[[(1-oxooctyl)oxy]methyl]ethyl decanoate (ACI),GVUCZFUFLQMFID-UHFFFAOYSA-N,"1,3-di(octanoyloxy)propan-2-yl decanoate",O=C(OCC(OC(=O)CCCCCCCCC)COC(=O)CCCCCCC)CCCCCCC,"InChI=1S/C29H54O6/c1-4-7-10-13-14-17-20-23-29(32)35-26(24-33-27(30)21-18-15-11-8-5-2)25-34-28(31)22-19-16-12-9-6-3/h26H,4-25H2,1-3H3",C29H54O6,498.392
1765,Decanoic acid,334-48-5,DTXSID9021554,2969,Decanoic acid,GHVNFZFCNZKVNT-UHFFFAOYSA-N,Decanoic acid,CCCCCCCCCC(O)=O,"InChI=1S/C10H20O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-9H2,1H3,(H,11,12)",C10H20O2,172.1463299
1766,1-Fluorododecane,334-68-9,DTXSID6074706,9548,1-Fluorododecane,YHYBNVZCQIDLSQ-UHFFFAOYSA-N,1-Fluorododecane,CCCCCCCCCCCCF,"InChI=1S/C12H25F/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-12H2,1H3",C12H25F,188.194029
1767,"1,1,4-Trimethyldiethylenetrimine",33451-85-3,DTXSID20187100,193156,"1,1,4-Trimethyldiethylenetrimine",KRDDBYPPQLOAPV-UHFFFAOYSA-N,"N~1~-(2-Aminoethyl)-N~1~,N~2~,N~2~-trimethylethane-1,2-diamine",CN(C)CCN(C)CCN,"InChI=1S/C7H19N3/c1-9(2)6-7-10(3)5-4-8/h4-8H2,1-3H3",C7H19N3,145.1578976
1768,Perfluorooctanoic acid,335-67-1,DTXSID8031865,9554,Perfluorooctanoic acid,SNGREZUHAYWORS-UHFFFAOYSA-N,Pentadecafluorooctanoic acid,OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1S/C8HF15O2/c9-2(10,1(24)25)3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)23/h(H,24,25)",C8HF15O2,413.9737017
1769,"Methylchrysene, 1-",3351-28-8,DTXSID1074759,18779,"Methylchrysene, 1-",LQKGSLMFGWWLIU-UHFFFAOYSA-N,1-Methylchrysene,CC1=C2C=CC3=C(C=CC4=CC=CC=C34)C2=CC=C1,"InChI=1S/C19H14/c1-13-5-4-8-17-15(13)11-12-18-16-7-3-2-6-14(16)9-10-19(17)18/h2-12H,1H3",C19H14,242.1095505
1770,"N,N-Diethyldodecanamide",3352-87-2,DTXSID5044655,18783,"N,N-Diethyldodecanamide",CWNSVVHTTQBGQB-UHFFFAOYSA-N,"N,N-Diethyldodecanamide",CCCCCCCCCCCC(=O)N(CC)CC,"InChI=1S/C16H33NO/c1-4-7-8-9-10-11-12-13-14-15-16(18)17(5-2)6-3/h4-15H2,1-3H3",C16H33NO,255.2562147
1771,4-Methylpyrene,3353-12-6,DTXSID50187178,18784,4-Methylpyrene,IXAFAYIIDHDJHN-UHFFFAOYSA-N,4-Methylpyrene,CC1=CC2=CC=CC3=C2C2=C(C=CC=C12)C=C3,"InChI=1S/C17H12/c1-11-10-14-6-2-4-12-8-9-13-5-3-7-15(11)17(13)16(12)14/h2-10H,1H3",C17H12,216.0939004
1772,"2(3H)-Furanone, dihydro-4-methyl-5-pentyl-",33673-62-0,DTXSID70865683,97707,"2(3H)-Furanone, dihydro-4-methyl-5-pentyl-",LOQFOBUZYRBURV-UHFFFAOYSA-N,4-Methyl-5-pentyloxolan-2-one,CCCCCC1OC(=O)CC1C,"InChI=1S/C10H18O2/c1-3-4-5-6-9-8(2)7-10(11)12-9/h8-9H,3-7H2,1-2H3",C10H18O2,170.1306798
1773,Diisononyl adipate,33703-08-1,DTXSID5027982,,Diisononyl adipate,,,,,,
1774,"1,3-Dibromo-2-(3-bromophenoxy)benzene",337513-53-8,DTXSID20783707,71359878,"1,3-Dibromo-2-(3-bromophenoxy)benzene",JUPZALSVNWJHII-UHFFFAOYSA-N,"1,3-Dibromo-2-(3-bromophenoxy)benzene",BrC1=CC=CC(OC2=C(Br)C=CC=C2Br)=C1,InChI=1S/C12H7Br3O/c13-8-3-1-4-9(7-8)16-12-10(14)5-2-6-11(12)15/h1-7H,C12H7Br3O,403.804704
1775,BDE-38,337513-54-9,DTXSID10879865,85785801,BDE-38,DPGVQKLGQZZLMI-UHFFFAOYSA-N,"1,2,3-Tribromo-5-phenoxybenzene",BrC1=CC(OC2=CC=CC=C2)=CC(Br)=C1Br,InChI=1S/C12H7Br3O/c13-10-6-9(7-11(14)12(10)15)16-8-4-2-1-3-5-8/h1-7H,C12H7Br3O,403.804704
1777,BDE-29,337513-56-1,DTXSID10879860,85785805,BDE-29,LTMKAFUXYKEDLR-UHFFFAOYSA-N,"1,2,4-Tribromo-5-phenoxybenzene",BrC1=CC(Br)=C(Br)C=C1OC1=CC=CC=C1,InChI=1S/C12H7Br3O/c13-9-6-11(15)12(7-10(9)14)16-8-4-2-1-3-5-8/h1-7H,C12H7Br3O,403.804704
1778,BDE-9,337513-66-3,DTXSID80879852,54331028,BDE-9,URDWJMUOJJSXAE-UHFFFAOYSA-N,"1,4-Dibromo-2-phenoxybenzene",BrC1=CC=C(Br)C(OC2=CC=CC=C2)=C1,InChI=1S/C12H8Br2O/c13-9-6-7-11(14)12(8-9)15-10-4-2-1-3-5-10/h1-8H,C12H8Br2O,325.894191
1779,"1,2,3,4,5-Pentabromo-6-(2,4,5-tribromophenoxy)benzene",337513-72-1,DTXSID7074749,36160,"1,2,3,4,5-Pentabromo-6-(2,4,5-tribromophenoxy)benzene",RTUZOQFRIPIWPS-UHFFFAOYSA-N,"1,2,3,4,5-Pentabromo-6-(2,4,5-tribromophenoxy)benzene",BrC1=CC(Br)=C(Br)C=C1OC1=C(Br)C(Br)=C(Br)C(Br)=C1Br,InChI=1S/C12H2Br8O/c13-3-1-5(15)6(2-4(3)14)21-12-10(19)8(17)7(16)9(18)11(12)20/h1-2H,C12H2Br8O,793.357269
1780,"1,4-Dibromo-2-(3-bromophenoxy)benzene",337513-75-4,DTXSID60783706,71359877,"1,4-Dibromo-2-(3-bromophenoxy)benzene",VUOBKVBAFJQQDB-UHFFFAOYSA-N,"1,4-Dibromo-2-(3-bromophenoxy)benzene",BrC1=CC(OC2=CC(Br)=CC=C2)=C(Br)C=C1,InChI=1S/C12H7Br3O/c13-8-2-1-3-10(6-8)16-12-7-9(14)4-5-11(12)15/h1-7H,C12H7Br3O,403.804704
1782,"Phosphonic acid, (p-hydroxyphenyl)-",33795-18-5,DTXSID30187454,214694,"Phosphonic acid, (p-hydroxyphenyl)-",YIDVLWDHYNWHMH-UHFFFAOYSA-N,(4-Hydroxyphenyl)phosphonic acid,OC1=CC=C(C=C1)P(O)(O)=O,"InChI=1S/C6H7O4P/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4,7H,(H2,8,9,10)",C6H7O4P,174.0081957
1783,Triclosan,3380-34-5,DTXSID5032498,5564,Triclosan,XEFQLINVKFYRCS-UHFFFAOYSA-N,"5-Chloro-2-(2,4-dichlorophenoxy)phenol",OC1=C(OC2=CC=C(Cl)C=C2Cl)C=CC(Cl)=C1,"InChI=1S/C12H7Cl3O2/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6,16H",C12H7Cl3O2,287.9511626
1784,"3,5-Di-tert-butyl-1,2-benzoquinone",3383-21-9,DTXSID70187478,76915,"3,5-Di-tert-butyl-1,2-benzoquinone",NOUZOVBGCDDMSX-UHFFFAOYSA-N,"3,5-Di-tert-butylcyclohexa-3,5-diene-1,2-dione",CC(C)(C)C1=CC(=O)C(=O)C(=C1)C(C)(C)C,"InChI=1S/C14H20O2/c1-13(2,3)9-7-10(14(4,5)6)12(16)11(15)8-9/h7-8H,1-6H3",C14H20O2,220.1463299
1785,Nonaethylene glycol,3386-18-3,DTXSID10187492,4867,Nonaethylene glycol,YZUUTMGDONTGTN-UHFFFAOYSA-N,"3,6,9,12,15,18,21,24-Octaoxahexacosane-1,26-diol",OCCOCCOCCOCCOCCOCCOCCOCCOCCO,"InChI=1S/C18H38O10/c19-1-3-21-5-7-23-9-11-25-13-15-27-17-18-28-16-14-26-12-10-24-8-6-22-4-2-20/h19-20H,1-18H2",C18H38O10,414.2464974
1786,1-Octen-3-ol,3391-86-4,DTXSID3035214,18827,1-Octen-3-ol,VSMOENVRRABVKN-UHFFFAOYSA-N,Oct-1-en-3-ol,CCCCCC(O)C=C,"InChI=1S/C8H16O/c1-3-5-6-7-8(9)4-2/h4,8-9H,2-3,5-7H2,1H3",C8H16O,128.1201151
1787,"(8E,10E)-8,10-Dodecadien-1-ol",33956-49-9,DTXSID1035288,1787910,"(8E,10E)-8,10-Dodecadien-1-ol",CSWBSLXBXRFNST-MQQKCMAXSA-N,"(8E,10E)-Dodeca-8,10-dien-1-ol",C\C=C\C=C\CCCCCCCO,"InChI=1S/C12H22O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-5,13H,6-12H2,1H3/b3-2+,5-4+",C12H22O,182.1670653
1788,"2,2',4,4',6,6'-Hexachlorobiphenyl",33979-03-2,DTXSID3040302,36647,"2,2',4,4',6,6'-Hexachlorobiphenyl",ICOAEPDGFWLUTI-UHFFFAOYSA-N,"2,2',4,4',6,6'-Hexachloro-1,1'-biphenyl",ClC1=CC(Cl)=C(C(Cl)=C1)C1=C(Cl)C=C(Cl)C=C1Cl,InChI=1S/C12H4Cl6/c13-5-1-7(15)11(8(16)2-5)12-9(17)3-6(14)4-10(12)18/h1-4H,C12H4Cl6,357.8444163
1789,Butyl methyl phthalate,34006-76-3,DTXSID7074325,36655,Butyl methyl phthalate,XXFSYINDUHLBIL-UHFFFAOYSA-N,"Butyl methyl benzene-1,2-dicarboxylate",CCCCOC(=O)C1=C(C=CC=C1)C(=O)OC,"InChI=1S/C13H16O4/c1-3-4-9-17-13(15)11-8-6-5-7-10(11)12(14)16-2/h5-8H,3-4,9H2,1-2H3",C13H16O4,236.104859
1790,"hexane, 3-methyl-4-methylene-",3404-67-9,DTXSID30871023,103004,"hexane, 3-methyl-4-methylene-",YXLCVBVDFKWWRW-UHFFFAOYSA-N,3-Methyl-4-methylidenehexane,CCC(C)C(=C)CC,"InChI=1S/C8H16/c1-5-7(3)8(4)6-2/h8H,3,5-6H2,1-2,4H3",C8H16,112.1252005
1791,"3,3-Dimethyl-1-hexene",3404-77-1,DTXSID00187648,137924,"3,3-Dimethyl-1-hexene",RXYYKIMRVXDSFR-UHFFFAOYSA-N,"3,3-Dimethylhex-1-ene",CCCC(C)(C)C=C,"InChI=1S/C8H16/c1-5-7-8(3,4)6-2/h6H,2,5,7H2,1,3-4H3",C8H16,112.1252005
1792,"2-Butanone, 4-(methylthio)-",34047-39-7,DTXSID4067808,61922,"2-Butanone, 4-(methylthio)-",DRGHCRKOWMAZAO-UHFFFAOYSA-N,4-(Methylsulfanyl)butan-2-one,CSCCC(C)=O,"InChI=1S/C5H10OS/c1-5(6)3-4-7-2/h3-4H2,1-2H3",C5H10OS,118.0452361
1793,6-Isopropyl-2-decahydronaphthalenol,34131-99-2,DTXSID70865704,94453,6-Isopropyl-2-decahydronaphthalenol,JBMLIVNFPGPRCB-UHFFFAOYSA-N,6-(Propan-2-yl)decahydronaphthalen-2-ol,CC(C)C1CCC2CC(O)CCC2C1,"InChI=1S/C13H24O/c1-9(2)10-3-4-12-8-13(14)6-5-11(12)7-10/h9-14H,3-8H2,1-2H3",C13H24O,196.1827154
1794,Phthalimidoacetone,3416-57-7,DTXSID40284160,235046,Phthalimidoacetone,STMRGLKPBJVVEG-UHFFFAOYSA-N,"2-(2-Oxopropyl)-1H-isoindole-1,3(2H)-dione",CC(=O)CN1C(=O)C2=CC=CC=C2C1=O,"InChI=1S/C11H9NO3/c1-7(13)6-12-10(14)8-4-2-3-5-9(8)11(12)15/h2-5H,6H2,1H3",C11H9NO3,203.0582432
1795,"Carbamic acid, 1,4-butanediylbis[(4-aminobutyl)-, bis(1,1-dimethylethyl) ester (9CI)",343247-50-7,,10717538,"Carbamic acid, 1,4-butanediylbis[(4-aminobutyl)-, bis(1,1-dimethylethyl) ester (9CI)",MSHWZRKHQVYKEO-UHFFFAOYSA-N,tert-butyl N-(4-aminobutyl)-N-[4-[4-aminobutyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butyl]carbamate,O=C(OC(C)(C)C)N(CCCCN)CCCCN(C(=O)OC(C)(C)C)CCCCN,"InChI=1S/C22H46N4O4/c1-21(2,3)29-19(27)25(15-9-7-13-23)17-11-12-18-26(16-10-8-14-24)20(28)30-22(4,5)6/h7-18,23-24H2,1-6H3",C22H46N4O4,430.352
1796,"cyclopropane, 2-chloro-1-ethyl-1-methyl-",343926-09-0,DTXSID70880775,544586,"cyclopropane, 2-chloro-1-ethyl-1-methyl-",KQUOTZVUIAGCSG-UHFFFAOYSA-N,2-Chloro-1-ethyl-1-methylcyclopropane,CCC1(C)CC1Cl,"InChI=1S/C6H11Cl/c1-3-6(2)4-5(6)7/h5H,3-4H2,1-2H3",C6H11Cl,118.0549281
1797,2-Methylpyrene,3442-78-2,DTXSID4063030,18932,2-Methylpyrene,VIRFPLJXRDHVEI-UHFFFAOYSA-N,2-Methylpyrene,CC1=CC2=CC=C3C=CC=C4C=CC(=C1)C2=C34,"InChI=1S/C17H12/c1-11-9-14-7-5-12-3-2-4-13-6-8-15(10-11)17(14)16(12)13/h2-10H,1H3",C17H12,216.0939004
1798,Glyceryl 2-linoleate,3443-82-1,DTXSID301016998,5365676,Glyceryl 2-linoleate,IEPGNWMPIFDNSD-HZJYTTRNSA-N,"1,3-Dihydroxypropan-2-yl (9Z,12Z)-octadeca-9,12-dienoate",CCCCC\C=C/C\C=C/CCCCCCCC(=O)OC(CO)CO,"InChI=1S/C21H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-20(18-22)19-23/h6-7,9-10,20,22-23H,2-5,8,11-19H2,1H3/b7-6-,10-9-",C21H38O4,354.2770097
1799,4-(Methylthio)benzaldehyde,3446-89-7,DTXSID0033047,76985,4-(Methylthio)benzaldehyde,QRVYABWJVXXOTN-UHFFFAOYSA-N,4-(Methylsulfanyl)benzaldehyde,CSC1=CC=C(C=O)C=C1,"InChI=1S/C8H8OS/c1-10-8-4-2-7(6-9)3-5-8/h2-6H,1H3",C8H8OS,152.0295861
1800,"4,4'-Difluorobenzophenone",345-92-6,DTXSID30188062,9582,"4,4'-Difluorobenzophenone",LSQARZALBDFYQZ-UHFFFAOYSA-N,Bis(4-fluorophenyl)methanone,FC1=CC=C(C=C1)C(=O)C1=CC=C(F)C=C1,InChI=1S/C13H8F2O/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8H,C13H8F2O,218.0543212
1801,"3,5,5-Trimethyl-1-hexanol",3452-97-9,DTXSID7029661,18938,"3,5,5-Trimethyl-1-hexanol",BODRLKRKPXBDBN-UHFFFAOYSA-N,"3,5,5-Trimethylhexan-1-ol",CC(CCO)CC(C)(C)C,"InChI=1S/C9H20O/c1-8(5-6-10)7-9(2,3)4/h8,10H,5-7H2,1-4H3",C9H20O,144.1514153
1802,"1,2,3,4,7,7-Hexachloro-5-(pentabromophenyl)bicyclo[2.2.1]hept-2-ene",34571-16-9,DTXSID70956080,73555742,"1,2,3,4,7,7-Hexachloro-5-(pentabromophenyl)bicyclo[2.2.1]hept-2-ene",JKTRLGAVPREUKI-UHFFFAOYSA-N,"1,2,3,4,7,7-Hexachloro-5-(pentabromophenyl)bicyclo[2.2.1]hept-2-ene",ClC1=C(Cl)C2(Cl)C(CC1(Cl)C2(Cl)Cl)C1=C(Br)C(Br)=C(Br)C(Br)=C1Br,"InChI=1S/C13H3Br5Cl6/c14-4-3(5(15)7(17)8(18)6(4)16)2-1-11(21)9(19)10(20)12(2,22)13(11,23)24/h2H,1H2",C13H3Br5Cl6,763.428281
1803,Dipropylene glycol monomethyl ether,34590-94-8,DTXSID0027983,,Dipropylene glycol monomethyl ether,,,,,,
1804,"N-[3,5-Bis(trifluoromethyl)phenyl]-2-(methylthio)benzamide (ACI)",345991-15-3,,592080,"N-[3,5-Bis(trifluoromethyl)phenyl]-2-(methylthio)benzamide (ACI)",OONLHBIUGVEMJT-UHFFFAOYSA-N,"N-[3,5-bis(trifluoromethyl)phenyl]-2-methylsulfanylbenzamide",O=C(NC=1C=C(C=C(C1)C(F)(F)F)C(F)(F)F)C=2C=CC=CC2SC,"InChI=1S/C16H11F6NOS/c1-25-13-5-3-2-4-12(13)14(24)23-11-7-9(15(17,18)19)6-10(8-11)16(20,21)22/h2-8H,1H3,(H,23,24)",C16H11F6NOS,379.047
1805,3-?-Mycarosylerythronolide B,34698-88-9,DTXSID401309491,,3-α-Mycarosylerythronolide B,WWWXDCNRNMZGEN-XAEZXCBGSA-N,"(3R,4S,5R,6R,7R,9R,11R,12S,13R,14R)-4-{[(2R,4R,5S,6S)-4,5-Dihydroxy-4,6-dimethyloxan-2-yl]oxy}-14-ethyl-6,7,12-trihydroxy-3,5,7,9,11,13-hexamethyl-1-oxacyclotetradecane-2,10-dione",CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(O)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@H]1C,"InChI=1S/C28H50O10/c1-10-19-14(3)22(30)15(4)21(29)13(2)11-27(8,34)24(31)16(5)23(17(6)26(33)37-19)38-20-12-28(9,35)25(32)18(7)36-20/h13-20,22-25,30-32,34-35H,10-12H2,1-9H3/t13-,14+,15+,16+,17-,18+,19-,20+,22+,23+,24-,25+,27-,28-/m1/s1",C28H50O10,546.3403978
1806,"2,5-Pyrrolidinedione, 1-butyl-",3470-96-0,DTXSID60188252,137956,"2,5-Pyrrolidinedione, 1-butyl-",HKAIIKVJIRPASO-UHFFFAOYSA-N,"1-Butylpyrrolidine-2,5-dione",CCCCN1C(=O)CCC1=O,"InChI=1S/C8H13NO2/c1-2-3-6-9-7(10)4-5-8(9)11/h2-6H2,1H3",C8H13NO2,155.0946287
1807,N-Propylsuccinamide,3470-97-1,DTXSID20188253,18983,N-Propylsuccinamide,BTNMOVUCMBMKNZ-UHFFFAOYSA-N,"1-Propylpyrrolidine-2,5-dione",CCCN1C(=O)CCC1=O,"InChI=1S/C7H11NO2/c1-2-5-8-6(9)3-4-7(8)10/h2-5H2,1H3",C7H11NO2,141.0789786
1808,"2,4'-Dichlorobiphenyl",34883-43-7,DTXSID0022511,36982,"2,4'-Dichlorobiphenyl",UFNIBRDIUNVOMX-UHFFFAOYSA-N,"2,4'-Dichloro-1,1'-biphenyl",ClC1=CC=C(C=C1)C1=C(Cl)C=CC=C1,InChI=1S/C12H8Cl2/c13-10-7-5-9(6-8-10)11-3-1-2-4-12(11)14/h1-8H,C12H8Cl2,222.0003057
1809,N-Methylhomoveratrylamine,3490-06-0,DTXSID70188460,77039,N-Methylhomoveratrylamine,HNJWKRMESUMDQE-UHFFFAOYSA-N,"2-(3,4-Dimethoxyphenyl)-N-methylethan-1-amine",CNCCC1=CC(OC)=C(OC)C=C1,"InChI=1S/C11H17NO2/c1-12-7-6-9-4-5-10(13-2)11(8-9)14-3/h4-5,8,12H,6-7H2,1-3H3",C11H17NO2,195.1259288
1810,Phenyl di(p-tolyl) phosphate,34909-69-8,DTXSID10188464,631942,Phenyl di(p-tolyl) phosphate,NVMHZSCMWYZDCC-UHFFFAOYSA-N,Bis(4-methylphenyl) phenyl phosphate,CC1=CC=C(OP(=O)(OC2=CC=CC=C2)OC2=CC=C(C)C=C2)C=C1,"InChI=1S/C20H19O4P/c1-16-8-12-19(13-9-16)23-25(21,22-18-6-4-3-5-7-18)24-20-14-10-17(2)11-15-20/h3-15H,1-2H3",C20H19O4P,354.1020961
1811,2-Ethylhexyl 2-methylpropanoate,35061-61-1,DTXSID30956506,118207,2-Ethylhexyl 2-methylpropanoate,FTYSFPPFCAOKDQ-UHFFFAOYSA-N,2-Ethylhexyl 2-methylpropanoate,CCCCC(CC)COC(=O)C(C)C,"InChI=1S/C12H24O2/c1-5-7-8-11(6-2)9-14-12(13)10(3)4/h10-11H,5-9H2,1-4H3",C12H24O2,200.17763
1812,"2,2',4,4',5,5'-Hexachlorobiphenyl",35065-27-1,DTXSID2032180,37034,"2,2',4,4',5,5'-Hexachlorobiphenyl",MVWHGTYKUMDIHL-UHFFFAOYSA-N,"2,2',4,4',5,5'-Hexachloro-1,1'-biphenyl",ClC1=CC(Cl)=C(C=C1Cl)C1=CC(Cl)=C(Cl)C=C1Cl,InChI=1S/C12H4Cl6/c13-7-3-11(17)9(15)1-5(7)6-2-10(16)12(18)4-8(6)14/h1-4H,C12H4Cl6,357.8444163
1813,"2,2',3,4,4',5'-Hexachlorobiphenyl",35065-28-2,DTXSID8038300,37035,"2,2',3,4,4',5'-Hexachlorobiphenyl",RPUMZMSNLZHIGZ-UHFFFAOYSA-N,"2,2',3,4,4',5'-Hexachloro-1,1'-biphenyl",ClC1=CC(Cl)=C(C=C1Cl)C1=C(Cl)C(Cl)=C(Cl)C=C1,InChI=1S/C12H4Cl6/c13-7-2-1-5(11(17)12(7)18)6-3-9(15)10(16)4-8(6)14/h1-4H,C12H4Cl6,357.8444163
1814,"2,2',3,4,4',5,5'-Heptachlorobiphenyl",35065-29-3,DTXSID6038299,37036,"2,2',3,4,4',5,5'-Heptachlorobiphenyl",WBHQEUPUMONIKF-UHFFFAOYSA-N,"2,2',3,4,4',5,5'-Heptachloro-1,1'-biphenyl",ClC1=CC(Cl)=C(C=C1Cl)C1=C(Cl)C(Cl)=C(Cl)C(Cl)=C1,InChI=1S/C12H3Cl7/c13-6-3-8(15)7(14)1-4(6)5-2-9(16)11(18)12(19)10(5)17/h1-3H,C12H3Cl7,391.805444
1815,"2,2',3,3',4,4',5-Heptachlorobiphenyl",35065-30-6,DTXSID2073481,37037,"2,2',3,3',4,4',5-Heptachlorobiphenyl",RMPWIIKNWPVWNG-UHFFFAOYSA-N,"2,2',3,3',4,4',5-Heptachloro-1,1'-biphenyl",ClC1=CC(=C(Cl)C(Cl)=C1Cl)C1=C(Cl)C(Cl)=C(Cl)C=C1,InChI=1S/C12H3Cl7/c13-6-2-1-4(8(15)10(6)17)5-3-7(14)11(18)12(19)9(5)16/h1-3H,C12H3Cl7,391.805444
1816,3-Methoxy-4-[(4-methylbenzyl)oxy]benzaldehyde,351066-36-9,DTXSID00341147,570617,3-Methoxy-4-[(4-methylbenzyl)oxy]benzaldehyde,YXMSGTVWNGZDMN-UHFFFAOYSA-N,3-Methoxy-4-[(4-methylphenyl)methoxy]benzaldehyde,COC1=C(OCC2=CC=C(C)C=C2)C=CC(C=O)=C1,"InChI=1S/C16H16O3/c1-12-3-5-13(6-4-12)11-19-15-8-7-14(10-17)9-16(15)18-2/h3-10H,11H2,1-2H3",C16H16O3,256.1099444
1817,"1,3,5-Tribromo-2-(2,3-dibromopropoxy)benzene",35109-60-5,DTXSID5052705,118216,"1,3,5-Tribromo-2-(2,3-dibromopropoxy)benzene",QXWYPAKUEHGJSG-UHFFFAOYSA-N,"1,3,5-Tribromo-2-(2,3-dibromopropoxy)benzene",BrCC(Br)COC1=C(Br)C=C(Br)C=C1Br,"InChI=1S/C9H7Br5O/c10-3-6(12)4-15-9-7(13)1-5(11)2-8(9)14/h1-2,6H,3-4H2",C9H7Br5O,525.64138
1818,Heptabromobiphenyl,35194-78-6,DTXSID90188689,,Heptabromobiphenyl,,,,,,
1819,7-Tetradecyne,35216-11-6,DTXSID00188716,141979,7-Tetradecyne,AFNWSIIBAYUTTL-UHFFFAOYSA-N,Tetradec-7-yne,CCCCCCC#CCCCCCC,"InChI=1S/C14H26/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h3-12H2,1-2H3",C14H26,194.2034508
1820,Abietadiene,35241-40-8,DTXSID40332099,443470,Abietadiene,BBPXZLJCPUPNGH-CMKODMSKSA-N,"Abieta-7,13-diene",CC(C)C1=CC2=CC[C@H]3C(C)(C)CCC[C@]3(C)[C@H]2CC1,"InChI=1S/C20H32/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h8,13-14,17-18H,6-7,9-12H2,1-5H3/t17-,18-,20+/m0/s1",C20H32,272.250401
1821,"2-Chloro-4,6-dinitroaniline",3531-19-9,DTXSID6063062,19052,"2-Chloro-4,6-dinitroaniline",LHRIICYSGQGXSX-UHFFFAOYSA-N,"2-Chloro-4,6-dinitroaniline",NC1=C(Cl)C=C(C=C1[N+]([O-])=O)[N+]([O-])=O,"InChI=1S/C6H4ClN3O4/c7-4-1-3(9(11)12)2-5(6(4)8)10(13)14/h1-2H,8H2",C6H4ClN3O4,216.9890333
1822,cis-2-methyl-7-octadecene,35354-39-3,DTXSID90880732,6242671,cis-2-methyl-7-octadecene,XDBKLFODBADBED-YPKPFQOOSA-N,(7Z)-2-Methyloctadec-7-ene,CCCCCCCCCC\C=C/CCCCC(C)C,"InChI=1S/C19H38/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(2)3/h13-14,19H,4-12,15-18H2,1-3H3/b14-13-",C19H38,266.2973512
1823,2-Hydroxy-1-methylethyl octadecanoate (ACI),3539-36-4,,19818079,2-Hydroxy-1-methylethyl octadecanoate (ACI),IBQWRULIBDEOPW-UHFFFAOYSA-N,1-hydroxypropan-2-yl octadecanoate,O=C(OC(C)CO)CCCCCCCCCCCCCCCCC,"InChI=1S/C21H42O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(23)24-20(2)19-22/h20,22H,3-19H2,1-2H3",C21H42O3,342.313
1824,Benzhydryl isothiocyanate,3550-21-8,DTXSID30334446,520742,Benzhydryl isothiocyanate,WDOSFTZMBFYTED-UHFFFAOYSA-N,"1,1'-(Isothiocyanatomethylene)dibenzene",S=C=NC(C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C14H11NS/c16-11-15-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14H",C14H11NS,225.0612205
1825,"7-hexadecene, (z)-",35507-09-6,DTXSID90880853,5364564,"7-hexadecene, (z)-",JZPUSPPFVAJNGY-SQFISAMPSA-N,(7Z)-Hexadec-7-ene,CCCCCCCC\C=C/CCCCCC,"InChI=1S/C16H32/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h13,15H,3-12,14,16H2,1-2H3/b15-13-",C16H32,224.250401
1826,(2-Methoxyethyl)benzene,3558-60-9,DTXSID1052032,19089,(2-Methoxyethyl)benzene,CQLYXIUHVFRXLT-UHFFFAOYSA-N,(2-Methoxyethyl)benzene,COCCC1=CC=CC=C1,"InChI=1S/C9H12O/c1-10-8-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3",C9H12O,136.088815
1827,"2,2',5,5'-Tetrachlorobiphenyl",35693-99-3,DTXSID3038305,37248,"2,2',5,5'-Tetrachlorobiphenyl",HCWZEPKLWVAEOV-UHFFFAOYSA-N,"2,2',5,5'-Tetrachloro-1,1'-biphenyl",ClC1=CC(=C(Cl)C=C1)C1=C(Cl)C=CC(Cl)=C1,InChI=1S/C12H6Cl4/c13-7-1-3-11(15)9(5-7)10-6-8(14)2-4-12(10)16/h1-6H,C12H6Cl4,289.922361
1828,"2,2',3,3',4,4',5,5'-Octachlorobiphenyl",35694-08-7,DTXSID5074139,37251,"2,2',3,3',4,4',5,5'-Octachlorobiphenyl",DTMRKGRREZAYAP-UHFFFAOYSA-N,"2,2',3,3',4,4',5,5'-Octachloro-1,1'-biphenyl",ClC1=CC(=C(Cl)C(Cl)=C1Cl)C1=C(Cl)C(Cl)=C(Cl)C(Cl)=C1,InChI=1S/C12H2Cl8/c13-5-1-3(7(15)11(19)9(5)17)4-2-6(14)10(18)12(20)8(4)16/h1-2H,C12H2Cl8,425.7664717
1829,methyl diphenyl phosphite,3577-87-5,DTXSID80334451,520764,methyl diphenyl phosphite,NYCZNDFWFCCTPA-UHFFFAOYSA-N,Methyl diphenyl phosphite,COP(OC1=CC=CC=C1)OC1=CC=CC=C1,"InChI=1S/C13H13O3P/c1-14-17(15-12-8-4-2-5-9-12)16-13-10-6-3-7-11-13/h2-11H,1H3",C13H13O3P,248.0602313
1830,"3-[[3,5-Diiodo-4-(2-propen-1-yloxy)phenyl]methylene]-5-(4-methoxyphenyl)-2(3H)-furanone (ACI)",357956-13-9,,,"3-[[3,5-Diiodo-4-(2-propen-1-yloxy)phenyl]methylene]-5-(4-methoxyphenyl)-2(3H)-furanone (ACI)",WLXRMAPDDVNOJS-UHFFFAOYSA-N,,O=C1OC(=CC1=CC2=CC(I)=C(OCC=C)C(I)=C2)C=3C=CC(OC)=CC3,"InChI=1S/C21H16I2O4/c1-3-8-26-20-17(22)10-13(11-18(20)23)9-15-12-19(27-21(15)24)14-4-6-16(25-2)7-5-14/h3-7,9-12H,1,8H2,2H3",,
1831,"4,5-Dimethylthiazole",3581-91-7,DTXSID40189348,62510,"4,5-Dimethylthiazole",UWSONZCNXUSTKW-UHFFFAOYSA-N,"4,5-Dimethyl-1,3-thiazole",CC1=C(C)N=CS1,"InChI=1S/C5H7NS/c1-4-5(2)7-3-6-4/h3H,1-2H3",C5H7NS,113.0299204
1832,"1,2,3,4,6,7,8-Heptachlorodibenzodioxin",35822-46-9,DTXSID1052034,37270,"1,2,3,4,6,7,8-Heptachlorodibenzodioxin",WCLNVRQZUKYVAI-UHFFFAOYSA-N,"1,2,3,4,6,7,8-Heptachlorooxanthrene",ClC1=C(Cl)C(Cl)=C2OC3=C(OC2=C1)C(Cl)=C(Cl)C(Cl)=C3Cl,InChI=1S/C12HCl7O2/c13-2-1-3-10(7(17)4(2)14)21-12-9(19)6(16)5(15)8(18)11(12)20-3/h1H,C12HCl7O2,421.7796232
1833,"6H-Dibenzo[c,e][1,2]oxaphosphinine 6-oxide",35948-25-5,DTXSID6044563,37314,"6H-Dibenzo[c,e][1,2]oxaphosphinine 6-oxide",VBQRUYIOTHNGOP-UHFFFAOYSA-N,"6H-6lambda~5~-Dibenzo[c,e][1,2]oxaphosphinin-6-one",O=P1OC2=C(C=CC=C2)C2=C1C=CC=C2,"InChI=1S/C12H9O2P/c13-15-12-8-4-2-6-10(12)9-5-1-3-7-11(9)14-15/h1-8,15H",C12H9O2P,216.0340165
1834,Tetrabutyl ethylidenebisphenol,35958-30-6,DTXSID4038899,118899,Tetrabutyl ethylidenebisphenol,DXCHWXWXYPEZKM-UHFFFAOYSA-N,"2,2'-(Ethane-1,1-diyl)bis(4,6-di-tert-butylphenol)",CC(C1=C(O)C(=CC(=C1)C(C)(C)C)C(C)(C)C)C1=C(O)C(=CC(=C1)C(C)(C)C)C(C)(C)C,"InChI=1S/C30H46O2/c1-18(21-14-19(27(2,3)4)16-23(25(21)31)29(8,9)10)22-15-20(28(5,6)7)17-24(26(22)32)30(11,12)13/h14-18,31-32H,1-13H3",C30H46O2,438.3497807
1835,2-tert-Butyl-4-quinone,3602-55-9,DTXSID70189593,19211,2-tert-Butyl-4-quinone,NCCTVAJNFXYWTM-UHFFFAOYSA-N,"2-tert-Butylcyclohexa-2,5-diene-1,4-dione",CC(C)(C)C1=CC(=O)C=CC1=O,"InChI=1S/C10H12O2/c1-10(2,3)8-6-7(11)4-5-9(8)12/h4-6H,1-3H3",C10H12O2,164.0837296
1836,N-Butylbenzenesulfonamide,3622-84-2,DTXSID7027540,19241,N-Butylbenzenesulfonamide,IPRJXAGUEGOFGG-UHFFFAOYSA-N,N-Butylbenzenesulfonamide,CCCCNS(=O)(=O)C1=CC=CC=C1,"InChI=1S/C10H15NO2S/c1-2-3-9-11-14(12,13)10-7-5-4-6-8-10/h4-8,11H,2-3,9H2,1H3",C10H15NO2S,213.0823499
1837,"rel-(1R,2R)-2-Ethylcyclopentanemethanol (ACI)",36258-08-9,,,"rel-(1R,2R)-2-Ethylcyclopentanemethanol (ACI)",RMUDBYVEBKXLKI-HGXVMFPFNA-N,,OCC1CCCC1CC,"InChI=1S/C8H16O/c1-2-7-4-3-5-8(7)6-9/h7-9H,2-6H2,1H3",,
1838,"2,3,4,5-Tetrabromophenol",36313-15-2,DTXSID20545726,13643138,"2,3,4,5-Tetrabromophenol",KXZRECGEDVBJPM-UHFFFAOYSA-N,"2,3,4,5-Tetrabromophenol",OC1=CC(Br)=C(Br)C(Br)=C1Br,"InChI=1S/C6H2Br4O/c7-2-1-3(11)5(9)6(10)4(2)8/h1,11H",C6H2Br4O,405.683917
1839,Hexabromobiphenyl,36355-01-8,DTXSID3025382,,Hexabromobiphenyl,,,,,,
1840,"Ethanone, 1-(3,4-dimethylphenyl)-",3637-01-2,DTXSID0063109,77193,"Ethanone, 1-(3,4-dimethylphenyl)-",WPRAXAOJIODQJR-UHFFFAOYSA-N,"1-(3,4-Dimethylphenyl)ethan-1-one",CC(=O)C1=CC=C(C)C(C)=C1,"InChI=1S/C10H12O/c1-7-4-5-10(9(3)11)6-8(7)2/h4-6H,1-3H3",C10H12O,148.088815
1841,"1,4-Dihydroxy-2,2,6,6-tetramethylpiperidine",3637-10-3,DTXSID40859711,5395,"1,4-Dihydroxy-2,2,6,6-tetramethylpiperidine",CSGAUKGQUCHWDP-UHFFFAOYSA-N,"2,2,6,6-Tetramethylpiperidine-1,4-diol",CC1(C)CC(O)CC(C)(C)N1O,"InChI=1S/C9H19NO2/c1-8(2)5-7(11)6-9(3,4)10(8)12/h7,11-12H,5-6H2,1-4H3",C9H19NO2,173.1415789
1842,"Ethanone, 1-(2,4-difluorophenyl)-",364-83-0,DTXSID3059894,67770,"Ethanone, 1-(2,4-difluorophenyl)-",QEWHNJPLPZOEKU-UHFFFAOYSA-N,"1-(2,4-Difluorophenyl)ethan-1-one",CC(=O)C1=C(F)C=C(F)C=C1,"InChI=1S/C8H6F2O/c1-5(11)7-3-2-6(9)4-8(7)10/h2-4H,1H3",C8H6F2O,156.0386711
1843,5-Ethylcyclopent-1-enecarboxaldehyde,36431-60-4,,580057,5-Ethylcyclopent-1-enecarboxaldehyde,BXRHTYIYAZHIHF-UHFFFAOYSA-N,5-ethylcyclopentene-1-carbaldehyde,O=CC1=CCCC1CC,"InChI=1S/C8H12O/c1-2-7-4-3-5-8(7)6-9/h5-7H,2-4H2,1H3",C8H12O,124.089
1844,2-(2H-Benzotriazol-2-yl)-6-(butan-2-yl)-4-tert-butylphenol,36437-37-3,DTXSID9044661,118327,2-(2H-Benzotriazol-2-yl)-6-(butan-2-yl)-4-tert-butylphenol,RTNVDKBRTXEWQE-UHFFFAOYSA-N,2-(2H-Benzotriazol-2-yl)-6-(butan-2-yl)-4-tert-butylphenol,CCC(C)C1=CC(=CC(N2N=C3C=CC=CC3=N2)=C1O)C(C)(C)C,"InChI=1S/C20H25N3O/c1-6-13(2)15-11-14(20(3,4)5)12-18(19(15)24)23-21-16-9-7-8-10-17(16)22-23/h7-13,24H,6H2,1-5H3",C20H25N3O,323.1997624
1845,Triethylene glycol bis(3-tert-butyl-4-hydroxy-5-methylphenyl)propionate,36443-68-2,DTXSID0044236,91620,Triethylene glycol bis(3-tert-butyl-4-hydroxy-5-methylphenyl)propionate,QSRJVOOOWGXUDY-UHFFFAOYSA-N,"[(Ethane-1,2-diyl)bis(oxy)ethane-2,1-diyl] bis[3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoate]",CC1=CC(CCC(=O)OCCOCCOCCOC(=O)CCC2=CC(C)=C(O)C(=C2)C(C)(C)C)=CC(=C1O)C(C)(C)C,"InChI=1S/C34H50O8/c1-23-19-25(21-27(31(23)37)33(3,4)5)9-11-29(35)41-17-15-39-13-14-40-16-18-42-30(36)12-10-26-20-24(2)32(38)28(22-26)34(6,7)8/h19-22,37-38H,9-18H2,1-8H3",C34H50O8,586.3505686
1846,2-Hydroxyethyl methyl terephthalate,3645-00-9,DTXSID9063112,77207,2-Hydroxyethyl methyl terephthalate,DJQMYWWZWUOCBQ-UHFFFAOYSA-N,"2-Hydroxyethyl methyl benzene-1,4-dicarboxylate",COC(=O)C1=CC=C(C=C1)C(=O)OCCO,"InChI=1S/C11H12O5/c1-15-10(13)8-2-4-9(5-3-8)11(14)16-7-6-12/h2-5,12H,6-7H2,1H3",C11H12O5,224.0684735
1847,alpha-?D-?Galactopyranose,3646-73-9,DTXSID90189974,439357,alpha-​D-​Galactopyranose,WQZGKKKJIJFFOK-PHYPRBDBSA-N,alpha-D-Galactopyranose,OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O,"InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3+,4+,5-,6+/m1/s1",C6H12O6,180.0633881
1848,"(1R,4R,4aS,5R,9R)-1,4,4a,5,6,7-Hexahydro-5,9-diphenyl-1,4-ethanonaphthalene (ACI)",364628-98-8,,163012422,"(1R,4R,4aS,5R,9R)-1,4,4a,5,6,7-Hexahydro-5,9-diphenyl-1,4-ethanonaphthalene (ACI)",MXQDHZOJWFQEHI-AIOUOIRPSA-N,"(1R,6R,7S,8R,11R)-6,11-diphenyltricyclo[6.2.2.02,7]dodeca-2,9-diene",C=1C=CC(=CC1)C2CC3C=CC2C4=CCCC(C=5C=CC=CC5)C43,"InChI=1S/C24H24/c1-3-8-17(9-4-1)20-12-7-13-22-21-15-14-19(24(20)22)16-23(21)18-10-5-2-6-11-18/h1-6,8-11,13-15,19-21,23-24H,7,12,16H2",C24H24,312.188
1849,Diundecyl phthalate,3648-20-2,DTXSID7025215,19283,Diundecyl phthalate,QQVHEQUEHCEAKS-UHFFFAOYSA-N,"Diundecyl benzene-1,2-dicarboxylate",CCCCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCCCCC,"InChI=1S/C30H50O4/c1-3-5-7-9-11-13-15-17-21-25-33-29(31)27-23-19-20-24-28(27)30(32)34-26-22-18-16-14-12-10-8-6-4-2/h19-20,23-24H,3-18,21-22,25-26H2,1-2H3",C30H50O4,474.3709101
1850,Diheptyl phthalate,3648-21-3,DTXSID8040779,19284,Diheptyl phthalate,JQCXWCOOWVGKMT-UHFFFAOYSA-N,"Diheptyl benzene-1,2-dicarboxylate",CCCCCCCOC(=O)C1=C(C=CC=C1)C(=O)OCCCCCCC,"InChI=1S/C22H34O4/c1-3-5-7-9-13-17-25-21(23)19-15-11-12-16-20(19)22(24)26-18-14-10-8-6-4-2/h11-12,15-16H,3-10,13-14,17-18H2,1-2H3",C22H34O4,362.2457096
1851,Hexabromodiphenyl ether,36483-60-0,DTXSID6024129,,Hexabromodiphenyl ether,,,,,,
1852,Monobromodiphenyl ether,36563-47-0,DTXSID301023195,,Bromophenoxybenzene,,,,,,
1853,"(1R,3aS,8aS)-1,2,3,3a,6,8a-Hexahydro-1,4-dimethyl-7-(1-methylethyl)azulene (ACI)",36577-33-0,,14190792,"(1R,3aS,8aS)-1,2,3,3a,6,8a-Hexahydro-1,4-dimethyl-7-(1-methylethyl)azulene (ACI)",RCMUGHFHXFHKNW-BPLDGKMQSA-N,"(1R,3aS,8aS)-1,4-dimethyl-7-propan-2-yl-1,2,3,3a,6,8a-hexahydroazulene",C1=C(C)C2CCC(C)C2C=C(C1)C(C)C,"InChI=1S/C15H24/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5,9-10,12,14-15H,6-8H2,1-4H3",C15H24,204.188
1854,Undecyl dodecanoate,3658-44-4,,608380,Undecyl dodecanoate,JHDNXONYKMEEBK-UHFFFAOYSA-N,undecyl dodecanoate,O=C(OCCCCCCCCCCC)CCCCCCCCCCC,"InChI=1S/C23H46O2/c1-3-5-7-9-11-13-15-17-19-21-23(24)25-22-20-18-16-14-12-10-8-6-4-2/h3-22H2,1-2H3",C23H46O2,354.35
1855,Bis(2-ethylhexyl) phosphonate,3658-48-8,DTXSID2044927,220223,Bis(2-ethylhexyl) phosphonate,HZIUHEQKVCPTAJ-UHFFFAOYSA-N,Bis(2-ethylhexyl) phosphonate,CCCCC(CC)COP(=O)OCC(CC)CCCC,"InChI=1S/C16H35O3P/c1-5-9-11-15(7-3)13-18-20(17)19-14-16(8-4)12-10-6-2/h15-16,20H,5-14H2,1-4H3",C16H35O3P,306.232382
1856,"Trisulfide, dimethyl",3658-80-8,DTXSID9063118,19310,"Trisulfide, dimethyl",YWHLKYXPLRWGSE-UHFFFAOYSA-N,Dimethyltrisulfane,CSSSC,InChI=1S/C2H6S3/c1-3-5-4-2/h1-2H3,C2H6S3,125.9631637
1857,"ethanone, 1-(2,2-dimethylcyclopentyl)-",3664-75-3,DTXSID20880886,537088,"ethanone, 1-(2,2-dimethylcyclopentyl)-",COQNBWSAGJABEB-UHFFFAOYSA-N,"1-(2,2-Dimethylcyclopentyl)ethan-1-one",CC(=O)C1CCCC1(C)C,"InChI=1S/C9H16O/c1-7(10)8-5-4-6-9(8,2)3/h8H,4-6H2,1-3H3",C9H16O,140.1201151
1858,1-Hexadecanol,36653-82-4,DTXSID4027991,2682,1-Hexadecanol,BXWNKGSJHAJOGX-UHFFFAOYSA-N,Hexadecan-1-ol,CCCCCCCCCCCCCCCCO,"InChI=1S/C16H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h17H,2-16H2,1H3",C16H34O,242.2609657
1859,"1,2,3-Tribromo-5-(3,4-dibromophenoxy)benzene",366791-32-4,DTXSID50573491,15509896,"1,2,3-Tribromo-5-(3,4-dibromophenoxy)benzene",SJNIIWPIAVQNRK-UHFFFAOYSA-N,"1,2,3-Tribromo-5-(3,4-dibromophenoxy)benzene",BrC1=CC(OC2=CC(Br)=C(Br)C=C2)=CC(Br)=C1Br,InChI=1S/C12H5Br5O/c13-8-2-1-6(3-9(8)14)18-7-4-10(15)12(17)11(16)5-7/h1-5H,C12H5Br5O,559.62573
1860,"Phenanthrene, 2,3-dimethyl-",3674-65-5,DTXSID00190197,77243,"Phenanthrene, 2,3-dimethyl-",QVRDLHPBZKOROD-UHFFFAOYSA-N,"2,3-Dimethylphenanthrene",CC1=CC2=C(C=C1C)C1=CC=CC=C1C=C2,"InChI=1S/C16H14/c1-11-9-14-8-7-13-5-3-4-6-15(13)16(14)10-12(11)2/h3-10H,1-2H3",C16H14,206.1095505
1861,"Phenanthrene, 2,5-dimethyl-",3674-66-6,DTXSID60190198,77244,"2,5-Dimethylphenanthrene",ANBPQRLLOPVKIG-UHFFFAOYSA-N,"2,5-Dimethylphenanthrene",CC1=CC2=C(C=C1)C1=C(C)C=CC=C1C=C2,"InChI=1S/C16H14/c1-11-6-9-15-14(10-11)8-7-13-5-3-4-12(2)16(13)15/h3-10H,1-2H3",C16H14,206.1095505
1862,"Phenanthrene, 4,5-dimethyl- (8CI)(9CI)",3674-69-9,DTXSID20190199,77245,"Phenanthrene, 4,5-dimethyl- (8CI)(9CI)",GWWHAAHVHHLOQW-UHFFFAOYSA-N,"4,5-Dimethylphenanthrene",CC1=C2C(C=CC3=CC=CC(C)=C23)=CC=C1,"InChI=1S/C16H14/c1-11-5-3-7-13-9-10-14-8-4-6-12(2)16(14)15(11)13/h3-10H,1-2H3",C16H14,206.1095505
1863,"2,3,5-Trimethylphenanthrene",3674-73-5,DTXSID70190200,19350,"2,3,5-Trimethylphenanthrene",PIRFDOCDTWKNTM-UHFFFAOYSA-N,"2,3,5-Trimethylphenanthrene",CC1=CC2=C(C=C1C)C1=C(C)C=CC=C1C=C2,"InChI=1S/C17H16/c1-11-5-4-6-14-7-8-15-9-12(2)13(3)10-16(15)17(11)14/h4-10H,1-3H3",C17H16,220.1252005
1864,"anthracene, 9-ethyl-9,10-dihydro-10-methyl-",36778-20-8,DTXSID40880803,606358,"anthracene, 9-ethyl-9,10-dihydro-10-methyl-",BLUDKRGRBCWCHN-UHFFFAOYSA-N,"9-Ethyl-10-methyl-9,10-dihydroanthracene",CCC1C2=CC=CC=C2C(C)C2=CC=CC=C12,"InChI=1S/C17H18/c1-3-13-16-10-6-4-8-14(16)12(2)15-9-5-7-11-17(13)15/h4-13H,3H2,1-2H3",C17H18,222.1408506
1865,(3Z)-3-Hexenyl acetate,3681-71-8,DTXSID0041484,5363388,(3Z)-3-Hexenyl acetate,NPFVOOAXDOBMCE-PLNGDYQASA-N,(3Z)-Hex-3-en-1-yl acetate,CC\C=C/CCOC(C)=O,"InChI=1S/C8H14O2/c1-3-4-5-6-7-10-8(2)9/h4-5H,3,6-7H2,1-2H3/b5-4-",C8H14O2,142.0993797
1866,"?-[(Didodecylamino)methyl]-1,4,7,10-tetraazacyclododecane-1-ethanol (ACI)",368423-88-5,,11828012,"?-[(Didodecylamino)methyl]-1,4,7,10-tetraazacyclododecane-1-ethanol (ACI)",XUCDKITVLHBGFC-UHFFFAOYSA-N,"1-(didodecylamino)-3-(1,4,7,10-tetrazacyclododec-1-yl)propan-2-ol",OC(CN1CCNCCNCCNCC1)CN(CCCCCCCCCCCC)CCCCCCCCCCCC,"InChI=1S/C35H75N5O/c1-3-5-7-9-11-13-15-17-19-21-29-39(30-22-20-18-16-14-12-10-8-6-4-2)33-35(41)34-40-31-27-37-25-23-36-24-26-38-28-32-40/h35-38,41H,3-34H2,1-2H3",C35H75N5O,581.597
1867,"Geldanamycin, 17-[(3-amino-2-hydroxypropyl)amino]-17-demethoxy- (9CI)",368455-10-1,,44306201,"Geldanamycin, 17-[(3-amino-2-hydroxypropyl)amino]-17-demethoxy- (9CI)",WVQGADVJMWSIEK-AXONLCQGSA-N,"[(4E,6Z,8S,9S,10E,12S,13R,14S,16R)-19-[(3-amino-2-hydroxypropyl)amino]-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl] carbamate",O=C(OC1C(=CC(C)C(O)C(OC)CC(C)CC=2C(=O)C(=CC(=O)C2NCC(O)CN)NC(=O)C(=CC=CC1OC)C)C)N,"InChI=1S/C31H46N4O9/c1-16-10-21-26(34-15-20(36)14-32)23(37)13-22(28(21)39)35-30(40)17(2)8-7-9-24(42-5)29(44-31(33)41)19(4)12-18(3)27(38)25(11-16)43-6/h7-9,12-13,16,18,20,24-25,27,29,34,36,38H,10-11,14-15,32H2,1-6H3,(H2,33,41)(H,35,40)",C31H46N4O9,618.326
1868,Enzacamene,36861-47-9,DTXSID8047896,37563,Enzacamene,HEOCBCNFKCOKBX-UHFFFAOYSA-N,"1,7,7-Trimethyl-3-[(4-methylphenyl)methylidene]bicyclo[2.2.1]heptan-2-one",CC1=CC=C(C=C2C3CCC(C)(C2=O)C3(C)C)C=C1,"InChI=1S/C18H22O/c1-12-5-7-13(8-6-12)11-14-15-9-10-18(4,16(14)19)17(15,2)3/h5-8,11,15H,9-10H2,1-4H3",C18H22O,254.1670653
1869,5-Methylchrysene,3697-24-3,DTXSID6063143,19427,5-Methylchrysene,GOHBXWHNJHENRX-UHFFFAOYSA-N,5-Methylchrysene,CC1=CC2=CC=CC=C2C2=C1C1=CC=CC=C1C=C2,"InChI=1S/C19H14/c1-13-12-15-7-3-4-8-16(15)18-11-10-14-6-2-5-9-17(14)19(13)18/h2-12H,1H3",C19H14,242.1095505
1870,Propyl 2-methylbutanoate,37064-20-3,DTXSID90865847,162239,Propyl 2-methylbutanoate,TZFQMSDUSOTCJC-UHFFFAOYSA-N,Propyl 2-methylbutanoate,CCCOC(=O)C(C)CC,"InChI=1S/C8H16O2/c1-4-6-10-8(9)7(3)5-2/h7H,4-6H2,1-3H3",C8H16O2,144.1150298
1871,Hexanoyl fluoride,372-80-5,DTXSID0059908,67796,Hexanoyl fluoride,AURYBMCZYGIOJH-UHFFFAOYSA-N,Hexanoyl fluoride,CCCCCC(F)=O,"InChI=1S/C6H11FO/c1-2-3-4-5-6(7)8/h2-5H2,1H3",C6H11FO,118.0793931
1872,1-Ethyl-2-methylcyclopentane,3726-46-3,DTXSID20870803,136729,1-Ethyl-2-methylcyclopentane,BSKOLJVTLRLTHE-UHFFFAOYSA-N,1-Ethyl-2-methylcyclopentane,CCC1CCCC1C,"InChI=1S/C8H16/c1-3-8-6-4-5-7(8)2/h7-8H,3-6H2,1-2H3",C8H16,112.1252005
1873,(Z)-Hexadec-9-enoic acid,373-49-9,DTXSID0041197,445638,(Z)-Hexadec-9-enoic acid,SECPZKHBENQXJG-FPLPWBNLSA-N,(9Z)-Hexadec-9-enoic acid,CCCCCC\C=C/CCCCCCCC(O)=O,"InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h7-8H,2-6,9-15H2,1H3,(H,17,18)/b8-7-",C16H30O2,254.2245802
1874,Filixic acid ABB,37318-24-4,,,Filixic acid ABB,VBPFXBYVPNBBGM-UHFFFAOYSA-N,,O=C1C(C(=O)C)=C(O)C(C(O)=C1CC2=C(O)C(C(=O)CCC)=C(O)C(=C2O)CC=3C(=O)C(C(=O)CCC)=C(O)C(C3O)(C)C)(C)C,"InChI=1S/C34H40O12/c1-8-10-19(36)22-25(39)15(12-17-27(41)21(14(3)35)31(45)33(4,5)29(17)43)24(38)16(26(22)40)13-18-28(42)23(20(37)11-9-2)32(46)34(6,7)30(18)44/h38-40,43-46H,8-13H2,1-7H3",,
1875,BDE-105,373594-78-6,DTXSID20879917,85794401,BDE-105,LBPWAGZGYNOKAM-UHFFFAOYSA-N,"1,2,3-Tribromo-4-(3,4-dibromophenoxy)benzene",BrC1=CC=C(OC2=CC(Br)=C(Br)C=C2)C(Br)=C1Br,InChI=1S/C12H5Br5O/c13-7-2-1-6(5-9(7)15)18-10-4-3-8(14)11(16)12(10)17/h1-5H,C12H5Br5O,559.62573
1876,"Benzene, 1,1'-(1-methylethylidene)bis[4-(2-propen-1-yloxy)-",3739-67-1,DTXSID30863266,77333,"Benzene, 1,1'-(1-methylethylidene)bis[4-(2-propen-1-yloxy)-",SCZZNWQQCGSWSZ-UHFFFAOYSA-N,"1,1'-(Propane-2,2-diyl)bis{4-[(prop-2-en-1-yl)oxy]benzene}",CC(C)(C1=CC=C(OCC=C)C=C1)C1=CC=C(OCC=C)C=C1,"InChI=1S/C21H24O2/c1-5-15-22-19-11-7-17(8-12-19)21(3,4)18-9-13-20(14-10-18)23-16-6-2/h5-14H,1-2,15-16H2,3-4H3",C21H24O2,308.17763
1877,"Cyclopentane, pentyl-",3741-00-2,DTXSID6074708,19540,"Cyclopentane, pentyl-",HPQURZRDYMUHJI-UHFFFAOYSA-N,Pentylcyclopentane,CCCCCC1CCCC1,"InChI=1S/C10H20/c1-2-3-4-7-10-8-5-6-9-10/h10H,2-9H2,1H3",C10H20,140.1565006
1878,m-Bis(1-methylvinyl)benzene,3748-13-8,DTXSID7027546,77353,m-Bis(1-methylvinyl)benzene,IBVPVTPPYGGAEL-UHFFFAOYSA-N,"1,3-Di(prop-1-en-2-yl)benzene",CC(=C)C1=CC(=CC=C1)C(C)=C,"InChI=1S/C12H14/c1-9(2)11-6-5-7-12(8-11)10(3)4/h5-8H,1,3H2,2,4H3",C12H14,158.1095505
1879,Prolinal,3760-54-1,DTXSID40191042,77372,Prolinal,AGRIQBHIKABLPJ-UHFFFAOYSA-N,Pyrrolidine-1-carbaldehyde,O=CN1CCCC1,"InChI=1S/C5H9NO/c7-5-6-3-1-2-4-6/h5H,1-4H2",C5H9NO,99.06841391
1880,"2,2',5-Trichlorobiphenyl",37680-65-2,DTXSID6073491,37803,"2,2',5-Trichlorobiphenyl",DCMURXAZTZQAFB-UHFFFAOYSA-N,"2,2',5-Trichloro-1,1'-biphenyl",ClC1=CC(=C(Cl)C=C1)C1=C(Cl)C=CC=C1,InChI=1S/C12H7Cl3/c13-8-5-6-12(15)10(7-8)9-3-1-2-4-11(9)14/h1-7H,C12H7Cl3,255.9613333
1881,"2,2',4,5,5'-Pentachlorobiphenyl",37680-73-2,DTXSID8038304,37807,"2,2',4,5,5'-Pentachlorobiphenyl",LAHWLEDBADHJGA-UHFFFAOYSA-N,"2,2',4,5,5'-Pentachloro-1,1'-biphenyl",ClC1=CC(=C(Cl)C=C1)C1=C(Cl)C=C(Cl)C(Cl)=C1,InChI=1S/C12H5Cl5/c13-6-1-2-9(14)7(3-6)8-4-11(16)12(17)5-10(8)15/h1-5H,C12H5Cl5,323.8833887
1882,Isooctyl vinyl ether,37769-62-3,DTXSID70191212,142200,Isooctyl vinyl ether,RSZNIQXJTHPTBO-UHFFFAOYSA-N,"1-(Ethenyloxy)-2,2,4-trimethylpentane",CC(C)CC(C)(C)COC=C,"InChI=1S/C10H20O/c1-6-11-8-10(4,5)7-9(2)3/h6,9H,1,7-8H2,2-5H3",C10H20O,156.1514153
1883,2-Pentylfuran,3777-69-3,DTXSID9047679,19602,2-Pentylfuran,YVBAUDVGOFCUSG-UHFFFAOYSA-N,2-Pentylfuran,CCCCCC1=CC=CO1,"InChI=1S/C9H14O/c1-2-3-4-6-9-7-5-8-10-9/h5,7-8H,2-4,6H2,1H3",C9H14O,138.1044651
1884,2-Hexylfuran,3777-70-6,DTXSID10191216,77408,2-Hexylfuran,XBLCAKKYMZVLPU-UHFFFAOYSA-N,2-Hexylfuran,CCCCCCC1=CC=CO1,"InChI=1S/C10H16O/c1-2-3-4-5-7-10-8-6-9-11-10/h6,8-9H,2-5,7H2,1H3",C10H16O,152.1201151
1885,Ocimene (E),3779-61-1,DTXSID8040567,5281553,Ocimene (E),IHPKGUQCSIINRJ-CSKARUKUSA-N,"(3E)-3,7-Dimethylocta-1,3,6-triene",CC(C)=CC\C=C(/C)C=C,"InChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,7-8H,1,6H2,2-4H3/b10-8+",C10H16,136.1252005
1886,"1,2-Bis(2,4,6-tribromophenoxy)ethane",37853-59-1,DTXSID1024627,37840,"1,2-Bis(2,4,6-tribromophenoxy)ethane",YATIGPZCMOYEGE-UHFFFAOYSA-N,"1,1'-[Ethane-1,2-diylbis(oxy)]bis(2,4,6-tribromobenzene)",BrC1=CC(Br)=C(OCCOC2=C(Br)C=C(Br)C=C2Br)C(Br)=C1,"InChI=1S/C14H8Br6O2/c15-7-3-9(17)13(10(18)4-7)21-1-2-22-14-11(19)5-8(16)6-12(14)20/h3-6H,1-2H2",C14H8Br6O2,681.562457
1887,"(E)-6,10-Dimethylundeca-5,9-dien-2-one",3796-70-1,DTXSID4052053,1549778,"(E)-6,10-Dimethylundeca-5,9-dien-2-one",HNZUNIKWNYHEJJ-FMIVXFBMSA-N,"(5E)-6,10-Dimethylundeca-5,9-dien-2-one",CC(C)=CCC\C(C)=C\CCC(C)=O,"InChI=1S/C13H22O/c1-11(2)7-5-8-12(3)9-6-10-13(4)14/h7,9H,5-6,8,10H2,1-4H3/b12-9+",C13H22O,194.1670653
1888,"Phosphoric acid, 2,2-bis(chloromethyl)-1,3-propanediyl tetrakis(2-chloroethyl) ester",38051-10-4,DTXSID8028000,92310,Phosgard 2XC20,ZGHUDSLVQAGWEY-UHFFFAOYSA-N,"2,2-Bis(chloromethyl)propane-1,3-diyl tetrakis(2-chloroethyl) bis(phosphate)",ClCCOP(=O)(OCCCl)OCC(CCl)(CCl)COP(=O)(OCCCl)OCCCl,"InChI=1S/C13H24Cl6O8P2/c14-1-5-22-28(20,23-6-2-15)26-11-13(9-18,10-19)12-27-29(21,24-7-3-16)25-8-4-17/h1-12H2",C13H24Cl6O8P2,579.9077579
1889,Climbazole,38083-17-9,DTXSID6046555,37907,Climbazole,OWEGWHBOCFMBLP-UHFFFAOYSA-N,"1-(4-Chlorophenoxy)-1-(1H-imidazol-1-yl)-3,3-dimethylbutan-2-one",CC(C)(C)C(=O)C(OC1=CC=C(Cl)C=C1)N1C=CN=C1,"InChI=1S/C15H17ClN2O2/c1-15(2,3)13(19)14(18-9-8-17-10-18)20-12-6-4-11(16)5-7-12/h4-10,14H,1-3H3",C15H17ClN2O2,292.0978555
1890,"Methyl 4-amino-3,4,6-trideoxy-3-fluoro-?-D-mannopyranoside (ACI)",381168-26-9,,101128017,"Methyl 4-amino-3,4,6-trideoxy-3-fluoro-?-D-mannopyranoside (ACI)",RNAUPNXDZJYGKC-UOYQFSTFSA-N,"(2S,3R,4S,5R,6R)-5-amino-4-fluoro-2-methoxy-6-methyloxan-3-ol",FC1C(O)C(OC)OC(C)C1N,"InChI=1S/C7H14FNO3/c1-3-5(9)4(8)6(10)7(11-2)12-3/h3-7,10H,9H2,1-2H3",C7H14FNO3,179.096
1891,Adrenosterone,382-45-6,DTXSID801019311,223997,Adrenosterone,RZRPTBIGEANTGU-IRIMSJTPSA-N,"Androst-4-ene-3,11,17-trione",[H][C@@]12CCC(=O)[C@@]1(C)CC(=O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C,"InChI=1S/C19H24O3/c1-18-8-7-12(20)9-11(18)3-4-13-14-5-6-16(22)19(14,2)10-15(21)17(13)18/h9,13-14,17H,3-8,10H2,1-2H3/t13-,14-,17+,18-,19-/m0/s1",C19H24O3,300.1725446
1892,"2,3,3',4',6-Pentachlorobiphenyl",38380-03-9,DTXSID3038307,38015,"2,3,3',4',6-Pentachlorobiphenyl",ARXHIJMGSIYYRZ-UHFFFAOYSA-N,"2,3,3',4',6-Pentachloro-1,1'-biphenyl",ClC1=CC=C(Cl)C(=C1Cl)C1=CC(Cl)=C(Cl)C=C1,InChI=1S/C12H5Cl5/c13-7-2-1-6(5-10(7)16)11-8(14)3-4-9(15)12(11)17/h1-5H,C12H5Cl5,323.8833887
1893,"2,2',3,4',5',6-Hexachlorobiphenyl",38380-04-0,DTXSID1073498,38016,"2,2',3,4',5',6-Hexachlorobiphenyl",LKHLFUVHHXCNJH-UHFFFAOYSA-N,"2,2',3,4',5',6-Hexachloro-1,1'-biphenyl",ClC1=CC(Cl)=C(C=C1Cl)C1=C(Cl)C(Cl)=CC=C1Cl,InChI=1S/C12H4Cl6/c13-6-1-2-7(14)12(18)11(6)5-3-9(16)10(17)4-8(5)15/h1-4H,C12H4Cl6,357.8444163
1894,"2,2',3,3',4,4'-Hexachlorobiphenyl",38380-07-3,DTXSID50858932,38018,"2,2',3,3',4,4'-Hexachlorobiphenyl",BTAGRXWGMYTPBY-UHFFFAOYSA-N,"2,2',3,3',4,4'-Hexachloro-1,1'-biphenyl",ClC1=C(Cl)C(Cl)=C(C=C1)C1=C(Cl)C(Cl)=C(Cl)C=C1,InChI=1S/C12H4Cl6/c13-7-3-1-5(9(15)11(7)17)6-2-4-8(14)12(18)10(6)16/h1-4H,C12H4Cl6,357.8444163
1895,"2,3,3',4,4',5-Hexachlorobiphenyl",38380-08-4,DTXSID0052706,38019,"2,3,3',4,4',5-Hexachlorobiphenyl",LCXMEXLGMKFLQO-UHFFFAOYSA-N,"2,3,3',4,4',5-Hexachloro-1,1'-biphenyl",ClC1=CC(=C(Cl)C(Cl)=C1Cl)C1=CC(Cl)=C(Cl)C=C1,InChI=1S/C12H4Cl6/c13-7-2-1-5(3-8(7)14)6-4-9(15)11(17)12(18)10(6)16/h1-4H,C12H4Cl6,357.8444163
1896,Chalcogran,38401-84-2,DTXSID20342393,581383,Chalcogran,DCWKALWZHORJAO-UHFFFAOYSA-N,"2-Ethyl-1,6-dioxaspiro[4.4]nonane",CCC1CCC2(CCCO2)O1,"InChI=1S/C9H16O2/c1-2-8-4-6-9(11-8)5-3-7-10-9/h8H,2-7H2,1H3",C9H16O2,156.1150298
1897,"2,3',5-trichlorobiphenyl",38444-81-4,DTXSID4074778,38033,"2,3',5-trichlorobiphenyl",ONNCPBRWFSKDMQ-UHFFFAOYSA-N,"2,3',5-Trichloro-1,1'-biphenyl",ClC1=CC(=C(Cl)C=C1)C1=CC(Cl)=CC=C1,InChI=1S/C12H7Cl3/c13-9-3-1-2-8(6-9)11-7-10(14)4-5-12(11)15/h1-7H,C12H7Cl3,255.9613333
1898,"2-(2'-Hydroxy-3',5'-di-tert-butylphenyl)benzotriazole",3846-71-7,DTXSID4052059,77455,"2-(2'-Hydroxy-3',5'-di-tert-butylphenyl)benzotriazole",LHPPDQUVECZQSW-UHFFFAOYSA-N,"2-(2H-Benzotriazol-2-yl)-4,6-di-tert-butylphenol",CC(C)(C)C1=CC(N2N=C3C=CC=CC3=N2)=C(O)C(=C1)C(C)(C)C,"InChI=1S/C20H25N3O/c1-19(2,3)13-11-14(20(4,5)6)18(24)17(12-13)23-21-15-9-7-8-10-16(15)22-23/h7-12,24H,1-6H3",C20H25N3O,323.1997624
1900,"8-Isopropyl-1,3-dimethyltricyclo(4.4.0.02,7)dec-3-ene",3856-25-5,DTXSID30873067,70678558,Copaene,VLXDPFLIRFYIME-XIQJJJERSA-N,"(1S,6S,7S,8S)-1,3-Dimethyl-8-(propan-2-yl)tricyclo[4.4.0.0~2,7~]dec-3-ene",[H][C@@]12C3C(C)=CC[C@]1([H])[C@]3(C)CC[C@H]2C(C)C,"InChI=1S/C15H24/c1-9(2)11-7-8-15(4)12-6-5-10(3)14(15)13(11)12/h5,9,11-14H,6-8H2,1-4H3/t11-,12-,13-,14?,15-/m0/s1",C15H24,204.1878008
1901,"Phenol, 2-(5-chloro-2H-benzotriazol-2-yl)-4,6-bis(1,1-dimethylethyl)-",3864-99-1,DTXSID4038893,77470,"Phenol, 2-(5-chloro-2H-benzotriazol-2-yl)-4,6-bis(1,1-dimethylethyl)-",UWSMKYBKUPAEJQ-UHFFFAOYSA-N,"2,4-Di-tert-butyl-6-(5-chloro-2H-benzotriazol-2-yl)phenol",CC(C)(C)C1=CC(N2N=C3C=CC(Cl)=CC3=N2)=C(O)C(=C1)C(C)(C)C,"InChI=1S/C20H24ClN3O/c1-19(2,3)12-9-14(20(4,5)6)18(25)17(10-12)24-22-15-8-7-13(21)11-16(15)23-24/h7-11,25H,1-6H3",C20H24ClN3O,357.1607901
1902,Diisopropylnaphthalene,38640-62-9,DTXSID9041869,,Diisopropylnaphthalene,,,,,,
1903,"1,3-Bis(isocyanatomethyl)cyclohexane",38661-72-2,DTXSID6044933,53172,"1,3-Bis(isocyanatomethyl)cyclohexane",XSCLFFBWRKTMTE-UHFFFAOYSA-N,"1,3-Bis(isocyanatomethyl)cyclohexane",O=C=NCC1CCCC(CN=C=O)C1,"InChI=1S/C10H14N2O2/c13-7-11-5-9-2-1-3-10(4-9)6-12-8-14/h9-10H,1-6H2",C10H14N2O2,194.1055277
1904,"3,3,5,5-Tetramethylcyclopentene",38667-10-6,DTXSID00334493,520917,"3,3,5,5-Tetramethylcyclopentene",FCJMCOVEXBZEMH-UHFFFAOYSA-N,"3,3,5,5-Tetramethylcyclopent-1-ene",CC1(C)CC(C)(C)C=C1,"InChI=1S/C9H16/c1-8(2)5-6-9(3,4)7-8/h5-6H,7H2,1-4H3",C9H16,124.1252005
1905,"p-Mentha-2,8-dien-1-ol, (Z)-",3886-78-0,DTXSID80192114,5319363,"p-Mentha-2,8-dien-1-ol, (Z)-",MKPMHJQMNACGDI-ZJUUUORDSA-N,"(1R,4S)-1-Methyl-4-(prop-1-en-2-yl)cyclohex-2-en-1-ol",CC(=C)[C@H]1CC[C@@](C)(O)C=C1,"InChI=1S/C10H16O/c1-8(2)9-4-6-10(3,11)7-5-9/h4,6,9,11H,1,5,7H2,2-3H3/t9-,10+/m1/s1",C10H16O,152.1201151
1906,"2,6,10-Trimethyldodecane",3891-98-3,DTXSID1058634,19773,"2,6,10-Trimethyldodecane",YFHFHLSMISYUAQ-UHFFFAOYSA-N,"2,6,10-Trimethyldodecane",CCC(C)CCCC(C)CCCC(C)C,"InChI=1S/C15H32/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h13-15H,6-12H2,1-5H3",C15H32,212.250401
1907,"(9Z)-9-Octadecen-1-yl 2,2,2-trifluoroacetate (ACI)",389124-98-5,,88368751,"(9Z)-9-Octadecen-1-yl 2,2,2-trifluoroacetate (ACI)",FLDNEOWDJOPXSX-KTKRTIGZSA-N,"[(Z)-octadec-9-enyl] 2,2,2-trifluoroacetate",O=C(OCCCCCCCCC=CCCCCCCCC)C(F)(F)F,"InChI=1S/C20H35F3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25-19(24)20(21,22)23/h9-10H,2-8,11-18H2,1H3",C20H35F3O2,364.259
1908,Methyl 5-ethenylpyridine-3-carboxylate,38940-67-9,DTXSID701337873,595990,Methyl 5-ethenylpyridine-3-carboxylate,UAVVZJIMFHIEJV-UHFFFAOYSA-N,,COC(=O)C1=CC(C=C)=CN=C1,"InChI=1S/C9H9NO2/c1-3-7-4-8(6-10-5-7)9(11)12-2/h3-6H,1H2,2H3",C9H9NO2,163.0633285
1909,Bumetrizole,3896-11-5,DTXSID9036438,62531,Bumetrizole,OCWYEMOEOGEQAN-UHFFFAOYSA-N,2-tert-Butyl-6-(5-chloro-2H-benzotriazol-2-yl)-4-methylphenol,CC1=CC(=C(O)C(=C1)N1N=C2C=CC(Cl)=CC2=N1)C(C)(C)C,"InChI=1S/C17H18ClN3O/c1-10-7-12(17(2,3)4)16(22)15(8-10)21-19-13-6-5-11(18)9-14(13)20-21/h5-9,22H,1-4H3",C17H18ClN3O,315.1138399
1910,Octachlorodibenzofuran,39001-02-0,DTXSID3052062,38200,Octachlorodibenzofuran,RHIROFAGUQOFLU-UHFFFAOYSA-N,"1,2,3,4,6,7,8,9-Octachlorodibenzo[b,d]furan",ClC1=C2OC3=C(C2=C(Cl)C(Cl)=C1Cl)C(Cl)=C(Cl)C(Cl)=C3Cl,InChI=1S/C12Cl8O/c13-3-1-2-4(14)6(16)8(18)10(20)12(2)21-11(1)9(19)7(17)5(3)15,C12Cl8O,439.7457362
1911,"1,1,-Trimethyl-3-phenylindane",3910-35-8,DTXSID20863290,19793,"1,1,-Trimethyl-3-phenylindane",ICLPNZMYHDVKKI-UHFFFAOYSA-N,"1,1,3-Trimethyl-3-phenyl-2,3-dihydro-1H-indene",CC1(C)CC(C)(C2=C1C=CC=C2)C1=CC=CC=C1,"InChI=1S/C18H20/c1-17(2)13-18(3,14-9-5-4-6-10-14)16-12-8-7-11-15(16)17/h4-12H,13H2,1-3H3",C18H20,236.1565006
1912,2-Butyloctan-1-ol,3913-02-8,DTXSID0044818,19800,2-Butyloctan-1-ol,XMVBHZBLHNOQON-UHFFFAOYSA-N,2-Butyloctan-1-ol,CCCCCCC(CO)CCCC,"InChI=1S/C12H26O/c1-3-5-7-8-10-12(11-13)9-6-4-2/h12-13H,3-11H2,1-2H3",C12H26O,186.1983655
1913,"2-Decenal (6CI, 7CI, 8CI, 9CI, ACI)",3913-71-1,DTXSID8052065,19801,2-Decenal,MMFCJPPRCYDLLZ-UHFFFAOYSA-N,Dec-2-enal,CCCCCCCC=CC=O,"InChI=1S/C10H18O/c1-2-3-4-5-6-7-8-9-10-11/h8-10H,2-7H2,1H3",C10H18O,154.1357652
1914,3-butylcyclohexanone,39178-69-3,DTXSID60340631,566193,3-butylcyclohexanone,ORIINXCHZXECLA-UHFFFAOYSA-N,3-Butylcyclohexan-1-one,CCCCC1CCCC(=O)C1,"InChI=1S/C10H18O/c1-2-3-5-9-6-4-7-10(11)8-9/h9H,2-8H2,1H3",C10H18O,154.1357652
1915,"1,2,3,4,7,8-Hexachlorodibenzodioxin",39227-28-6,DTXSID8052067,38251,"1,2,3,4,7,8-Hexachlorodibenzodioxin",WCYYQNSQJHPVMG-UHFFFAOYSA-N,"1,2,3,4,7,8-Hexachlorooxanthrene",ClC1=C(Cl)C=C2OC3=C(OC2=C1)C(Cl)=C(Cl)C(Cl)=C3Cl,InChI=1S/C12H2Cl6O2/c13-3-1-5-6(2-4(3)14)20-12-10(18)8(16)7(15)9(17)11(12)19-5/h1-2H,C12H2Cl6O2,387.8185955
1916,"Carbamic acid, (2-hydroxyethyl)tetradecyl-, ethyl ester (9CI)",392325-88-1,,3548076,"Carbamic acid, (2-hydroxyethyl)tetradecyl-, ethyl ester (9CI)",TVUHJUIZGKVUOW-UHFFFAOYSA-N,ethyl N-(2-hydroxyethyl)-N-tetradecylcarbamate,O=C(OCC)N(CCO)CCCCCCCCCCCCCC,"InChI=1S/C19H39NO3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-20(17-18-21)19(22)23-4-2/h21H,3-18H2,1-2H3",C19H39NO3,329.293
1917,"Benzamide, 2-iodo-N-(7-methylbenzo[1,2-d:3,4-d?]bisthiazol-2-yl)- (9CI)",394228-05-8,,4441977,"Benzamide, 2-iodo-N-(7-methylbenzo[1,2-d:3,4-d?]bisthiazol-2-yl)- (9CI)",MPCFWEONUVXKGI-UHFFFAOYSA-N,"2-iodo-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)benzamide",O=C(NC1=NC=2C=CC=3SC(=NC3C2S1)C)C=4C=CC=CC4I,"InChI=1S/C16H10IN3OS2/c1-8-18-13-12(22-8)7-6-11-14(13)23-16(19-11)20-15(21)9-4-2-3-5-10(9)17/h2-7H,1H3,(H,19,20,21)",C16H10IN3OS2,450.931
1918,"1,8-Dimethyl-4-(1-methylethyl)spiro[4.5]decan-7-one (ACI)",39510-26-4,,535237,"1,8-Dimethyl-4-(1-methylethyl)spiro[4.5]decan-7-one (ACI)",HGEHVVBKUMPQRX-UHFFFAOYSA-N,"1,8-dimethyl-4-propan-2-ylspiro[4.5]decan-9-one",O=C1CC2(CCC1C)C(C)CCC2C(C)C,"InChI=1S/C15H26O/c1-10(2)13-6-5-12(4)15(13)8-7-11(3)14(16)9-15/h10-13H,5-9H2,1-4H3",C15H26O,222.198
1919,"3,6,9,12,15,18,21-Heptaoxaoctacosan-1-ol (9CI, ACI)",39619-72-2,,85738647,"3,6,9,12,15,18,21-Heptaoxaoctacosan-1-ol (9CI, ACI)",ZWDHNAWRRKPWAE-UHFFFAOYSA-N,2-[2-[2-[2-[2-[2-(2-heptoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol,OCCOCCOCCOCCOCCOCCOCCOCCCCCCC,"InChI=1S/C21H44O8/c1-2-3-4-5-6-8-23-10-12-25-14-16-27-18-20-29-21-19-28-17-15-26-13-11-24-9-7-22/h22H,2-21H2,1H3",C21H44O8,424.304
1920,"Cyclohexene, 1-hexyl-",3964-66-7,DTXSID10192748,138084,"Cyclohexene, 1-hexyl-",NEFDOOJYBCQHHV-UHFFFAOYSA-N,1-Hexylcyclohex-1-ene,CCCCCCC1=CCCCC1,"InChI=1S/C12H22/c1-2-3-4-6-9-12-10-7-5-8-11-12/h10H,2-9,11H2,1H3",C12H22,166.1721507
1921,N-methyl-N'-cyclohexylurea,39804-96-1,DTXSID60308812,308344,N-methyl-N'-cyclohexylurea,YKLDLMXTBHWMPV-UHFFFAOYSA-N,N-Cyclohexyl-N'-methylurea,CNC(=O)NC1CCCCC1,"InChI=1S/C8H16N2O/c1-9-8(11)10-7-5-3-2-4-6-7/h7H,2-6H2,1H3,(H2,9,10,11)",C8H16N2O,156.1262631
1922,Linoleamide,3999-01-7,DTXSID4042098,6435901,Linoleamide,SFIHQZFZMWZOJV-HZJYTTRNSA-N,"(9Z,12Z)-Octadeca-9,12-dienamide",CCCCC\C=C/C\C=C/CCCCCCCC(N)=O,"InChI=1S/C18H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H2,19,20)/b7-6-,10-9-",C18H33NO,279.2562147
1923,"11,13-Dimethyl-12-tetradecen-1-yl acetate",400037-00-5,DTXSID50873261,549821,"11,13-Dimethyl-12-tetradecen-1-yl acetate",MNUWBCKALSZWEW-UHFFFAOYSA-N,"11,13-Dimethyltetradec-12-en-1-yl acetate",CC(CCCCCCCCCCOC(C)=O)C=C(C)C,"InChI=1S/C18H34O2/c1-16(2)15-17(3)13-11-9-7-5-6-8-10-12-14-20-18(4)19/h15,17H,5-14H2,1-4H3",C18H34O2,282.2558803
1924,Tetrabromobiphenyl,40088-45-7,DTXSID301334110,,Tetrabromobiphenyl,,,,,,
1925,Tetrabromodiphenyl ether,40088-47-9,DTXSID8024319,,Tetrabromodiphenyl ether,,,,,,
1926,"2,2',3,3',4,4',5,5',6-Nonachlorobiphenyl",40186-72-9,DTXSID50865989,38411,"2,2',3,3',4,4',5,5',6-Nonachlorobiphenyl",JFIMDKGRGPNPRQ-UHFFFAOYSA-N,"2,2',3,3',4,4',5,5',6-Nonachloro-1,1'-biphenyl",ClC1=CC(=C(Cl)C(Cl)=C1Cl)C1=C(Cl)C(Cl)=C(Cl)C(Cl)=C1Cl,InChI=1S/C12HCl9/c13-3-1-2(5(14)9(18)6(3)15)4-7(16)10(19)12(21)11(20)8(4)17/h1H,C12HCl9,459.7274993
1927,11-Nitro-1-Undecene,40244-98-2,DTXSID10337652,543829,11-Nitro-1-Undecene,QSFROPSPQWQTKU-UHFFFAOYSA-N,11-Nitroundec-1-ene,[O-][N+](=O)CCCCCCCCCC=C,"InChI=1S/C11H21NO2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2H,1,3-11H2",C11H21NO2,199.1572289
1928,"(+/-)-1,2-Dipalmitin",40290-32-2,DTXSID50892078,99931,"(+/-)-1,2-Dipalmitin",JEJLGIQLPYYGEE-UHFFFAOYSA-N,"3-Hydroxypropane-1,2-diyl dihexadecanoate",CCCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C35H68O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(37)39-32-33(31-36)40-35(38)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33,36H,3-32H2,1-2H3",C35H68O5,568.5066753
1929,"heptane, 2,3,6-trimethyl-",4032-93-3,DTXSID00871050,19944,"heptane, 2,3,6-trimethyl-",IHPXJGBVRWFEJB-UHFFFAOYSA-N,"2,3,6-Trimethylheptane",CC(C)CCC(C)C(C)C,"InChI=1S/C10H22/c1-8(2)6-7-10(5)9(3)4/h8-10H,6-7H2,1-5H3",C10H22,142.1721507
1930,"1,2,3,7,8-Pentachlorodibenzo-p-dioxin",40321-76-4,DTXSID7052078,38439,"1,2,3,7,8-Pentachlorodibenzo-p-dioxin",FSPZPQQWDODWAU-UHFFFAOYSA-N,"1,2,3,7,8-Pentachlorooxanthrene",ClC1=CC2=C(OC3=CC(Cl)=C(Cl)C=C3O2)C(Cl)=C1Cl,InChI=1S/C12H3Cl5O2/c13-4-1-7-8(2-5(4)14)19-12-9(18-7)3-6(15)10(16)11(12)17/h1-3H,C12H3Cl5O2,353.8575678
1931,"2,5,5-Trimethyl-2-hexene (ACI)",40467-04-7,,545914,"2,5,5-Trimethyl-2-hexene (ACI)",HRQAGBJHQCEBBY-UHFFFAOYSA-N,"2,5,5-trimethylhex-2-ene",C(=C(C)C)CC(C)(C)C,"InChI=1S/C9H18/c1-8(2)6-7-9(3,4)5/h6H,7H2,1-5H3",C9H18,126.141
1932,"1,2,3,4-Tetrabromo-5-(3,4-dibromophenoxy)benzene",405237-85-6,DTXSID20786910,71363340,"1,2,3,4-Tetrabromo-5-(3,4-dibromophenoxy)benzene",JSDPCMJWYRDQEV-UHFFFAOYSA-N,"1,2,3,4-Tetrabromo-5-(3,4-dibromophenoxy)benzene",BrC1=C(Br)C=C(OC2=CC(Br)=C(Br)C(Br)=C2Br)C=C1,InChI=1S/C12H4Br6O/c13-6-2-1-5(3-7(6)14)19-9-4-8(15)10(16)12(18)11(9)17/h1-4H,C12H4Br6O,637.536243
1933,Ethylbiphenyl,40529-66-6,DTXSID0068234,15742,"2-Ethyl-1,1'-biphenyl",DLMYHUARHITGIJ-UHFFFAOYSA-N,"2-Ethyl-1,1'-biphenyl",CCC1=C(C=CC=C1)C1=CC=CC=C1,"InChI=1S/C14H14/c1-2-12-8-6-7-11-14(12)13-9-4-3-5-10-13/h3-11H,2H2,1H3",C14H14,182.1095505
1934,"2(3H)-Furanone, dihydro-3-(3-methylbutyl)-",40541-41-1,DTXSID70885806,98170,"2(3H)-Furanone, dihydro-3-(3-methylbutyl)-",SGQTUZRWTKNTGV-UHFFFAOYSA-N,3-(3-Methylbutyl)oxolan-2-one,CC(C)CCC1CCOC1=O,"InChI=1S/C9H16O2/c1-7(2)3-4-8-5-6-11-9(8)10/h7-8H,3-6H2,1-2H3",C9H16O2,156.1150298
1935,"1-Phenyl-4-(2-phenylethyl)-1,2,3,4-tetrahydronaphthalene",40542-33-4,DTXSID70624959,22337952,"1-Phenyl-4-(2-phenylethyl)-1,2,3,4-tetrahydronaphthalene",ILCNDBNTTSAFLO-UHFFFAOYSA-N,"1-Phenyl-4-(2-phenylethyl)-1,2,3,4-tetrahydronaphthalene",C(CC1=CC=CC=C1)C1CCC(C2=CC=CC=C2)C2=CC=CC=C12,"InChI=1S/C24H24/c1-3-9-19(10-4-1)15-16-21-17-18-23(20-11-5-2-6-12-20)24-14-8-7-13-22(21)24/h1-14,21,23H,15-18H2",C24H24,312.1878008
1936,Cyanox CY 1790,40601-76-1,DTXSID8028008,93221,Cyanox CY 1790,XYXJKPCGSGVSBO-UHFFFAOYSA-N,"1,3,5-Tris[(4-tert-butyl-3-hydroxy-2,6-dimethylphenyl)methyl]-1,3,5-triazinane-2,4,6-trione",CC1=CC(=C(O)C(C)=C1CN1C(=O)N(CC2=C(C)C(O)=C(C=C2C)C(C)(C)C)C(=O)N(CC2=C(C)C(O)=C(C=C2C)C(C)(C)C)C1=O)C(C)(C)C,"InChI=1S/C42H57N3O6/c1-22-16-31(40(7,8)9)34(46)25(4)28(22)19-43-37(49)44(20-29-23(2)17-32(41(10,11)12)35(47)26(29)5)39(51)45(38(43)50)21-30-24(3)18-33(42(13,14)15)36(48)27(30)6/h16-18,46-48H,19-21H2,1-15H3",C42H57N3O6,699.4247366
1937,"4,4,5,7-Tetramethylchroman-2-One",40662-14-4,DTXSID001017173,605163,"4,4,5,7-Tetramethylchroman-2-One",SZFAEJMEHIBRMS-UHFFFAOYSA-N,"4,4,5,7-Tetramethyl-3,4-dihydro-2H-1-benzopyran-2-one",CC1=CC(C)=C2C(OC(=O)CC2(C)C)=C1,"InChI=1S/C13H16O2/c1-8-5-9(2)12-10(6-8)15-11(14)7-13(12,3)4/h5-6H,7H2,1-4H3",C13H16O2,204.1150298
1938,Nonahexacontanoic acid,40710-32-5,DTXSID70193695,38626,Nonahexacontanoic acid,KTUPKHQFSAAMEE-UHFFFAOYSA-N,Nonahexacontanoic acid,CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(O)=O,"InChI=1S/C69H138O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-41-42-43-44-45-46-47-48-49-50-51-52-53-54-55-56-57-58-59-60-61-62-63-64-65-66-67-68-69(70)71/h2-68H2,1H3,(H,70,71)",C69H138O2,999.0696837
1939,"2H-Tetrazole, 5-methyl-",4076-36-2,DTXSID0074710,138107,"2H-Tetrazole, 5-methyl-",XZGLNCKSNVGDNX-UHFFFAOYSA-N,5-Methyl-1H-tetrazole,CC1=NN=NN1,"InChI=1S/C2H4N4/c1-2-3-5-6-4-2/h1H3,(H,3,4,5,6)",C2H4N4,84.04359615
1940,1-Methylbenzo(C)phenanthrene,4076-39-5,DTXSID00193749,77695,1-Methylbenzo(C)phenanthrene,MDYAQLRNUYAINB-UHFFFAOYSA-N,1-Methylbenzo[c]phenanthrene,CC1=C2C(C=CC3=C2C2=CC=CC=C2C=C3)=CC=C1,"InChI=1S/C19H14/c1-13-5-4-7-15-11-12-16-10-9-14-6-2-3-8-17(14)19(16)18(13)15/h2-12H,1H3",C19H14,242.1095505
1942,"1,3-Dibromo-5-(4-bromophenoxy)benzene",407606-57-9,DTXSID70785695,71362053,"1,3-Dibromo-5-(4-bromophenoxy)benzene",UFFNOPDHJNQYKD-UHFFFAOYSA-N,"1,3-Dibromo-5-(4-bromophenoxy)benzene",BrC1=CC=C(OC2=CC(Br)=CC(Br)=C2)C=C1,InChI=1S/C12H7Br3O/c13-8-1-3-11(4-2-8)16-12-6-9(14)5-10(15)7-12/h1-7H,C12H7Br3O,403.804704
1943,Distearylmethylamine,4088-22-6,DTXSID6027559,77709,Distearylmethylamine,VFLWKHBYVIUAMP-UHFFFAOYSA-N,N-Methyl-N-octadecyloctadecan-1-amine,CCCCCCCCCCCCCCCCCCN(C)CCCCCCCCCCCCCCCCCC,"InChI=1S/C37H77N/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38(3)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h4-37H2,1-3H3",C37H77N,535.6056015
1944,Isophorone diisocyanate,4098-71-9,DTXSID0023826,169132,Isophorone diisocyanate,NIMLQBUJDJZYEJ-UHFFFAOYSA-N,"5-Isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane",CC1(C)CC(CC(C)(CN=C=O)C1)N=C=O,"InChI=1S/C12H18N2O2/c1-11(2)4-10(14-9-16)5-12(3,6-11)7-13-8-15/h10H,4-7H2,1-3H3",C12H18N2O2,222.1368278
1945,"3,3-Dimethyloctane",4110-44-5,DTXSID20194051,138117,"3,3-Dimethyloctane",DBULLUBYDONGLT-UHFFFAOYSA-N,"3,3-Dimethyloctane",CCCCCC(C)(C)CC,"InChI=1S/C10H22/c1-5-7-8-9-10(3,4)6-2/h5-9H2,1-4H3",C10H22,142.1721507
1946,"Furan, 2,5-diethyltetrahydro-",41239-48-9,DTXSID70866039,62913,"Furan, 2,5-diethyltetrahydro-",YKWLEIXVUHRKEF-UHFFFAOYSA-N,"2,5-Diethyloxolane",CCC1CCC(CC)O1,"InChI=1S/C8H16O/c1-3-7-5-6-8(4-2)9-7/h7-8H,3-6H2,1-2H3",C8H16O,128.1201151
1947,"2,6-Di-tert-butyl-4-ethylphenol",4130-42-1,DTXSID0029262,20087,"2,6-Di-tert-butyl-4-ethylphenol",BVUXDWXKPROUDO-UHFFFAOYSA-N,"2,6-Di-tert-butyl-4-ethylphenol",CCC1=CC(=C(O)C(=C1)C(C)(C)C)C(C)(C)C,"InChI=1S/C16H26O/c1-8-11-9-12(15(2,3)4)14(17)13(10-11)16(5,6)7/h9-10,17H,8H2,1-7H3",C16H26O,234.1983655
1948,"2,4,4'-Tribromodiphenyl ether",41318-75-6,DTXSID4052710,12110098,"2,4,4'-Tribromodiphenyl ether",UPNBETHEXPIWQX-UHFFFAOYSA-N,"2,4-Dibromo-1-(4-bromophenoxy)benzene",BrC1=CC=C(OC2=C(Br)C=C(Br)C=C2)C=C1,InChI=1S/C12H7Br3O/c13-8-1-4-10(5-2-8)16-12-6-3-9(14)7-11(12)15/h1-7H,C12H7Br3O,403.804704
1949,"3-tridecene, (z)-",41446-53-1,DTXSID40880767,5362711,"3-tridecene, (z)-",OMBXNSHDJUALCV-ALCCZGGFSA-N,(3Z)-Tridec-3-ene,CCCCCCCCC\C=C/CC,"InChI=1S/C13H26/c1-3-5-7-9-11-13-12-10-8-6-4-2/h5,7H,3-4,6,8-13H2,1-2H3/b7-5-",C13H26,182.2034508
1950,"4-tridecene, (z)-",41446-54-2,DTXSID30880852,5362712,"4-tridecene, (z)-",UJZLNVCZGZKIHR-CLFYSBASSA-N,(4Z)-Tridec-4-ene,CCCCCCCC\C=C/CCC,"InChI=1S/C13H26/c1-3-5-7-9-11-13-12-10-8-6-4-2/h7,9H,3-6,8,10-13H2,1-2H3/b9-7-",C13H26,182.2034508
1951,(5Z)-5-Tetradecene (ACI),41446-62-2,,5353012,(5Z)-5-Tetradecene (ACI),SNIFAVVHRQZYGO-LUAWRHEFSA-N,(Z)-tetradec-5-ene,C(=CCCCCCCCC)CCCC,"InChI=1S/C14H28/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h9,11H,3-8,10,12-14H2,1-2H3",C14H28,196.219
1952,"5-tetradecene, (e)-",41446-66-6,DTXSID50880854,5353013,"5-tetradecene, (e)-",SNIFAVVHRQZYGO-PKNBQFBNSA-N,(5E)-Tetradec-5-ene,CCCCCCCC\C=C\CCCC,"InChI=1S/C14H28/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h9,11H,3-8,10,12-14H2,1-2H3/b11-9+",C14H28,196.2191009
1953,trans-3-Tetradecene,41446-68-8,DTXSID501337510,5352802,trans-3-Tetradecene,QKTFNIWYLYTNIS-FNORWQNLSA-N,,CCCCCCCCCC\C=C\CC,"InChI=1S/C14H28/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h5,7H,3-4,6,8-14H2,1-2H3/b7-5+",C14H28,196.2191009
1954,"4-Tetradecene, (4E)-",41446-78-0,DTXSID60194358,521036,"4-Tetradecene, (4E)-",XEIYDTUADLFFTM-UHFFFAOYSA-N,Tetradec-4-ene,CCCCCCCCCC=CCCC,"InChI=1S/C14H28/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h7,9H,3-6,8,10-14H2,1-2H3",C14H28,196.2191009
1955,"2,2',3,5'-tetrachlorobiphenyl",41464-39-5,DTXSID8038302,38875,"2,2',3,5'-tetrachlorobiphenyl",ALDJIKXAHSDLLB-UHFFFAOYSA-N,"2,2',3,5'-Tetrachloro-1,1'-biphenyl",ClC1=CC(=C(Cl)C=C1)C1=C(Cl)C(Cl)=CC=C1,InChI=1S/C12H6Cl4/c13-7-4-5-10(14)9(6-7)8-2-1-3-11(15)12(8)16/h1-6H,C12H6Cl4,289.922361
1956,"2,2',4,5'-Tetrachlorobiphenyl",41464-40-8,DTXSID8073508,38876,"2,2',4,5'-Tetrachlorobiphenyl",ZWPVHELAQPIZHO-UHFFFAOYSA-N,"2,2',4,5'-Tetrachloro-1,1'-biphenyl",ClC1=CC(Cl)=C(C=C1)C1=C(Cl)C=CC(Cl)=C1,InChI=1S/C12H6Cl4/c13-7-2-4-11(15)10(5-7)9-3-1-8(14)6-12(9)16/h1-6H,C12H6Cl4,289.922361
1957,"2,2',5,6'-Tetrachlorobiphenyl",41464-41-9,DTXSID3073509,38877,"2,2',5,6'-Tetrachlorobiphenyl",SFTUSTXGTCCSHX-UHFFFAOYSA-N,"2,2',5,6'-Tetrachloro-1,1'-biphenyl",ClC1=CC(=C(Cl)C=C1)C1=C(Cl)C=CC=C1Cl,InChI=1S/C12H6Cl4/c13-7-4-5-9(14)8(6-7)12-10(15)2-1-3-11(12)16/h1-6H,C12H6Cl4,289.922361
1958,"2,3',4',6-Tetrachlorobiphenyl",41464-46-4,DTXSID8074154,38880,"2,3',4',6-Tetrachlorobiphenyl",WYVBETQIUHPLFO-UHFFFAOYSA-N,"2,3',4',6-Tetrachloro-1,1'-biphenyl",ClC1=CC=CC(Cl)=C1C1=CC(Cl)=C(Cl)C=C1,InChI=1S/C12H6Cl4/c13-8-5-4-7(6-11(8)16)12-9(14)2-1-3-10(12)15/h1-6H,C12H6Cl4,289.922361
1959,"Thiodiethylene bis(3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate)",41484-35-9,DTXSID7028011,64883,"Thiodiethylene bis(3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate)",VFBJXXJYHWLXRM-UHFFFAOYSA-N,"Sulfanediyldi(ethane-2,1-diyl) bis[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoate]",CC(C)(C)C1=CC(CCC(=O)OCCSCCOC(=O)CCC2=CC(=C(O)C(=C2)C(C)(C)C)C(C)(C)C)=CC(=C1O)C(C)(C)C,"InChI=1S/C38H58O6S/c1-35(2,3)27-21-25(22-28(33(27)41)36(4,5)6)13-15-31(39)43-17-19-45-20-18-44-32(40)16-14-26-23-29(37(7,8)9)34(42)30(24-26)38(10,11)12/h21-24,41-42H,13-20H2,1-12H3",C38H58O6S,642.3954108
1960,"Bis(1,2,2,6,6-pentamethyl-4-piperidinyl) sebacate",41556-26-7,DTXSID0036479,586744,"Bis(1,2,2,6,6-pentamethyl-4-piperidinyl) sebacate",RSOILICUEWXSLA-UHFFFAOYSA-N,"Bis(1,2,2,6,6-pentamethylpiperidin-4-yl) decanedioate",CN1C(C)(C)CC(CC1(C)C)OC(=O)CCCCCCCCC(=O)OC1CC(C)(C)N(C)C(C)(C)C1,"InChI=1S/C30H56N2O4/c1-27(2)19-23(20-28(3,4)31(27)9)35-25(33)17-15-13-11-12-14-16-18-26(34)36-24-21-29(5,6)32(10)30(7,8)22-24/h23-24H,11-22H2,1-10H3",C30H56N2O4,508.4240083
1961,"[1-Methyl-8-(propan-2-yl)tricyclo[4.4.0.0~2,7~]dec-3-en-3-yl]methanol",41610-69-9,DTXSID90961838,179519,"[1-Methyl-8-(propan-2-yl)tricyclo[4.4.0.0~2,7~]dec-3-en-3-yl]methanol",JIXPRNKLOIEGFI-UHFFFAOYSA-N,"[1-Methyl-8-(propan-2-yl)tricyclo[4.4.0.0~2,7~]dec-3-en-3-yl]methanol",CC(C)C1CCC2(C)C3CC=C(CO)C2C13,"InChI=1S/C15H24O/c1-9(2)11-6-7-15(3)12-5-4-10(8-16)14(15)13(11)12/h4,9,11-14,16H,5-8H2,1-3H3",C15H24O,220.1827154
1962,3-Phenylglutaric acid,4165-96-2,DTXSID30194466,77823,3-Phenylglutaric acid,RZOKZOYSUCSPDF-UHFFFAOYSA-N,3-Phenylpentanedioic acid,OC(=O)CC(CC(O)=O)C1=CC=CC=C1,"InChI=1S/C11H12O4/c12-10(13)6-9(7-11(14)15)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,13)(H,14,15)",C11H12O4,208.0735589
1963,Dihydroedulan II,41678-32-4,DTXSID601316713,11030688,Dihydroedulan II,IVTQSEFLDHBCDZ-LOWVWBTDSA-N,"(2S,4aR,8aS)-2,5,5,8a-Tetramethyl-3,4,4a,5,6,8a-hexahydro-2H-1-benzopyran",C[C@H]1CC[C@@H]2C(C)(C)CC=C[C@]2(C)O1,"InChI=1S/C13H22O/c1-10-6-7-11-12(2,3)8-5-9-13(11,4)14-10/h5,9-11H,6-8H2,1-4H3/t10-,11+,13-/m0/s1",C13H22O,194.1670653
1964,Crotonaldehyde,4170-30-3,DTXSID8024864,20138,Crotonaldehyde,MLUCVPSAIODCQM-UHFFFAOYSA-N,But-2-enal,CC=CC=O,"InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3",C4H6O,70.04186481
1965,"benzene, (1,1-diethylpropyl)-",4170-84-7,DTXSID00880925,20136,"benzene, (1,1-diethylpropyl)-",WLVNEALRNQEPMS-UHFFFAOYSA-N,(3-Ethylpentan-3-yl)benzene,CCC(CC)(CC)C1=CC=CC=C1,"InChI=1S/C13H20/c1-4-13(5-2,6-3)12-10-8-7-9-11-12/h7-11H,4-6H2,1-3H3",C13H20,176.1565006
1967,(E)-Anethole,4180-23-8,DTXSID9020087,637563,(E)-Anethole,RUVINXPYWBROJD-ONEGZZNKSA-N,1-Methoxy-4-[(1E)-prop-1-en-1-yl]benzene,COC1=CC=C(\C=C\C)C=C1,"InChI=1S/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3-8H,1-2H3/b4-3+",C10H12O,148.088815
1968,"5,6-Dimethyl-1H-benzotriazole",4184-79-6,DTXSID70881186,77849,"5,6-Dimethyl-1H-benzotriazole",MVPKIPGHRNIOPT-UHFFFAOYSA-N,"5,6-Dimethyl-2H-benzotriazole",CC1=CC2=NNN=C2C=C1C,"InChI=1S/C8H9N3/c1-5-3-7-8(4-6(5)2)10-11-9-7/h3-4H,1-2H3,(H,9,10,11)",C8H9N3,147.0796473
1969,"1,2-Dibutylcyclopropane",41977-32-6,DTXSID90337615,543689,"1,2-Dibutylcyclopropane",NFTQIMBYKJVJIT-UHFFFAOYSA-N,"1,2-Dibutylcyclopropane",CCCCC1CC1CCCC,"InChI=1S/C11H22/c1-3-5-7-10-9-11(10)8-6-4-2/h10-11H,3-9H2,1-2H3",C11H22,154.1721507
1970,"1,1,2-trimethyl-3-(2-methylpropyl)cyclopropane",41977-43-9,DTXSID50337691,544064,"1,1,2-trimethyl-3-(2-methylpropyl)cyclopropane",TUOVYOKHPFZFRR-UHFFFAOYSA-N,"1,1,2-Trimethyl-3-(2-methylpropyl)cyclopropane",CC(C)CC1C(C)C1(C)C,"InChI=1S/C10H20/c1-7(2)6-9-8(3)10(9,4)5/h7-9H,6H2,1-5H3",C10H20,140.1565006
1971,2-Methylbicyclo[4.1.0]heptane (ACI),41977-46-2,,549097,2-Methylbicyclo[4.1.0]heptane (ACI),LGSGIWBAKCYGBB-UHFFFAOYSA-N,2-methylbicyclo[4.1.0]heptane,CC1CCCC2CC12,"InChI=1S/C8H14/c1-6-3-2-4-7-5-8(6)7/h6-8H,2-5H2,1H3",C8H14,110.11
1972,3-Methylbicyclo[4.1.0]heptane (ACI),41977-47-3,,557049,3-Methylbicyclo[4.1.0]heptane (ACI),QYCGHFOTMYKMIY-UHFFFAOYSA-N,3-methylbicyclo[4.1.0]heptane,CC1CCC2CC2C1,"InChI=1S/C8H14/c1-6-2-3-7-5-8(7)4-6/h6-8H,2-5H2,1H3",C8H14,110.11
1973,"Dodecane, 1-isocyanato-",4202-38-4,DTXSID6063351,77873,"Dodecane, 1-isocyanato-",YIDSTEJLDQMWBR-UHFFFAOYSA-N,1-Isocyanatododecane,CCCCCCCCCCCCN=C=O,"InChI=1S/C13H25NO/c1-2-3-4-5-6-7-8-9-10-11-12-14-13-15/h2-12H2,1H3",C13H25NO,211.1936144
1974,"hexadecanoic acid, 2-hydroxyethyl ester",4219-49-2,DTXSID10863345,20201,"hexadecanoic acid, 2-hydroxyethyl ester",BXCRLBBIZJSWNS-UHFFFAOYSA-N,2-Hydroxyethyl hexadecanoate,CCCCCCCCCCCCCCCC(=O)OCCO,"InChI=1S/C18H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(20)21-17-16-19/h19H,2-17H2,1H3",C18H36O3,300.266445
1975,"cyclopropanepentanoic acid, 2-undecyl-, methyl ester, trans-",42199-20-2,DTXSID30880933,91691232,"cyclopropanepentanoic acid, 2-undecyl-, methyl ester, trans-",RBKVUWMZDIQOTG-OALUTQOASA-N,"Methyl 5-[(1S,2S)-2-undecylcyclopropyl]pentanoate",CCCCCCCCCCC[C@H]1C[C@@H]1CCCCC(=O)OC,"InChI=1S/C20H38O2/c1-3-4-5-6-7-8-9-10-11-14-18-17-19(18)15-12-13-16-20(21)22-2/h18-19H,3-17H2,1-2H3/t18-,19-/m0/s1",C20H38O2,310.2871805
1976,"Benzoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, 2,4-bis(1,1-dimethylethyl)phenyl ester",4221-80-1,DTXSID5063364,77897,"Benzoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, 2,4-bis(1,1-dimethylethyl)phenyl ester",KJYSXRBJOSZLEL-UHFFFAOYSA-N,"2,4-Di-tert-butylphenyl 3,5-di-tert-butyl-4-hydroxybenzoate",CC(C)(C)C1=CC(=C(OC(=O)C2=CC(=C(O)C(=C2)C(C)(C)C)C(C)(C)C)C=C1)C(C)(C)C,"InChI=1S/C29H42O3/c1-26(2,3)19-13-14-23(20(17-19)27(4,5)6)32-25(31)18-15-21(28(7,8)9)24(30)22(16-18)29(10,11)12/h13-17,30H,1-12H3",C29H42O3,438.3133952
1977,Chloroicosane,42217-02-7,DTXSID60195042,39150,Chloroicosane,AFGNVSCTEXUEJE-UHFFFAOYSA-N,1-Chloroicosane,CCCCCCCCCCCCCCCCCCCCCl,"InChI=1S/C20H41Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21/h2-20H2,1H3",C20H41Cl,316.289679
1978,Phenyl laurate,4228-00-6,DTXSID0063367,77903,Phenyl laurate,ZPORCTAUIXXZAI-UHFFFAOYSA-N,Phenyl dodecanoate,CCCCCCCCCCCC(=O)OC1=CC=CC=C1,"InChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-9-13-16-18(19)20-17-14-11-10-12-15-17/h10-12,14-15H,2-9,13,16H2,1H3",C18H28O2,276.2089301
1979,Butyl isodecyl phthalate,42343-36-2,DTXSID10195158,,Butyl isodecyl phthalate,,,,,,
1980,"benzene, 1-methyl-4-[(2-propenyloxy)methyl]-",42463-79-6,DTXSID00880788,570621,"benzene, 1-methyl-4-[(2-propenyloxy)methyl]-",GWYIZVBRIVPDIQ-UHFFFAOYSA-N,1-Methyl-4-{[(prop-2-en-1-yl)oxy]methyl}benzene,CC1=CC=C(COCC=C)C=C1,"InChI=1S/C11H14O/c1-3-8-12-9-11-6-4-10(2)5-7-11/h3-7H,1,8-9H2,2H3",C11H14O,162.1044651
1981,"2,3,5-Trithiahexane",42474-44-2,DTXSID80195261,93236,"2,3,5-Trithiahexane",MYIOBINSHMEDEY-UHFFFAOYSA-N,(Methyldisulfanyl)(methylsulfanyl)methane,CSCSSC,"InChI=1S/C3H8S3/c1-4-3-6-5-2/h3H2,1-2H3",C3H8S3,139.9788138
1982,tert-Butyl carbamate,4248-19-5,DTXSID20195265,77922,tert-Butyl carbamate,LFKDJXLFVYVEFG-UHFFFAOYSA-N,tert-Butyl carbamate,CC(C)(C)OC(N)=O,"InChI=1S/C5H11NO2/c1-5(2,3)8-4(6)7/h1-3H3,(H2,6,7)",C5H11NO2,117.0789786
1983,"2,2'-Thiodipyridine",4262-06-0,DTXSID00334554,521114,"2,2'-Thiodipyridine",AQYNZOSCOWGGTP-UHFFFAOYSA-N,"2,2'-Sulfanediyldipyridine",S(C1=CC=CC=N1)C1=CC=CC=N1,InChI=1S/C10H8N2S/c1-3-7-11-9(5-1)13-10-6-2-4-8-12-10/h1-8H,C10H8N2S,188.0408194
1984,2-Methyl-1-benzofuran,4265-25-2,DTXSID40863353,20263,2-Methyl-1-benzofuran,GBGPVUAOTCNZPT-UHFFFAOYSA-N,2-Methyl-1-benzofuran,CC1=CC2=CC=CC=C2O1,"InChI=1S/C9H8O/c1-7-6-8-4-2-3-5-9(8)10-7/h2-6H,1H3",C9H8O,132.0575149
1985,"1,8-Diazacyclotetradeca-1,7-diene-2,7-diol",4266-66-4,DTXSID70962621,283592,"1,8-Diazacyclotetradecane-2,7-dione",SXNYYEPTQTZOHG-UHFFFAOYSA-N,"1,8-Diazacyclotetradeca-1,7-diene-2,7-diol",O=C1CCCCC(=O)NCCCCCCN1,"InChI=1S/C12H22N2O2/c15-11-7-3-4-8-12(16)14-10-6-2-1-5-9-13-11/h1-10H2,(H,13,15)(H,14,16)",C12H22N2O2,226.168128
1986,"5-Dodecene (7CI, 9CI, ACI)",42714-70-5,,522441,"5-Dodecene (7CI, 9CI, ACI)",ZOKYTRIEIDWYSG-UHFFFAOYSA-N,dodec-5-ene,C(=CCCCCCC)CCCC,"InChI=1S/C12H24/c1-3-5-7-9-11-12-10-8-6-4-2/h9,11H,3-8,10,12H2,1-2H3",C12H24,168.188
1987,"1,2,3,4,4a,5,6,8a-Octahydro-naphthalene",4276-46-4,DTXSID90340568,565677,"1,2,3,4,4a,5,6,8a-Octahydro-naphthalene",FYHNWJNOEQBNGO-UHFFFAOYSA-N,"1,2,3,4,4a,5,6,8a-Octahydronaphthalene",C1CCC2C=CCCC2C1,"InChI=1S/C10H16/c1-2-6-10-8-4-3-7-9(10)5-1/h1,5,9-10H,2-4,6-8H2",C10H16,136.1252005
1988,"naphthalene, 5-ethyl-1,2,3,4-tetrahydro-",42775-75-7,DTXSID80871391,54756,"naphthalene, 5-ethyl-1,2,3,4-tetrahydro-",WHCKFZOMBDMRLO-UHFFFAOYSA-N,"5-Ethyl-1,2,3,4-tetrahydronaphthalene",CCC1=CC=CC2=C1CCCC2,"InChI=1S/C12H16/c1-2-10-7-5-8-11-6-3-4-9-12(10)11/h5,7-8H,2-4,6,9H2,1H3",C12H16,160.1252005
1989,1-(1-Methylethoxy)-2-propanone (ACI),42781-12-4,,536431,1-(1-Methylethoxy)-2-propanone (ACI),SICINPWJIHTHON-UHFFFAOYSA-N,1-propan-2-yloxypropan-2-one,O=C(C)COC(C)C,"InChI=1S/C6H12O2/c1-5(2)8-4-6(3)7/h5H,4H2,1-3H3",C6H12O2,116.084
1990,1-Methyl-2-propyl-cyclohexane,4291-79-6,DTXSID70871067,107252,1-Methyl-2-propyl-cyclohexane,BVYJEKBXVYKYRA-UHFFFAOYSA-N,1-Methyl-2-propylcyclohexane,CCCC1CCCCC1C,"InChI=1S/C10H20/c1-3-6-10-8-5-4-7-9(10)2/h9-10H,3-8H2,1-2H3",C10H20,140.1565006
1991,Lauramidopropyl betaine,4292-10-8,DTXSID4041282,20280,Amidopropylalkyl carboxymethyl dimethyl ammonium compound C12 (apAcMDMAC C12),MRUAUOIMASANKQ-UHFFFAOYSA-N,{[3-(Dodecanoylamino)propyl](dimethyl)azaniumyl}acetate,CCCCCCCCCCCC(=O)NCCC[N+](C)(C)CC([O-])=O,"InChI=1S/C19H38N2O3/c1-4-5-6-7-8-9-10-11-12-14-18(22)20-15-13-16-21(2,3)17-19(23)24/h4-17H2,1-3H3,(H-,20,22,23,24)",C19H38N2O3,342.2882431
1992,Hexylcyclohexane,4292-75-5,DTXSID7063398,20283,Hexylcyclohexane,QHWAQXOSHHKCFK-UHFFFAOYSA-N,Hexylcyclohexane,CCCCCCC1CCCCC1,"InChI=1S/C12H24/c1-2-3-4-6-9-12-10-7-5-8-11-12/h12H,2-11H2,1H3",C12H24,168.1878008
1993,Pentylcyclohexane,4292-92-6,DTXSID2063399,20284,Pentylcyclohexane,HLTMUYBTNSVOFY-UHFFFAOYSA-N,Pentylcyclohexane,CCCCCC1CCCCC1,"InChI=1S/C11H22/c1-2-3-5-8-11-9-6-4-7-10-11/h11H,2-10H2,1H3",C11H22,154.1721507
1994,4-(prop-2-enoyloxy)octane,42928-87-0,DTXSID10880890,543889,4-(prop-2-enoyloxy)octane,IJRVDOPVQJSPRP-UHFFFAOYSA-N,Octan-4-yl prop-2-enoate,CCCCC(CCC)OC(=O)C=C,"InChI=1S/C11H20O2/c1-4-7-9-10(8-5-2)13-11(12)6-3/h6,10H,3-5,7-9H2,1-2H3",C11H20O2,184.1463299
1995,"Urea, N-heptyl-",42955-46-4,DTXSID40195580,39357,"Urea, N-heptyl-",LDNJCDRFTFLQLF-UHFFFAOYSA-N,N-Heptylurea,CCCCCCCNC(N)=O,"InChI=1S/C8H18N2O/c1-2-3-4-5-6-7-10-8(9)11/h2-7H2,1H3,(H3,9,10,11)",C8H18N2O,158.1419132
1996,Tripropylene glycol diacrylate,42978-66-5,DTXSID7028015,4128060,Tripropylene glycol diacrylate,LJRSZGKUUZPHEB-UHFFFAOYSA-N,1-{[1-({1-[(Prop-2-enoyl)oxy]propan-2-yl}oxy)propan-2-yl]oxy}propan-2-yl prop-2-enoate,CC(COC(C)COC(=O)C=C)OCC(C)OC(=O)C=C,"InChI=1S/C15H24O6/c1-6-14(16)20-9-12(4)18-8-11(3)19-10-13(5)21-15(17)7-2/h6-7,11-13H,1-2,8-10H2,3-5H3",C15H24O6,300.1572885
1997,"1,2-Dichloro-1-fluoroethane",430-57-9,DTXSID50861926,79004,"1,2-Dichloro-1-fluoroethane",NDKGUMMLYBINOC-UHFFFAOYSA-N,"1,2-Dichloro-1-fluoroethane",FC(Cl)CCl,"InChI=1S/C2H3Cl2F/c3-1-2(4)5/h2H,1H2",C2H3Cl2F,115.9595837
1998,"1-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-2-butenone",43052-87-5,DTXSID0052097,62002,"1-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-2-butenone",CRIGTVCBMUKRSL-UHFFFAOYSA-N,"1-(2,6,6-Trimethylcyclohex-2-en-1-yl)but-2-en-1-one",CC=CC(=O)C1C(C)=CCCC1(C)C,"InChI=1S/C13H20O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5,7-8,12H,6,9H2,1-4H3",C13H20O,192.1514153
1999,"2,3-Butanedione",431-03-8,DTXSID6021583,650,"2,3-Butanedione",QSJXEFYPDANLFS-UHFFFAOYSA-N,"Butane-2,3-dione",CC(=O)C(C)=O,InChI=1S/C4H6O2/c1-3(5)4(2)6/h1-2H3,C4H6O2,86.03677943
2000,"Benzoic acid, 4-(1,1-dimethylethyl)-, hydrazide",43100-38-5,DTXSID7074747,123513,"Benzoic acid, 4-(1,1-dimethylethyl)-, hydrazide",XYUFQWDLRLHUPB-UHFFFAOYSA-N,4-tert-Butylbenzohydrazide,CC(C)(C)C1=CC=C(C=C1)C(=O)NN,"InChI=1S/C11H16N2O/c1-11(2,3)9-6-4-8(5-7-9)10(14)13-12/h4-7H,12H2,1-3H3,(H,13,14)",C11H16N2O,192.1262631
2001,1-Octen-3-one,4312-99-6,DTXSID5047162,61346,1-Octen-3-one,KLTVSWGXIAYTHO-UHFFFAOYSA-N,Oct-1-en-3-one,CCCCCC(=O)C=C,"InChI=1S/C8H14O/c1-3-5-6-7-8(9)4-2/h4H,2-3,5-7H2,1H3",C8H14O,126.1044651
2002,"(2E,4E)-Hepta-2,4-dienal",4313-03-5,DTXSID60872846,5283321,"(2E,4E)-Hepta-2,4-dienal",SATICYYAWWYRAM-VNKDHWASSA-N,"(2E,4E)-Hepta-2,4-dienal",CC\C=C\C=C\C=O,"InChI=1S/C7H10O/c1-2-3-4-5-6-7-8/h3-7H,2H2,1H3/b4-3+,6-5+",C7H10O,110.0731649
2003,"3,5,5-Trimethylhex-1-ene",4316-65-8,DTXSID10863365,92984,"3,5,5-Trimethylhex-1-ene",JTXUVHFRSRTSAT-UHFFFAOYSA-N,"3,5,5-Trimethylhex-1-ene",CC(CC(C)(C)C)C=C,"InChI=1S/C9H18/c1-6-8(2)7-9(3,4)5/h6,8H,1,7H2,2-5H3",C9H18,126.1408506
2004,beta-Cyclocitral,432-25-7,DTXSID7047142,9895,beta-Cyclocitral,MOQGCGNUWBPGTQ-UHFFFAOYSA-N,"2,6,6-Trimethylcyclohex-1-ene-1-carbaldehyde",CC1=C(C=O)C(C)(C)CCC1,"InChI=1S/C10H16O/c1-8-5-4-6-10(2,3)9(8)7-11/h7H,4-6H2,1-3H3",C10H16O,152.1201151
2005,"rel-(1S,4R,5R)-1,8-Dimethyl-4-(1-methylethenyl)spiro[4.5]dec-7-ene (ACI)",43219-80-3,,,"rel-(1S,4R,5R)-1,8-Dimethyl-4-(1-methylethenyl)spiro[4.5]dec-7-ene (ACI)",DVBSKQAFCDJNSL-CKNGHHRPNA-N,,C=C(C)C1CCC(C)C21CC=C(C)CC2,"InChI=1S/C15H24/c1-11(2)14-6-5-13(4)15(14)9-7-12(3)8-10-15/h7,13-14H,1,5-6,8-10H2,2-4H3",,
2006,2-Methoxypropionic acid,4324-37-2,DTXSID6044018,92209,2-Methoxypropionic acid,ICPWFHKNYYRBSZ-UHFFFAOYSA-N,2-Methoxypropanoic acid,COC(C)C(O)=O,"InChI=1S/C4H8O3/c1-3(7-2)4(5)6/h3H,1-2H3,(H,5,6)",C4H8O3,104.0473441
2007,Mono(2-ethylhexyl) adipate,4337-65-9,DTXSID3025679,20342,Mono(2-ethylhexyl) adipate,MBGYSHXGENGTBP-UHFFFAOYSA-N,6-[(2-Ethylhexyl)oxy]-6-oxohexanoic acid,CCCCC(CC)COC(=O)CCCCC(O)=O,"InChI=1S/C14H26O4/c1-3-5-8-12(4-2)11-18-14(17)10-7-6-9-13(15)16/h12H,3-11H2,1-2H3,(H,15,16)",C14H26O4,258.1831093
2008,"Formic acid, cyclohexyl ester",4351-54-6,DTXSID2063426,20358,"Formic acid, cyclohexyl ester",VUXKVKAHWOVIDN-UHFFFAOYSA-N,Cyclohexyl formate,O=COC1CCCCC1,"InChI=1S/C7H12O2/c8-6-9-7-4-2-1-3-5-7/h6-7H,1-5H2",C7H12O2,128.0837296
2009,"1,1-bis(4-methoxyphenyl)ethylene",4356-69-8,DTXSID90311733,316724,"1,1-bis(4-methoxyphenyl)ethylene",OTWNHTGTCBAVGG-UHFFFAOYSA-N,"1,1'-(Ethene-1,1-diyl)bis(4-methoxybenzene)",COC1=CC=C(C=C1)C(=C)C1=CC=C(OC)C=C1,"InChI=1S/C16H16O2/c1-12(13-4-8-15(17-2)9-5-13)14-6-10-16(18-3)11-7-14/h4-11H,1H2,2-3H3",C16H16O2,240.1150298
2010,"Benzeneacetic acid, .alpha.-hydroxy-, methyl ester",4358-87-6,DTXSID30871907,78066,"Benzeneacetic acid, .alpha.-hydroxy-, methyl ester",ITATYELQCJRCCK-UHFFFAOYSA-N,Methyl hydroxy(phenyl)acetate,COC(=O)C(O)C1=CC=CC=C1,"InChI=1S/C9H10O3/c1-12-9(11)8(10)7-5-3-2-4-6-7/h2-6,8,10H,1H3",C9H10O3,166.0629942
2011,"2-Ethyl-4-methyl-1,3-dioxolane",4359-46-0,DTXSID20863376,92210,"2-Ethyl-4-methyl-1,3-dioxolane",CSZCLQLJVFLXLI-UHFFFAOYSA-N,"2-Ethyl-4-methyl-1,3-dioxolane",CCC1OCC(C)O1,"InChI=1S/C6H12O2/c1-3-6-7-4-5(2)8-6/h5-6H,3-4H2,1-2H3",C6H12O2,116.0837296
2012,MEHP,4376-20-9,DTXSID2025680,20393,Mono(2-ethylhexyl) phthalate,DJDSLBVSSOQSLW-UHFFFAOYSA-N,2-{[(2-Ethylhexyl)oxy]carbonyl}benzoic acid,CCCCC(CC)COC(=O)C1=CC=CC=C1C(O)=O,"InChI=1S/C16H22O4/c1-3-5-8-12(4-2)11-20-16(19)14-10-7-6-9-13(14)15(17)18/h6-7,9-10,12H,3-5,8,11H2,1-2H3,(H,17,18)",C16H22O4,278.1518092
2013,"2,2',3,3',4,5,5',6,6'-Nonobromodiphenyl ether",437701-78-5,DTXSID40556652,14149410,"2,2',3,3',4,5,5',6,6'-Nonobromodiphenyl ether",ASGZXYIDLFWXID-UHFFFAOYSA-N,"1,2,3,4,5-Pentabromo-6-(2,3,5,6-tetrabromophenoxy)benzene",BrC1=CC(Br)=C(Br)C(OC2=C(Br)C(Br)=C(Br)C(Br)=C2Br)=C1Br,InChI=1S/C12HBr9O/c13-2-1-3(14)5(16)11(4(2)15)22-12-9(20)7(18)6(17)8(19)10(12)21/h1H,C12HBr9O,871.267782
2014,"2,2?,3,3?,4,4?,5,6,6?-Nonabromodiphenyl ether",437701-79-6,DTXSID30451985,11018364,"2,2′,3,3′,4,4′,5,6,6′-Nonabromodiphenyl ether",IEEVDIAVLGLVOW-UHFFFAOYSA-N,"1,2,3,4,5-Pentabromo-6-(2,3,4,6-tetrabromophenoxy)benzene",BrC1=CC(Br)=C(Br)C(Br)=C1OC1=C(Br)C(Br)=C(Br)C(Br)=C1Br,InChI=1S/C12HBr9O/c13-2-1-3(14)11(8(19)4(2)15)22-12-9(20)6(17)5(16)7(18)10(12)21/h1H,C12HBr9O,871.267782
2015,"(2S,3S,3aR,4R,6S,7R,10E,12R,13aR)-3,4,6,13a-Tetrakis(acetyloxy)-2,3,3a,4,5,6,7,8,9,12,13,13a-dodecahydro-2,9,9,12-tetramethyl-5-methylene-8,13-dioxo-1H-cyclopentacyclododecen-7-yl 2-methylpropanoate (ACI)",438542-31-5,,95223052,"(2S,3S,3aR,4R,6S,7R,10E,12R,13aR)-3,4,6,13a-Tetrakis(acetyloxy)-2,3,3a,4,5,6,7,8,9,12,13,13a-dodecahydro-2,9,9,12-tetramethyl-5-methylene-8,13-dioxo-1H-cyclopentacyclododecen-7-yl 2-methylpropanoate (ACI)",NOFXXAHHOJWYAL-ZEQHQKSXSA-N,"[(1S,2S,3aR,5R,6E,10R,11S,13R,13aR)-1,3a,11,13-tetraacetyloxy-2,5,8,8-tetramethyl-12-methylidene-4,9-dioxo-1,2,3,5,10,11,13,13a-octahydrocyclopenta[12]annulen-10-yl] 2-methylpropanoate",O=C(OC1C(=C)C(OC(=O)C)C2C(OC(=O)C)C(C)CC2(OC(=O)C)C(=O)C(C=CC(C(=O)C1OC(=O)C(C)C)(C)C)C)C,"InChI=1S/C32H44O12/c1-15(2)30(39)43-27-26(42-21(8)35)18(5)25(41-20(7)34)23-24(40-19(6)33)17(4)14-32(23,44-22(9)36)28(37)16(3)12-13-31(10,11)29(27)38/h12-13,15-17,23-27H,5,14H2,1-4,6-11H3",C32H44O12,620.283
2016,Bisphenol A bis(trimethylsilyl) ether,4387-16-0,,526590,Bisphenol A bis(trimethylsilyl) ether,QLAHMUJINXIWJF-UHFFFAOYSA-N,trimethyl-[4-[2-(4-trimethylsilyloxyphenyl)propan-2-yl]phenoxy]silane,O(C1=CC=C(C=C1)C(C2=CC=C(O[Si](C)(C)C)C=C2)(C)C)[Si](C)(C)C,"InChI=1S/C21H32O2Si2/c1-21(2,17-9-13-19(14-10-17)22-24(3,4)5)18-11-15-20(16-12-18)23-25(6,7)8/h9-16H,1-8H3",C21H32O2Si2,372.194
2017,"5,6-Dihydro-4H-benzo[de]anthracene",4389-09-7,DTXSID10460510,11264439,"5,6-Dihydro-4H-benzo[de]anthracene",VFZDNSWGNPSQLY-UHFFFAOYSA-N,"5,6-Dihydro-4H-benzo[de]anthracene",C1CC2=CC3=CC=CC=C3C3=CC=CC(C1)=C23,"InChI=1S/C17H14/c1-2-9-15-13(5-1)11-14-8-3-6-12-7-4-10-16(15)17(12)14/h1-2,4-5,7,9-11H,3,6,8H2",C17H14,218.1095505
2018,"2,2,4,4,6,8,8-Heptamethylnonane",4390-04-9,DTXSID7052101,20414,"2,2,4,4,6,8,8-Heptamethylnonane",VCLJODPNBNEBKW-UHFFFAOYSA-N,"2,2,4,4,6,8,8-Heptamethylnonane",CC(CC(C)(C)C)CC(C)(C)CC(C)(C)C,"InChI=1S/C16H34/c1-13(10-14(2,3)4)11-16(8,9)12-15(5,6)7/h13H,10-12H2,1-9H3",C16H34,226.2660511
2019,4-Morpholinecarboxaldehyde,4394-85-8,DTXSID7044427,20417,4-Morpholinecarboxaldehyde,LCEDQNDDFOCWGG-UHFFFAOYSA-N,Morpholine-4-carbaldehyde,O=CN1CCOCC1,"InChI=1S/C5H9NO2/c7-5-6-1-3-8-4-2-6/h5H,1-4H2",C5H9NO2,115.0633285
2020,"1,1-Dicyclopentylethane",4413-21-2,DTXSID60306535,301115,"1,1-Dicyclopentylethane",XWKIKXOZAGBKSO-UHFFFAOYSA-N,"1,1'-(Ethane-1,1-diyl)dicyclopentane",CC(C1CCCC1)C1CCCC1,"InChI=1S/C12H22/c1-10(11-6-2-3-7-11)12-8-4-5-9-12/h10-12H,2-9H2,1H3",C12H22,166.1721507
2022,2-Phenylpropenal,4432-63-7,,10312,2-Phenylpropenal,ZFBRJUBOJXNIQM-UHFFFAOYSA-N,2-phenylprop-2-enal,O=CC(=C)C=1C=CC=CC1,"InChI=1S/C9H8O/c1-8(7-10)9-5-3-2-4-6-9/h2-7H,1H2",C9H8O,132.058
2028,BDE-50,446254-23-5,DTXSID00879874,86208495,BDE-50,FXUAKFRJBKFDSY-UHFFFAOYSA-N,"1,3,5-Tribromo-2-(2-bromophenoxy)benzene",BrC1=CC(Br)=C(OC2=C(Br)C=CC=C2)C(Br)=C1,InChI=1S/C12H6Br4O/c13-7-5-9(15)12(10(16)6-7)17-11-4-2-1-3-8(11)14/h1-6H,C12H6Br4O,481.715217
2029,BDE-53,446254-25-7,DTXSID20879876,86208496,BDE-53,SDVQGIMOFXMKHR-UHFFFAOYSA-N,"1,3-Dibromo-2-(2,5-dibromophenoxy)benzene",BrC1=CC=C(Br)C(OC2=C(Br)C=CC=C2Br)=C1,InChI=1S/C12H6Br4O/c13-7-4-5-8(14)11(6-7)17-12-9(15)2-1-3-10(12)16/h1-6H,C12H6Br4O,481.715217
2030,"1,2,3-Tribromo-4-(3-bromophenoxy)benzene",446254-27-9,DTXSID90881108,22833475,"1,2,3-Tribromo-4-(3-bromophenoxy)benzene",VIHUMJGEWQPWOT-UHFFFAOYSA-N,"1,2,3-Tribromo-4-(3-bromophenoxy)benzene",BrC1=CC=CC(OC2=CC=C(Br)C(Br)=C2Br)=C1,InChI=1S/C12H6Br4O/c13-7-2-1-3-8(6-7)17-10-5-4-9(14)11(15)12(10)16/h1-6H,C12H6Br4O,481.715217
2033,BDE-67,446254-37-1,DTXSID90879888,86208509,BDE-67,OARGWSONVLGXQA-UHFFFAOYSA-N,"1,2,4-Tribromo-5-(3-bromophenoxy)benzene",BrC1=CC=CC(OC2=CC(Br)=C(Br)C=C2Br)=C1,InChI=1S/C12H6Br4O/c13-7-2-1-3-8(4-7)17-12-6-10(15)9(14)5-11(12)16/h1-6H,C12H6Br4O,481.715217
2038,BDE-78,446254-45-1,DTXSID80879897,86208517,BDE-78,HWOBLTZZSVXBOJ-UHFFFAOYSA-N,"1,2,3-Tribromo-5-(3-bromophenoxy)benzene",BrC1=CC=CC(OC2=CC(Br)=C(Br)C(Br)=C2)=C1,InChI=1S/C12H6Br4O/c13-7-2-1-3-8(4-7)17-9-5-10(14)12(16)11(15)6-9/h1-6H,C12H6Br4O,481.715217
2039,BDE-79,446254-48-4,DTXSID40879898,86208519,BDE-79,LELQGHJEUVRPEV-UHFFFAOYSA-N,"1,2-Dibromo-4-(3,5-dibromophenoxy)benzene",BrC1=CC(OC2=CC=C(Br)C(Br)=C2)=CC(Br)=C1,InChI=1S/C12H6Br4O/c13-7-3-8(14)5-10(4-7)17-9-1-2-11(15)12(16)6-9/h1-6H,C12H6Br4O,481.715217
2040,BDE-81,446254-50-8,DTXSID00879899,86208520,BDE-81,ULFOIXCXIWHJDS-UHFFFAOYSA-N,"1,2,3-Tribromo-5-(4-bromophenoxy)benzene",BrC1=CC=C(OC2=CC(Br)=C(Br)C(Br)=C2)C=C1,InChI=1S/C12H6Br4O/c13-7-1-3-8(4-2-7)17-9-5-10(14)12(16)11(15)6-9/h1-6H,C12H6Br4O,481.715217
2045,BDE-101,446254-65-5,DTXSID80879913,86208534,BDE-101,QUZWDWNIWWAQDI-UHFFFAOYSA-N,"1,2,4-Tribromo-5-(2,5-dibromophenoxy)benzene",BrC1=CC=C(Br)C(OC2=C(Br)C=C(Br)C(Br)=C2)=C1,InChI=1S/C12H5Br5O/c13-6-1-2-7(14)11(3-6)18-12-5-9(16)8(15)4-10(12)17/h1-5H,C12H5Br5O,559.62573
2046,BDE-102,446254-66-6,DTXSID40879914,86208535,BDE-102,JHFMCUVMAIQWRI-UHFFFAOYSA-N,"1,2,4-Tribromo-5-(2,6-dibromophenoxy)benzene",BrC1=CC(Br)=C(OC2=C(Br)C=CC=C2Br)C=C1Br,InChI=1S/C12H5Br5O/c13-6-2-1-3-7(14)12(6)18-11-5-9(16)8(15)4-10(11)17/h1-5H,C12H5Br5O,559.62573
2050,BDE-109,446254-72-4,DTXSID10879921,86208541,BDE-109,FXXXWTMLIQLDRP-UHFFFAOYSA-N,"1,2,3,5-Tetrabromo-4-(3-bromophenoxy)benzene",BrC1=CC=CC(OC2=C(Br)C=C(Br)C(Br)=C2Br)=C1,InChI=1S/C12H5Br5O/c13-6-2-1-3-7(4-6)18-12-9(15)5-8(14)10(16)11(12)17/h1-5H,C12H5Br5O,559.62573
2051,"1,2,4-Tribromo-5-(3,4-dibromophenoxy)benzene",446254-80-4,DTXSID40724016,57358122,"1,2,4-Tribromo-5-(3,4-dibromophenoxy)benzene",VTMFEPLDDHZBGI-UHFFFAOYSA-N,"1,2,4-Tribromo-5-(3,4-dibromophenoxy)benzene",BrC1=CC(Br)=C(Br)C=C1OC1=CC(Br)=C(Br)C=C1,InChI=1S/C12H5Br5O/c13-7-2-1-6(3-8(7)14)18-12-5-10(16)9(15)4-11(12)17/h1-5H,C12H5Br5O,559.62573
2055,BDE-127,446254-86-0,DTXSID40879934,86208445,"1,2,3-Tribromo-5-(3,5-dibromophenoxy)benzene",RATMRXKBPDCKCZ-UHFFFAOYSA-N,"1,2,3-Tribromo-5-(3,5-dibromophenoxy)benzene",BrC1=CC(OC2=CC(Br)=C(Br)C(Br)=C2)=CC(Br)=C1,InChI=1S/C12H5Br5O/c13-6-1-7(14)3-8(2-6)18-9-4-10(15)12(17)11(16)5-9/h1-5H,C12H5Br5O,559.62573
2057,"1,2,3,5-Tetrabromo-4-(2,4-dibromophenoxy)benzene",446254-96-2,DTXSID30785353,71361689,"1,2,3,5-Tetrabromo-4-(2,4-dibromophenoxy)benzene",YESDYWNWEVPOLZ-UHFFFAOYSA-N,"1,2,3,5-Tetrabromo-4-(2,4-dibromophenoxy)benzene",BrC1=CC(Br)=C(OC2=C(Br)C(Br)=C(Br)C=C2Br)C=C1,InChI=1S/C12H4Br6O/c13-5-1-2-9(6(14)3-5)19-12-8(16)4-7(15)10(17)11(12)18/h1-4H,C12H4Br6O,637.536243
2059,BDE-144,446255-00-1,DTXSID70879947,86208455,BDE-144,ZMSJCQOCTPYCQP-UHFFFAOYSA-N,"1,2,3,5-Tetrabromo-4-(2,5-dibromophenoxy)benzene",BrC1=CC(OC2=C(Br)C=C(Br)C(Br)=C2Br)=C(Br)C=C1,InChI=1S/C12H4Br6O/c13-5-1-2-6(14)9(3-5)19-12-8(16)4-7(15)10(17)11(12)18/h1-4H,C12H4Br6O,637.536243
2063,BDE-167,446255-17-0,DTXSID10879966,73555749,BDE-167,NMUPLZRHSXJCJQ-UHFFFAOYSA-N,"1,2,3-Tribromo-5-(2,4,5-tribromophenoxy)benzene",BrC1=CC(OC2=CC(Br)=C(Br)C=C2Br)=CC(Br)=C1Br,InChI=1S/C12H4Br6O/c13-6-3-8(15)11(4-7(6)14)19-5-1-9(16)12(18)10(17)2-5/h1-4H,C12H4Br6O,637.536243
2064,BDE-171,446255-19-2,DTXSID80873971,86208472,BDE-171,FRMMMROUUPQUMZ-UHFFFAOYSA-N,"1,2,3,5-Tetrabromo-4-(2,3,4-tribromophenoxy)benzene",BrC1=CC(Br)=C(OC2=C(Br)C(Br)=C(Br)C=C2)C(Br)=C1Br,InChI=1S/C12H3Br7O/c13-4-1-2-7(10(18)8(4)16)20-12-6(15)3-5(14)9(17)11(12)19/h1-3H,C12H3Br7O,715.446756
2066,"2,3,3',4,4',5',6-Heptabromodiphenyl ether",446255-30-7,DTXSID10704805,53485723,"2,3,3',4,4',5',6-Heptabromodiphenyl ether",BNBFKFHSIPERIM-UHFFFAOYSA-N,"1,2,3,5-Tetrabromo-4-(3,4,5-tribromophenoxy)benzene",BrC1=CC(OC2=C(Br)C(Br)=C(Br)C=C2Br)=CC(Br)=C1Br,InChI=1S/C12H3Br7O/c13-5-1-4(2-6(14)9(5)17)20-12-8(16)3-7(15)10(18)11(12)19/h1-3H,C12H3Br7O,715.446756
2067,"2,2?,3,3?,4,4?,5,6?-octabromodiphenyl ether",446255-39-6,DTXSID3074789,71363036,"2,2′,3,3′,4,4′,5,6′-octabromodiphenyl ether",IEWFKOVTVJNWFF-UHFFFAOYSA-N,"1,2,3,4-Tetrabromo-5-(2,3,4,6-tetrabromophenoxy)benzene",BrC1=CC(Br)=C(OC2=CC(Br)=C(Br)C(Br)=C2Br)C(Br)=C1Br,InChI=1S/C12H2Br8O/c13-3-1-5(15)12(11(20)8(3)17)21-6-2-4(14)7(16)10(19)9(6)18/h1-2H,C12H2Br8O,793.357269
2068,BDE-198,446255-42-1,DTXSID30879988,72941819,BDE-198,IBKRHVDFFHQOSC-UHFFFAOYSA-N,"1,2,3,4,5-Pentabromo-6-(2,3,5-tribromophenoxy)benzene",BrC1=CC(Br)=C(Br)C(OC2=C(Br)C(Br)=C(Br)C(Br)=C2Br)=C1,InChI=1S/C12H2Br8O/c13-3-1-4(14)6(15)5(2-3)21-12-10(19)8(17)7(16)9(18)11(12)20/h1-2H,C12H2Br8O,793.357269
2069,BDE-201,446255-50-1,DTXSID90879984,72941822,BDE-201,HQWFMMKREWXIGN-UHFFFAOYSA-N,"1,2,3,5-Tetrabromo-4-(2,3,5,6-tetrabromophenoxy)benzene",BrC1=CC(Br)=C(OC2=C(Br)C(Br)=CC(Br)=C2Br)C(Br)=C1Br,InChI=1S/C12H2Br8O/c13-3-2-6(16)11(10(20)7(3)17)21-12-8(18)4(14)1-5(15)9(12)19/h1-2H,C12H2Br8O,793.357269
2070,"2,2',3,4,4',5,6,6'-Octabromodiphenyl ether",446255-54-5,DTXSID00196255,53485722,"2,2',3,4,4',5,6,6'-Octabromodiphenyl ether",YZABCBOJTHQTSX-UHFFFAOYSA-N,"1,2,3,4,5-Pentabromo-6-(2,4,6-tribromophenoxy)benzene",BrC1=CC(Br)=C(OC2=C(Br)C(Br)=C(Br)C(Br)=C2Br)C(Br)=C1,InChI=1S/C12H2Br8O/c13-3-1-4(14)11(5(15)2-3)21-12-9(19)7(17)6(16)8(18)10(12)20/h1-2H,C12H2Br8O,793.357269
2071,PBDE 205,446255-56-7,DTXSID4074776,16212145,"2,3,3',4,4',5,5',6-Octabromodiphenyl ether",CVMKCYDBEYHNBM-UHFFFAOYSA-N,"1,2,3,4,5-Pentabromo-6-(3,4,5-tribromophenoxy)benzene",BrC1=CC(OC2=C(Br)C(Br)=C(Br)C(Br)=C2Br)=CC(Br)=C1Br,InChI=1S/C12H2Br8O/c13-4-1-3(2-5(14)6(4)15)21-12-10(19)8(17)7(16)9(18)11(12)20/h1-2H,C12H2Br8O,793.357269
2072,"Furan, 2-butyl-",4466-24-4,DTXSID8073340,20534,"Furan, 2-butyl-",NWZIYQNUCXUJJJ-UHFFFAOYSA-N,2-Butylfuran,CCCCC1=CC=CO1,"InChI=1S/C8H12O/c1-2-3-5-8-6-4-7-9-8/h4,6-7H,2-3,5H2,1H3",C8H12O,124.088815
2073,"1,2-Dihydronaphthalene",447-53-0,DTXSID30858713,9938,"1,2-Dihydronaphthalene",KEIFWROAQVVDBN-UHFFFAOYSA-N,"1,2-Dihydronaphthalene",C1CC2=C(C=C1)C=CC=C2,"InChI=1S/C10H10/c1-2-6-10-8-4-3-7-9(10)5-1/h1-3,5-7H,4,8H2",C10H10,130.0782503
2074,"Azelaic acid, cyclic ethylene ester",4471-27-6,DTXSID70196282,199588,"Azelaic acid, cyclic ethylene ester",QABJRPWOBYCMBO-UHFFFAOYSA-N,"1,4-Dioxacyclotridecane-5,13-dione",O=C1CCCCCCCC(=O)OCCO1,InChI=1S/C11H18O4/c12-10-6-4-2-1-3-5-7-11(13)15-9-8-14-10/h1-9H2,C11H18O4,214.1205091
2075,"1,2-Dihydro-1,1,2-trimethylnaphthalene (ACI)",4478-55-1,,71407484,"1,2-Dihydro-1,1,2-trimethylnaphthalene (ACI)",LNTKBBRCAIFQLG-UHFFFAOYSA-N,"1,1,2-trimethyl-2H-naphthalene",C=1C=CC2=C(C1)C=CC(C)C2(C)C,"InChI=1S/C13H16/c1-10-8-9-11-6-4-5-7-12(11)13(10,2)3/h4-10H,1-3H3",C13H16,172.125
2076,di-sec-butyl phthalate,4489-61-6,DTXSID80290301,249496,di-sec-butyl phthalate,HAPGVMADJBQOGC-UHFFFAOYSA-N,"Dibutan-2-yl benzene-1,2-dicarboxylate",CCC(C)OC(=O)C1=CC=CC=C1C(=O)OC(C)CC,"InChI=1S/C16H22O4/c1-5-11(3)19-15(17)13-9-7-8-10-14(13)16(18)20-12(4)6-2/h7-12H,5-6H2,1-4H3",C16H22O4,278.1518092
2077,"N-Phenyl-4-(1,1,3,3-tetramethylbutyl)benzenamine (ACI)",4496-45-1,,117942,"N-Phenyl-4-(1,1,3,3-tetramethylbutyl)benzenamine (ACI)",OSFOTMWFXQGWKZ-UHFFFAOYSA-N,"N-phenyl-4-(2,4,4-trimethylpentan-2-yl)aniline",C=1C=CC(=CC1)NC2=CC=C(C=C2)C(C)(C)CC(C)(C)C,"InChI=1S/C20H27N/c1-19(2,3)15-20(4,5)16-11-13-18(14-12-16)21-17-9-7-6-8-10-17/h6-14,21H,15H2,1-5H3",C20H27N,281.214
2078,"2,3,4,5-Tetrabromophenol (ACI)",4526-58-3,,13643138,"2,3,4,5-Tetrabromophenol (ACI)",KXZRECGEDVBJPM-UHFFFAOYSA-N,"2,3,4,5-tetrabromophenol",BrC=1C=C(O)C(Br)=C(Br)C1Br,"InChI=1S/C6H2Br4O/c7-2-1-3(11)5(9)6(10)4(2)8/h1,11H",C6H2Br4O,405.684
2079,"Tetradecanamide, N-[3-(dimethylamino)propyl]-",45267-19-4,DTXSID2068470,170759,"Tetradecanamide, N-[3-(dimethylamino)propyl]-",IFYDWYVPVAMGRO-UHFFFAOYSA-N,N-[3-(Dimethylamino)propyl]tetradecanamide,CCCCCCCCCCCCCC(=O)NCCCN(C)C,"InChI=1S/C19H40N2O/c1-4-5-6-7-8-9-10-11-12-13-14-16-19(22)20-17-15-18-21(2)3/h4-18H2,1-3H3,(H,20,22)",C19H40N2O,312.3140639
2080,Perfluorooctanoate,45285-51-6,DTXSID40892486,4986139,Perfluorooctanoate,SNGREZUHAYWORS-UHFFFAOYSA-M,Pentadecafluorooctanoate,[O-]C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1S/C8HF15O2/c9-2(10,1(24)25)3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)23/h(H,24,25)/p-1",C8F15O2,412.9664253
2081,Palmitylstearylamine,45310-14-3,DTXSID40196471,170763,Palmitylstearylamine,YPMXMXFOJOBIKQ-UHFFFAOYSA-N,N-Hexadecyloctadecan-1-amine,CCCCCCCCCCCCCCCCCCNCCCCCCCCCCCCCCCC,"InChI=1S/C34H71N/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h35H,3-34H2,1-2H3",C34H71N,493.5586513
2082,"BENZENE, (1-PENTYLOCTYL)-",4534-49-0,DTXSID30875203,20632,"BENZENE, (1-PENTYLOCTYL)-",OTSYFFDVDLHIKX-UHFFFAOYSA-N,(Tridecan-6-yl)benzene,CCCCCCCC(CCCCC)C1=CC=CC=C1,"InChI=1S/C19H32/c1-3-5-7-8-11-15-18(14-10-6-4-2)19-16-12-9-13-17-19/h9,12-13,16-18H,3-8,10-11,14-15H2,1-2H3",C19H32,260.250401
2083,"BENZENE, (1-BUTYLNONYL)-",4534-50-3,DTXSID90875204,20633,"BENZENE, (1-BUTYLNONYL)-",MZTIRLOLMGVVEK-UHFFFAOYSA-N,(Tridecan-5-yl)benzene,CCCCCCCCC(CCCC)C1=CC=CC=C1,"InChI=1S/C19H32/c1-3-5-7-8-9-11-15-18(14-6-4-2)19-16-12-10-13-17-19/h10,12-13,16-18H,3-9,11,14-15H2,1-2H3",C19H32,260.250401
2084,"BENZENE, (1-PROPYLDECYL)-",4534-51-4,DTXSID70875202,20634,"BENZENE, (1-PROPYLDECYL)-",RZGVZPAWCGDMCK-UHFFFAOYSA-N,(Tridecan-4-yl)benzene,CCCCCCCCCC(CCC)C1=CC=CC=C1,"InChI=1S/C19H32/c1-3-5-6-7-8-9-11-15-18(14-4-2)19-16-12-10-13-17-19/h10,12-13,16-18H,3-9,11,14-15H2,1-2H3",C19H32,260.250401
2085,"BENZENE, (1-ETHYLUNDECYL)-",4534-52-5,DTXSID10875201,20635,"BENZENE, (1-ETHYLUNDECYL)-",VZZMNLVGDGMQQV-UHFFFAOYSA-N,(Tridecan-3-yl)benzene,CCCCCCCCCCC(CC)C1=CC=CC=C1,"InChI=1S/C19H32/c1-3-5-6-7-8-9-10-12-15-18(4-2)19-16-13-11-14-17-19/h11,13-14,16-18H,3-10,12,15H2,1-2H3",C19H32,260.250401
2086,(Tridecan-2-yl)benzene,4534-53-6,DTXSID20863412,20636,(Tridecan-2-yl)benzene,FCXPVFLEDIQLLO-UHFFFAOYSA-N,(Tridecan-2-yl)benzene,CCCCCCCCCCCC(C)C1=CC=CC=C1,"InChI=1S/C19H32/c1-3-4-5-6-7-8-9-10-12-15-18(2)19-16-13-11-14-17-19/h11,13-14,16-18H,3-10,12,15H2,1-2H3",C19H32,260.250401
2087,(Tetradecan-7-yl)benzene,4534-54-7,DTXSID00963368,20637,(Tetradecan-7-yl)benzene,ALMICIFPGWBKNR-UHFFFAOYSA-N,(Tetradecan-7-yl)benzene,CCCCCCCC(CCCCCC)C1=CC=CC=C1,"InChI=1S/C20H34/c1-3-5-7-9-12-16-19(15-11-8-6-4-2)20-17-13-10-14-18-20/h10,13-14,17-19H,3-9,11-12,15-16H2,1-2H3",C20H34,274.2660511
2088,(Tetradecan-2-yl)benzene,4534-59-2,DTXSID80863413,20642,(Tetradecan-2-yl)benzene,GDFUGKICRHMMOT-UHFFFAOYSA-N,(Tetradecan-2-yl)benzene,CCCCCCCCCCCCC(C)C1=CC=CC=C1,"InChI=1S/C20H34/c1-3-4-5-6-7-8-9-10-11-13-16-19(2)20-17-14-12-15-18-20/h12,14-15,17-19H,3-11,13,16H2,1-2H3",C20H34,274.2660511
2089,2-(Dodecyloxy)ethanol,4536-30-5,DTXSID8044676,24750,2-(Dodecyloxy)ethanol,SFNALCNOMXIBKG-UHFFFAOYSA-N,2-(Dodecyloxy)ethan-1-ol,CCCCCCCCCCCCOCCO,"InChI=1S/C14H30O2/c1-2-3-4-5-6-7-8-9-10-11-13-16-14-12-15/h15H,2-14H2,1H3",C14H30O2,230.2245802
2090,"BENZENE, (1-PROPYLOCTYL)-",4536-86-1,DTXSID80874983,20654,"BENZENE, (1-PROPYLOCTYL)-",NSQAXMRLBNXEHK-UHFFFAOYSA-N,(Undecan-4-yl)benzene,CCCCCCCC(CCC)C1=CC=CC=C1,"InChI=1S/C17H28/c1-3-5-6-7-9-13-16(12-4-2)17-14-10-8-11-15-17/h8,10-11,14-16H,3-7,9,12-13H2,1-2H3",C17H28,232.2191009
2091,"BENZENE, (1-ETHYLNONYL)-",4536-87-2,DTXSID20874982,20655,"BENZENE, (1-ETHYLNONYL)-",NVHBFHMWJJMQTG-UHFFFAOYSA-N,(Undecan-3-yl)benzene,CCCCCCCCC(CC)C1=CC=CC=C1,"InChI=1S/C17H28/c1-3-5-6-7-8-10-13-16(4-2)17-14-11-9-12-15-17/h9,11-12,14-16H,3-8,10,13H2,1-2H3",C17H28,232.2191009
2092,"BENZENE, (1-METHYLDECYL)-",4536-88-3,DTXSID60874981,20656,"BENZENE, (1-METHYLDECYL)-",YHJBCRBYDBNEIK-UHFFFAOYSA-N,(Undecan-2-yl)benzene,CCCCCCCCCC(C)C1=CC=CC=C1,"InChI=1S/C17H28/c1-3-4-5-6-7-8-10-13-16(2)17-14-11-9-12-15-17/h9,11-12,14-16H,3-8,10,13H2,1-2H3",C17H28,232.2191009
2093,"BENZENE, (1-BUTYLHEXYL)-",4537-11-5,DTXSID90874873,20657,"BENZENE, (1-BUTYLHEXYL)-",CDOBABYRHNVZQG-UHFFFAOYSA-N,(Decan-5-yl)benzene,CCCCCC(CCCC)C1=CC=CC=C1,"InChI=1S/C16H26/c1-3-5-8-12-15(11-6-4-2)16-13-9-7-10-14-16/h7,9-10,13-15H,3-6,8,11-12H2,1-2H3",C16H26,218.2034508
2094,"BENZENE, (1-PROPYLHEPTYL)-",4537-12-6,DTXSID30874872,20658,"BENZENE, (1-PROPYLHEPTYL)-",QTDBKYLPIZUTFN-UHFFFAOYSA-N,(Decan-4-yl)benzene,CCCCCCC(CCC)C1=CC=CC=C1,"InChI=1S/C16H26/c1-3-5-6-8-12-15(11-4-2)16-13-9-7-10-14-16/h7,9-10,13-15H,3-6,8,11-12H2,1-2H3",C16H26,218.2034508
2095,"BENZENE, (1-METHYLNONYL)-",4537-13-7,DTXSID10874870,20659,"BENZENE, (1-METHYLNONYL)-",DDTJIQUCOLHYDL-UHFFFAOYSA-N,(Decan-2-yl)benzene,CCCCCCCCC(C)C1=CC=CC=C1,"InChI=1S/C16H26/c1-3-4-5-6-7-9-12-15(2)16-13-10-8-11-14-16/h8,10-11,13-15H,3-7,9,12H2,1-2H3",C16H26,218.2034508
2096,6-Phenylundecane,4537-14-8,DTXSID5075446,20660,6-Phenylundecane,WCABIRIFXVXGQH-UHFFFAOYSA-N,(Undecan-6-yl)benzene,CCCCCC(CCCCC)C1=CC=CC=C1,"InChI=1S/C17H28/c1-3-5-8-12-16(13-9-6-4-2)17-14-10-7-11-15-17/h7,10-11,14-16H,3-6,8-9,12-13H2,1-2H3",C17H28,232.2191009
2097,"BENZENE, (1-BUTYLHEPTYL)-",4537-15-9,DTXSID40874984,20661,"BENZENE, (1-BUTYLHEPTYL)-",RRPCXIBGXYGQNC-UHFFFAOYSA-N,(Undecan-5-yl)benzene,CCCCCCC(CCCC)C1=CC=CC=C1,"InChI=1S/C17H28/c1-3-5-7-9-13-16(12-6-4-2)17-14-10-8-11-15-17/h8,10-11,14-16H,3-7,9,12-13H2,1-2H3",C17H28,232.2191009
2098,Didodecyl ether,4542-57-8,DTXSID5051494,20667,Didodecyl ether,CMCBDXRRFKYBDG-UHFFFAOYSA-N,1-(Dodecyloxy)dodecane,CCCCCCCCCCCCOCCCCCCCCCCCC,"InChI=1S/C24H50O/c1-3-5-7-9-11-13-15-17-19-21-23-25-24-22-20-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3",C24H50O,354.3861662
2099,2-Dodecylbutanedioic acid,455-95-8,DTXSID30963396,62822,2-Dodecylbutanedioic acid,YLAXZGYLWOGCBF-UHFFFAOYSA-N,2-Dodecylbutanedioic acid,CCCCCCCCCCCCC(CC(O)=O)C(O)=O,"InChI=1S/C16H30O4/c1-2-3-4-5-6-7-8-9-10-11-12-14(16(19)20)13-15(17)18/h14H,2-13H2,1H3,(H,17,18)(H,19,20)",C16H30O4,286.2144094
2100,"Benzoic acid, 4-hydroxy-, ion(1-)",456-23-5,DTXSID10196564,54675830,"Benzoic acid, 4-hydroxy-, ion(1-)",FJKROLUGYXJWQN-UHFFFAOYSA-M,4-Carboxyphenolate,OC(=O)C1=CC=C([O-])C=C1,"InChI=1S/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10)/p-1",C7H5O3,137.0244176
2101,"2-Cyclohexene-1,4-diol",45620-68-6,DTXSID90338728,550825,"2-Cyclohexene-1,4-diol",FDODVZVWGKVMBO-UHFFFAOYSA-N,"Cyclohex-2-ene-1,4-diol",OC1CCC(O)C=C1,"InChI=1S/C6H10O2/c7-5-1-2-6(8)4-3-5/h1-2,5-8H,3-4H2",C6H10O2,114.0680796
2102,"Benzo(b)naphtho(2,1-d)thiophene, 3-methyl-",4567-45-7,DTXSID50196583,165249,"Benzo(b)naphtho(2,1-d)thiophene, 3-methyl-",JESYLDJZJBANHW-UHFFFAOYSA-N,"3-Methylbenzo[b]naphtho[2,1-d]thiophene",CC1=CC2=C(C=C1)C1=C(C=C2)C2=CC=CC=C2S1,"InChI=1S/C17H12S/c1-11-6-8-13-12(10-11)7-9-15-14-4-2-3-5-16(14)18-17(13)15/h2-10H,1H3",C17H12S,248.0659716
2103,"Benzo(b)naphtho(2,1-d)thiophene, 5-methyl-",4567-49-1,DTXSID70196585,165251,"Benzo(b)naphtho(2,1-d)thiophene, 5-methyl-",LCIWJCAUAOQCDL-UHFFFAOYSA-N,"5-Methylbenzo[b]naphtho[2,1-d]thiophene",CC1=CC2=C(SC3=CC=CC=C23)C2=CC=CC=C12,"InChI=1S/C17H12S/c1-11-10-15-13-7-4-5-9-16(13)18-17(15)14-8-3-2-6-12(11)14/h2-10H,1H3",C17H12S,248.0659716
2104,"9H-Fluorene, 9,9-dimethyl-",4569-45-3,DTXSID40196597,78325,"9H-Fluorene, 9,9-dimethyl-",ZHQNDEHZACHHTA-UHFFFAOYSA-N,"9,9-Dimethyl-9H-fluorene",CC1(C)C2=CC=CC=C2C2=CC=CC=C12,"InChI=1S/C15H14/c1-15(2)13-9-5-3-7-11(13)12-8-4-6-10-14(12)15/h3-10H,1-2H3",C15H14,194.1095505
2105,DAQ,4584-63-8,DTXSID90196628,97456,DAQ,DHXFOYLEDAOQRR-UHFFFAOYSA-N,"2,5-Bis(2-methylbutan-2-yl)cyclohexa-2,5-diene-1,4-dione",CCC(C)(C)C1=CC(=O)C(=CC1=O)C(C)(C)CC,"InChI=1S/C16H24O2/c1-7-15(3,4)11-9-14(18)12(10-13(11)17)16(5,6)8-2/h9-10H,7-8H2,1-6H3",C16H24O2,248.17763
2106,Ethyl fluoroacetate,459-72-3,DTXSID8060034,9988,Ethyl fluoroacetate,VCYZVXRKYPKDQB-UHFFFAOYSA-N,Ethyl fluoroacetate,CCOC(=O)CF,"InChI=1S/C4H7FO2/c1-2-7-4(6)3-5/h2-3H2,1H3",C4H7FO2,106.0430076
2107,1-Chloro-2-fluoroethene,460-16-2,DTXSID30861944,68026,1-Chloro-2-fluoroethene,MTKHTBWXSHYCGS-UHFFFAOYSA-N,1-Chloro-2-fluoroethene,FC=CCl,InChI=1S/C2H2ClF/c3-1-2-4/h1-2H,C2H2ClF,79.9829059
2108,Farnesol,4602-84-0,DTXSID3032389,3327,Farnesol,CRDAMVZIKSXKFV-UHFFFAOYSA-N,"3,7,11-Trimethyldodeca-2,6,10-trien-1-ol",CC(C)=CCCC(C)=CCCC(C)=CCO,"InChI=1S/C15H26O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9,11,16H,5-6,8,10,12H2,1-4H3",C15H26O,222.1983655
2109,"2,3-Dimethylfluorene",4612-63-9,DTXSID20196732,20734,"2,3-Dimethylfluorene",WZKBKKCKPZMGHV-UHFFFAOYSA-N,"2,3-Dimethyl-9H-fluorene",CC1=CC2=C(C=C1C)C1=CC=CC=C1C2,"InChI=1S/C15H14/c1-10-7-13-9-12-5-3-4-6-14(12)15(13)8-11(10)2/h3-8H,9H2,1-2H3",C15H14,194.1095505
2110,"BENZENE, (1-ETHYLOCTYL)-",4621-36-7,DTXSID70874871,20740,"BENZENE, (1-ETHYLOCTYL)-",PYVIFMPVFLOTLN-UHFFFAOYSA-N,(Decan-3-yl)benzene,CCCCCCCC(CC)C1=CC=CC=C1,"InChI=1S/C16H26/c1-3-5-6-7-9-12-15(4-2)16-13-10-8-11-14-16/h8,10-11,13-15H,3-7,9,12H2,1-2H3",C16H26,218.2034508
2111,Bis(4-tert-butylphenyl)amine,4627-22-9,DTXSID70332547,458684,Bis(4-tert-butylphenyl)amine,OPEKHRGERHDLRK-UHFFFAOYSA-N,4-tert-Butyl-N-(4-tert-butylphenyl)aniline,CC(C)(C)C1=CC=C(NC2=CC=C(C=C2)C(C)(C)C)C=C1,"InChI=1S/C20H27N/c1-19(2,3)15-7-11-17(12-8-15)21-18-13-9-16(10-14-18)20(4,5)6/h7-14,21H,1-6H3",C20H27N,281.2143499
2112,"Phosphonic acid, propyl-, dibutyl ester",4628-12-0,DTXSID70196782,99440,"Phosphonic acid, propyl-, dibutyl ester",XCUMIEFHVASVMQ-UHFFFAOYSA-N,Dibutyl propylphosphonate,CCCCOP(=O)(CCC)OCCCC,"InChI=1S/C11H25O3P/c1-4-7-9-13-15(12,11-6-3)14-10-8-5-2/h4-11H2,1-3H3",C11H25O3P,236.1541317
2113,Linolenic acid,463-40-1,DTXSID7025506,5280934,Linolenic acid,DTOSIQBPPRVQHS-PDBXOOCHSA-N,"(9Z,12Z,15Z)-Octadeca-9,12,15-trienoic acid",CC\C=C/C\C=C/C\C=C/CCCCCCCC(O)=O,"InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)/b4-3-,7-6-,10-9-",C18H30O2,278.2245802
2114,D-Camphor,464-49-3,DTXSID4024721,159055,D-Camphor,DSSYKIVIOFKYAU-XCBNKYQSSA-N,"(1R,4R)-1,7,7-Trimethylbicyclo[2.2.1]heptan-2-one",CC1(C)[C@@H]2CC[C@@]1(C)C(=O)C2,"InChI=1S/C10H16O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7H,4-6H2,1-3H3/t7-,10+/m1/s1",C10H16O,152.1201151
2115,"1,3-Dibromo-5-phenoxybenzene",46438-88-4,DTXSID60591606,17921073,"1,3-Dibromo-5-phenoxybenzene",FOXBZJLXVUHYQZ-UHFFFAOYSA-N,"1,3-Dibromo-5-phenoxybenzene",BrC1=CC(OC2=CC=CC=C2)=CC(Br)=C1,InChI=1S/C12H8Br2O/c13-9-6-10(14)8-12(7-9)15-11-4-2-1-3-5-11/h1-8H,C12H8Br2O,325.894191
2116,"1,1'-Oxybis(cyclohexane)",4645-15-2,DTXSID70196843,20757,"1,1'-Oxybis(cyclohexane)",OCDXZFSOHJRGIL-UHFFFAOYSA-N,"1,1'-Oxydicyclohexane",C1CCC(CC1)OC1CCCCC1,"InChI=1S/C12H22O/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h11-12H,1-10H2",C12H22O,182.1670653
2117,Dioctyl terephthalate,4654-26-6,DTXSID3021699,62546,Dioctyl terephthalate,OEIWPNWSDYFMIL-UHFFFAOYSA-N,"Dioctyl benzene-1,4-dicarboxylate",CCCCCCCCOC(=O)C1=CC=C(C=C1)C(=O)OCCCCCCCC,"InChI=1S/C24H38O4/c1-3-5-7-9-11-13-19-27-23(25)21-15-17-22(18-16-21)24(26)28-20-14-12-10-8-6-4-2/h15-18H,3-14,19-20H2,1-2H3",C24H38O4,390.2770097
2118,cis-thujopsene,470-40-6,DTXSID50881245,11401461,cis-thujopsene,WXQGPFZDVCRBME-BPLDGKMQSA-N,"(1aR,4aR,8aR)-2,4a,8,8-Tetramethyl-1,1a,4,4a,5,6,7,8-octahydrocyclopropa[d]naphthalene",CC1=CC[C@@]2(C)CCCC(C)(C)[C@]22C[C@H]12,"InChI=1S/C15H24/c1-11-6-9-14(4)8-5-7-13(2,3)15(14)10-12(11)15/h6,12H,5,7-10H2,1-4H3/t12-,14-,15-/m1/s1",C15H24,204.1878008
2119,"1,4-Cineole",470-67-7,DTXSID3047396,,"1,4-Cineole",RFFOTVCVTJUTAD-AOOOYVTPNA-N,"(1s,4s)-1-Methyl-4-(propan-2-yl)-7-oxabicyclo[2.2.1]heptane",CC(C)[C@]12CC[C@](C)(CC1)O2,"InChI=1S/C10H18O/c1-8(2)10-6-4-9(3,11-10)5-7-10/h8H,4-7H2,1-3H3/t9-,10+",C10H18O,154.1357652
2120,"1,8-Cineol",470-82-6,DTXSID4020616,2758,"1,8-Cineol",WEEGYLXZBRQIMU-UHFFFAOYSA-N,"1,3,3-Trimethyl-2-oxabicyclo[2.2.2]octane",CC12CCC(CC1)C(C)(C)O2,"InChI=1S/C10H18O/c1-9(2)8-4-6-10(3,11-9)7-5-8/h8H,4-7H2,1-3H3",C10H18O,154.1357652
2121,Vinyl decanoate,4704-31-8,DTXSID40197009,62140,Vinyl decanoate,CMDXMIHZUJPRHG-UHFFFAOYSA-N,Ethenyl decanoate,CCCCCCCCCC(=O)OC=C,"InChI=1S/C12H22O2/c1-3-5-6-7-8-9-10-11-12(13)14-4-2/h4H,2-3,5-11H2,1H3",C12H22O2,198.1619799
2122,"1,3-Dimethyl-5-isopropylbenzene",4706-90-5,DTXSID6063567,20833,"1,3-Dimethyl-5-isopropylbenzene",RMKJTYPFCFNTGQ-UHFFFAOYSA-N,"1,3-Dimethyl-5-(propan-2-yl)benzene",CC(C)C1=CC(C)=CC(C)=C1,"InChI=1S/C11H16/c1-8(2)11-6-9(3)5-10(4)7-11/h5-8H,1-4H3",C11H16,148.1252005
2123,Methyl 3-methylorsellinate,4707-47-5,DTXSID9041653,78435,Methyl 3-methylorsellinate,UUQHKWMIDYRWHH-UHFFFAOYSA-N,"Methyl 2,4-dihydroxy-3,6-dimethylbenzoate",COC(=O)C1=C(O)C(C)=C(O)C=C1C,"InChI=1S/C10H12O4/c1-5-4-7(11)6(2)9(12)8(5)10(13)14-3/h4,11-12H,1-3H3",C10H12O4,196.0735589
2124,Calcium carbonate,471-34-1,DTXSID3036238,516889,Calcium carbonate,VTYYLEPIZMXCLO-UHFFFAOYSA-L,Calcium carbonate,[Ca++].[O-]C([O-])=O,"InChI=1S/CH2O3.Ca/c2-1(3)4;/h(H2,2,3,4);/q;+2/p-2",CCaO3,99.9473348
2125,Neoabietic acid,471-77-2,DTXSID8022038,221118,Neoabietic acid,KGMSWPSAVZAMKR-ONCXSQPRSA-N,"Abieta-8(14),13(15)-dien-18-oic acid",CC(C)=C1CC[C@H]2C(CC[C@@H]3[C@]2(C)CCC[C@@]3(C)C(O)=O)=C1,"InChI=1S/C20H30O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h12,16-17H,5-11H2,1-4H3,(H,21,22)/t16-,17+,19+,20+/m0/s1",C20H30O2,302.2245802
2126,"1-Cyclohexene-1-ethanol, 2,6,6-trimethyl-",472-65-1,DTXSID00343848,592706,"1-Cyclohexene-1-ethanol, 2,6,6-trimethyl-",JGJFZOVBBGQGOM-UHFFFAOYSA-N,"2-(2,6,6-Trimethylcyclohex-1-en-1-yl)ethan-1-ol",CC1=C(CCO)C(C)(C)CCC1,"InChI=1S/C11H20O/c1-9-5-4-7-11(2,3)10(9)6-8-12/h12H,4-8H2,1-3H3",C11H20O,168.1514153
2127,beta-Homocyclocitral,472-66-2,DTXSID0047088,61124,beta-Homocyclocitral,VHTFHZGAMYUZEP-UHFFFAOYSA-N,"(2,6,6-Trimethylcyclohex-1-en-1-yl)acetaldehyde",CC1=C(CC=O)C(C)(C)CCC1,"InChI=1S/C11H18O/c1-9-5-4-7-11(2,3)10(9)6-8-12/h8H,4-7H2,1-3H3",C11H18O,166.1357652
2128,Adipimide,4726-93-6,DTXSID70197077,20849,Adipimide,OSNDUYDDOHEKEE-UHFFFAOYSA-N,"Azepane-2,7-dione",O=C1CCCCC(=O)N1,"InChI=1S/C6H9NO2/c8-5-3-1-2-4-6(9)7-5/h1-4H2,(H,7,8,9)",C6H9NO2,127.0633285
2129,alpha-Cyperone,473-08-5,DTXSID60197086,6452086,(+)-alpha-Cyperone,KUFXJZXMWHNCEH-DOMZBBRYSA-N,"(4aS,7R)-1,4a-Dimethyl-7-(prop-1-en-2-yl)-4,4a,5,6,7,8-hexahydronaphthalen-2(3H)-one",CC(=C)[C@@H]1CC[C@@]2(C)CCC(=O)C(C)=C2C1,"InChI=1S/C15H22O/c1-10(2)12-5-7-15(4)8-6-14(16)11(3)13(15)9-12/h12H,1,5-9H2,2-4H3/t12-,15+/m1/s1",C15H22O,218.1670653
2130,n-Heptyl isocyanate,4747-81-3,DTXSID10197152,138341,n-Heptyl isocyanate,RFXBSYPBSRSQDU-UHFFFAOYSA-N,1-Isocyanatoheptane,CCCCCCCN=C=O,"InChI=1S/C8H15NO/c1-2-3-4-5-6-7-9-8-10/h2-7H2,1H3",C8H15NO,141.1153641
2131,4-Ethylbenzaldehyde,4748-78-1,DTXSID0047080,20861,4-Ethylbenzaldehyde,QNGNSVIICDLXHT-UHFFFAOYSA-N,4-Ethylbenzaldehyde,CCC1=CC=C(C=O)C=C1,"InChI=1S/C9H10O/c1-2-8-3-5-9(7-10)6-4-8/h3-7H,2H2,1H3",C9H10O,134.0731649
2132,"1,2,3,4-Tetrahydro-1,1,6-trimethylnaphthalene",475-03-6,DTXSID0052120,68057,"1,2,3,4-Tetrahydro-1,1,6-trimethylnaphthalene",LTMQZVLXCLQPCT-UHFFFAOYSA-N,"1,1,6-Trimethyl-1,2,3,4-tetrahydronaphthalene",CC1=CC=C2C(CCCC2(C)C)=C1,"InChI=1S/C13H18/c1-10-6-7-12-11(9-10)5-4-8-13(12,2)3/h6-7,9H,4-5,8H2,1-3H3",C13H18,174.1408506
2133,Longifolene,475-20-7,DTXSID9047045,1796220,Longifolene,PDSNLYSELAIEBU-GUIRCDHDSA-N,"(1S,3aR,4S,8aS)-4,8,8-Trimethyl-9-methylidenedecahydro-1,4-methanoazulene",C[C@]12CCCC(C)(C)[C@H]3[C@H](CC[C@@H]13)C2=C,"InChI=1S/C15H24/c1-10-11-6-7-12-13(11)14(2,3)8-5-9-15(10,12)4/h11-13H,1,5-9H2,2-4H3/t11-,12-,13+,15-/m1/s1",C15H24,204.1878008
2134,"Benzoic acid, 3,4-dibutoxy-, (3,4-dicyano-2,5-thiophenediyl)bis(2,1-ethynediyl-4,1-phenylene) ester (9CI)",475560-97-5,,5237019,"Benzoic acid, 3,4-dibutoxy-, (3,4-dicyano-2,5-thiophenediyl)bis(2,1-ethynediyl-4,1-phenylene) ester (9CI)",OLHNOSDKLLIGNH-UHFFFAOYSA-N,"[4-[2-[3,4-dicyano-5-[2-[4-(3,4-dibutoxybenzoyl)oxyphenyl]ethynyl]thiophen-2-yl]ethynyl]phenyl] 3,4-dibutoxybenzoate",N#CC1=C(C#CC2=CC=C(OC(=O)C3=CC=C(OCCCC)C(OCCCC)=C3)C=C2)SC(C#CC4=CC=C(OC(=O)C5=CC=C(OCCCC)C(OCCCC)=C5)C=C4)=C1C#N,"InChI=1S/C52H50N2O8S/c1-5-9-29-57-45-25-19-39(33-47(45)59-31-11-7-3)51(55)61-41-21-13-37(14-22-41)17-27-49-43(35-53)44(36-54)50(63-49)28-18-38-15-23-42(24-16-38)62-52(56)40-20-26-46(58-30-10-6-2)48(34-40)60-32-12-8-4/h13-16,19-26,33-34H,5-12,29-32H2,1-4H3",C52H50N2O8S,862.329
2135,21-Hydroxy-12-methylene-9-heneicosenoic acid (ACI),476167-54-1,,,21-Hydroxy-12-methylene-9-heneicosenoic acid (ACI),CKVIYVLBYZYJHN-UHFFFAOYSA-N,,O=C(O)CCCCCCCC=CCC(=C)CCCCCCCCCO,"InChI=1S/C22H40O3/c1-21(18-14-10-6-4-8-12-16-20-23)17-13-9-5-2-3-7-11-15-19-22(24)25/h9,13,23H,1-8,10-12,14-20H2,(H,24,25)",,
2136,Methyl 15-octadecenoate (ACI),4764-72-1,,543383,Methyl 15-octadecenoate (ACI),NQEFHAHNEYBAAD-UHFFFAOYSA-N,methyl octadec-15-enoate,O=C(OC)CCCCCCCCCCCCCC=CCC,"InChI=1S/C19H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h4-5H,3,6-18H2,1-2H3",C19H36O2,296.272
2137,1-Hydroxymethylnaphthalene,4780-79-4,DTXSID30197295,20908,1-Hydroxymethylnaphthalene,PBLNHHSDYFYZNC-UHFFFAOYSA-N,(Naphthalen-1-yl)methanol,OCC1=CC=CC2=CC=CC=C12,"InChI=1S/C11H10O/c12-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7,12H,8H2",C11H10O,158.0731649
2138,9-Oxo-11-(3-pentyloxiran-2-yl)undec-10-enoic acid,478931-82-7,DTXSID60693977,5283007,9-Oxo-11-(3-pentyloxiran-2-yl)undec-10-enoic acid,RCMABBHQYMBYKV-BUHFOSPRSA-N,(10E)-9-Oxo-11-(3-pentyloxiran-2-yl)undec-10-enoic acid,CCCCCC1OC1\C=C\C(=O)CCCCCCCC(O)=O,"InChI=1S/C18H30O4/c1-2-3-7-11-16-17(22-16)14-13-15(19)10-8-5-4-6-9-12-18(20)21/h13-14,16-17H,2-12H2,1H3,(H,20,21)/b14-13+",C18H30O4,310.2144094
2139,Pentaethylene glycol,4792-15-8,DTXSID4027579,62551,Pentaethylene glycol,JLFNLZLINWHATN-UHFFFAOYSA-N,"3,6,9,12-Tetraoxatetradecane-1,14-diol",OCCOCCOCCOCCOCCO,"InChI=1S/C10H22O6/c11-1-3-13-5-7-15-9-10-16-8-6-14-4-2-12/h11-12H,1-10H2",C10H22O6,238.1416384
2140,Cholestane,481-21-0,DTXSID20880725,2723895,5-alpha-Cholestane,XIIAYQZJNBULGD-XWLABEFZSA-N,Cholestane,[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@@]4([H])CCCC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)C,"InChI=1S/C27H48/c1-19(2)9-8-10-20(3)23-14-15-24-22-13-12-21-11-6-7-17-26(21,4)25(22)16-18-27(23,24)5/h19-25H,6-18H2,1-5H3/t20-,21-,22+,23-,24+,25+,26+,27-/m1/s1",C27H48,372.3756015
2141,Chrysophanic acid,481-74-3,DTXSID6024832,10208,Chrysophanic acid,LQGUBLBATBMXHT-UHFFFAOYSA-N,"1,8-Dihydroxy-3-methylanthracene-9,10-dione",CC1=CC(O)=C2C(=O)C3=C(O)C=CC=C3C(=O)C2=C1,"InChI=1S/C15H10O4/c1-7-5-9-13(11(17)6-7)15(19)12-8(14(9)18)3-2-4-10(12)16/h2-6,16-17H,1H3",C15H10O4,254.0579088
2142,"1,3,5-Trimethyl-2-propylbenzene",4810-04-2,DTXSID40881219,521228,"1,3,5-Trimethyl-2-propylbenzene",CDDRKPHVEQMWKP-UHFFFAOYSA-N,"1,3,5-Trimethyl-2-propylbenzene",CCCC1=C(C)C=C(C)C=C1C,"InChI=1S/C12H18/c1-5-6-12-10(3)7-9(2)8-11(12)4/h7-8H,5-6H2,1-4H3",C12H18,162.1408506
2143,2-Phenoxyethyl acrylate,48145-04-6,DTXSID4040715,39485,2-Phenoxyethyl acrylate,RZVINYQDSSQUKO-UHFFFAOYSA-N,2-Phenoxyethyl prop-2-enoate,C=CC(=O)OCCOC1=CC=CC=C1,"InChI=1S/C11H12O3/c1-2-11(12)14-9-8-13-10-6-4-3-5-7-10/h2-7H,1,8-9H2",C11H12O3,192.0786442
2144,2-Pentylcyclopentanone,4819-67-4,DTXSID1044566,20959,2-Pentylcyclopentanone,VNWOJVJCRAHBJJ-UHFFFAOYSA-N,2-Pentylcyclopentan-1-one,CCCCCC1CCCC1=O,"InChI=1S/C10H18O/c1-2-3-4-6-9-7-5-8-10(9)11/h9H,2-8H2,1H3",C10H18O,154.1357652
2145,"carbonic acid, butyl phenyl ester",4824-76-4,DTXSID60880906,564930,"carbonic acid, butyl phenyl ester",CMIUEWSUNAYXCG-UHFFFAOYSA-N,Butyl phenyl carbonate,CCCCOC(=O)OC1=CC=CC=C1,"InChI=1S/C11H14O3/c1-2-3-9-13-11(12)14-10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3",C11H14O3,194.0942943
2146,Retene,483-65-8,DTXSID7058701,10222,Retene,NXLOLUFNDSBYTP-UHFFFAOYSA-N,1-Methyl-7-(propan-2-yl)phenanthrene,CC(C)C1=CC2=C(C=C1)C1=C(C=C2)C(C)=CC=C1,"InChI=1S/C18H18/c1-12(2)14-7-10-17-15(11-14)8-9-16-13(3)5-4-6-18(16)17/h4-12H,1-3H3",C18H18,234.1408506
2147,(+)-d-Cadinene,483-76-1,DTXSID70858792,441005,(+)-d-Cadinene,FUCYIEXQVQJBKY-ZFWWWQNUSA-N,"(1S,8aR)-4,7-Dimethyl-1-(propan-2-yl)-1,2,3,5,6,8a-hexahydronaphthalene",CC(C)[C@@H]1CCC(C)=C2CCC(C)=C[C@@H]12,"InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h9-10,13,15H,5-8H2,1-4H3/t13-,15-/m0/s1",C15H24,204.1878008
2148,"naphthalene, 1,2,3,4-tetrahydro-1,6-dimethyl-4-(1-methylethyl)-, (1s-cis)-",483-77-2,DTXSID40880702,6429077,"naphthalene, 1,2,3,4-tetrahydro-1,6-dimethyl-4-(1-methylethyl)-, (1s-cis)-",PGTJIOWQJWHTJJ-STQMWFEESA-N,"(1S,4S)-1,6-Dimethyl-4-(propan-2-yl)-1,2,3,4-tetrahydronaphthalene",CC(C)[C@@H]1CC[C@H](C)C2=CC=C(C)C=C12,"InChI=1S/C15H22/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5,7,9-10,12-13H,6,8H2,1-4H3/t12-,13-/m0/s1",C15H22,202.1721507
2149,"Phenanthrene, 1,7-dimethyl-",483-87-4,DTXSID1074755,68084,"Phenanthrene, 1,7-dimethyl-",NZCMUISOTIPJAM-UHFFFAOYSA-N,"1,7-Dimethylphenanthrene",CC1=CC=C2C(C=CC3=C(C)C=CC=C23)=C1,"InChI=1S/C16H14/c1-11-6-8-15-13(10-11)7-9-14-12(2)4-3-5-16(14)15/h3-10H,1-2H3",C16H14,206.1095505
2150,1-Chlorohexadecane,4860-03-1,DTXSID3027580,20993,1-Chlorohexadecane,CLWAXFZCVYJLLM-UHFFFAOYSA-N,1-Chlorohexadecane,CCCCCCCCCCCCCCCCCl,"InChI=1S/C16H33Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h2-16H2,1H3",C16H33Cl,260.2270788
2151,"2,4,6-Trimethylbenzaldehyde",487-68-3,DTXSID5052125,10254,"2,4,6-Trimethylbenzaldehyde",HIKRJHFHGKZKRI-UHFFFAOYSA-N,"2,4,6-Trimethylbenzaldehyde",CC1=CC(C)=C(C=O)C(C)=C1,"InChI=1S/C10H12O/c1-7-4-8(2)10(6-11)9(3)5-7/h4-6H,1-3H3",C10H12O,148.088815
2152,"Benzaldehyde, 2,4,6-trihydroxy-",487-70-7,DTXSID90197594,68099,"Benzaldehyde, 2,4,6-trihydroxy-",BTQAJGSMXCDDAJ-UHFFFAOYSA-N,"2,4,6-Trihydroxybenzaldehyde",OC1=CC(O)=C(C=O)C(O)=C1,"InChI=1S/C7H6O4/c8-3-5-6(10)1-4(9)2-7(5)11/h1-3,9-11H",C7H6O4,154.0266087
2153,"1,3,3-Trimethyltricyclo(2.2.1.02,6)heptane",488-97-1,DTXSID70870555,79022,"1,3,3-Trimethyltricyclo(2.2.1.02,6)heptane",NZXWDTCLMXDSHY-UHFFFAOYSA-N,"1,3,3-Trimethyltricyclo[2.2.1.0~2,6~]heptane",CC12CC3CC1C2C3(C)C,"InChI=1S/C10H16/c1-9(2)6-4-7-8(9)10(7,3)5-6/h6-8H,4-5H2,1-3H3",C10H16,136.1252005
2154,"[1,1'-Bicyclopentyl]-2-one",4884-24-6,DTXSID70863467,21003,"[1,1'-Bicyclopentyl]-2-one",CWZGKTMWPFTJCS-UHFFFAOYSA-N,"[1,1'-Bi(cyclopentan)]-2-one",O=C1CCCC1C1CCCC1,"InChI=1S/C10H16O/c11-10-7-3-6-9(10)8-4-1-2-5-8/h8-9H,1-7H2",C10H16O,152.1201151
2155,"2,6-Di-tert-butyl-4-methoxyphenol",489-01-0,DTXSID8041379,10269,"2,6-Di-tert-butyl-4-methoxyphenol",SLUKQUGVTITNSY-UHFFFAOYSA-N,"2,6-Di-tert-butyl-4-methoxyphenol",COC1=CC(=C(O)C(=C1)C(C)(C)C)C(C)(C)C,"InChI=1S/C15H24O2/c1-14(2,3)11-8-10(17-7)9-12(13(11)16)15(4,5)6/h8-9,16H,1-7H3",C15H24O2,236.17763
2156,(+)-Maaliene,489-28-1,,12312616,(+)-Maaliene,OULROVQTHHSDPX-COMQUAJESA-N,"(1aR,3aS,7aS,7bR)-1,1,3a,7-tetramethyl-2,3,4,5,7a,7b-hexahydro-1aH-cyclopropa[a]naphthalene",C1=C(C)C2C3C(CCC2(C)CC1)C3(C)C,"InChI=1S/C15H24/c1-10-6-5-8-15(4)9-7-11-13(12(10)15)14(11,2)3/h6,11-13H,5,7-9H2,1-4H3",C15H24,204.188
2157,?-Maaliene,489-29-2,DTXSID001318559,101596917,β-Maaliene,UPGLJTCDRBIZKP-KYOSRNDESA-N,"(1aR,3aS,7bS)-1,1,3a,7-Tetramethyl-1a,2,3,3a,4,5,6,7b-octahydro-1H-cyclopropa[a]naphthalene",CC1=C2[C@H]3[C@@H](CC[C@]2(C)CCC1)C3(C)C,"InChI=1S/C15H24/c1-10-6-5-8-15(4)9-7-11-13(12(10)15)14(11,2)3/h11,13H,5-9H2,1-4H3/t11-,13-,15+/m1/s1",C15H24,204.1878008
2158,alpha-Gurjunene,489-40-7,DTXSID0052126,15560276,alpha-Gurjunene,SPCXZDDGSGTVAW-XIDUGBJDSA-N,"(1aR,4R,4aR,7bS)-1,1,4,7-Tetramethyl-1a,2,3,4,4a,5,6,7b-octahydro-1H-cyclopropa[e]azulene",C[C@@H]1CC[C@@H]2[C@H](C3=C(C)CC[C@H]13)C2(C)C,"InChI=1S/C15H24/c1-9-6-8-12-14(15(12,3)4)13-10(2)5-7-11(9)13/h9,11-12,14H,5-8H2,1-4H3/t9-,11-,12-,14-/m1/s1",C15H24,204.1878008
2159,"1,4-Dimethyl-6-(1-methylethyl)naphthalene (ACI)",489-77-0,,603340,"1,4-Dimethyl-6-(1-methylethyl)naphthalene (ACI)",AIZMBERBKBKQKL-UHFFFAOYSA-N,"1,4-dimethyl-6-propan-2-ylnaphthalene",C=1C=C2C(=CC1C(C)C)C(=CC=C2C)C,"InChI=1S/C15H18/c1-10(2)13-7-8-14-11(3)5-6-12(4)15(14)9-13/h5-10H,1-4H3",C15H18,198.141
2160,Guaiazulene,489-84-9,DTXSID7045996,3515,Guaiazulene,FWKQNCXZGNBPFD-UHFFFAOYSA-N,"1,4-Dimethyl-7-(propan-2-yl)azulene",CC(C)C1=CC2=C(C)C=CC2=C(C)C=C1,"InChI=1S/C15H18/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-10H,1-4H3",C15H18,198.1408506
2161,1-Methyl-7-isopropylnaphthalene,490-65-3,DTXSID10197657,10277,1-Methyl-7-isopropylnaphthalene,UZVVHZJKXPCUQU-UHFFFAOYSA-N,1-Methyl-7-(propan-2-yl)naphthalene,CC(C)C1=CC2=C(C)C=CC=C2C=C1,"InChI=1S/C14H16/c1-10(2)13-8-7-12-6-4-5-11(3)14(12)9-13/h4-10H,1-3H3",C14H16,184.1252005
2162,"1,5,9-Cyclododecatriene",4904-61-4,DTXSID8027581,12668,"1,5,9-Cyclododecatriene",ZOLLIQAKMYWTBR-UHFFFAOYSA-N,"Cyclododeca-1,5,9-triene",C1CC=CCCC=CCCC=C1,"InChI=1S/C12H18/c1-2-4-6-8-10-12-11-9-7-5-3-1/h1-2,7-10H,3-6,11-12H2",C12H18,162.1408506
2163,"(2R,5R)-5-methyl-2-propan-2-ylcyclohexan-1-ol",3623-51-6,DTXSID20883998,,dl-Neomenthol,NOOLISFMXDJSKH-ADOFLDEHNA-N,"(1S,2S,5R)-5-Methyl-2-(propan-2-yl)cyclohexan-1-ol",CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1O,"InChI=1S/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3/t8-,9+,10+/m1/s1",C10H20O,156.1514153
2164,Lepidine,491-35-0,DTXSID7047067,10285,Lepidine,MUDSDYNRBDKLGK-UHFFFAOYSA-N,4-Methylquinoline,CC1=CC=NC2=C1C=CC=C2,"InChI=1S/C10H9N/c1-8-6-7-11-10-5-3-2-4-9(8)10/h2-7H,1H3",C10H9N,143.0734993
2165,"3-hexene, 3-methyl-, (z)-",4914-89-0,DTXSID20880765,5357250,(Z)-3-Methyl-3-hexene,FHHSSXNRVNXTBG-SREVYHEPSA-N,(3Z)-3-Methylhex-3-ene,CC\C=C(\C)CC,"InChI=1S/C7H14/c1-4-6-7(3)5-2/h6H,4-5H2,1-3H3/b7-6-",C7H14,98.10955045
2166,"1,1'-Biphenyl, 3,3',4,4'-tetramethyl-",4920-95-0,DTXSID9074646,21029,"1,1'-Biphenyl, 3,3',4,4'-tetramethyl-",YXBIAYXZUDJVEB-UHFFFAOYSA-N,"3,3',4,4'-Tetramethyl-1,1'-biphenyl",CC1=C(C)C=C(C=C1)C1=CC(C)=C(C)C=C1,"InChI=1S/C16H18/c1-11-5-7-15(9-13(11)3)16-8-6-12(2)14(4)10-16/h5-10H,1-4H3",C16H18,210.1408506
2167,trans-Decahydronaphthalene,493-02-7,DTXSID90883405,,trans-Decahydronaphthalene,NNBZCPXTIHJBJL-MGCOHNPYNA-N,"(4ar,8ar)-Decahydronaphthalene",[H][C@@]12CCCC[C@@]1([H])CCCC2,"InChI=1S/C10H18/c1-2-6-10-8-4-3-7-9(10)5-1/h9-10H,1-8H2/t9-,10-",C10H18,138.1408506
2168,Menthofuran,494-90-6,DTXSID9025534,329983,Menthofuran,YGWKXXYGDYYFJU-UHFFFAOYSA-N,"3,6-Dimethyl-4,5,6,7-tetrahydro-1-benzofuran",CC1CCC2=C(C1)OC=C2C,"InChI=1S/C10H14O/c1-7-3-4-9-8(2)6-11-10(9)5-7/h6-7H,3-5H2,1-2H3",C10H14O,150.1044651
2169,beta-Bisabolene,495-61-4,DTXSID701017550,10104370,beta-Bisabolene,XZRVRYFILCSYSP-OAHLLOKOSA-N,"(4S)-1-Methyl-4-(6-methylhepta-1,5-dien-2-yl)cyclohex-1-ene",CC(C)=CCCC(=C)[C@H]1CCC(C)=CC1,"InChI=1S/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8,15H,4-5,7,9-11H2,1-3H3/t15-/m1/s1",C15H24,204.1878008
2170,"3-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-propenal",4951-40-0,DTXSID601236761,107614,"3-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-propenal",FLOPAOUVAMIAJN-UHFFFAOYSA-N,"3-(2,6,6-Trimethylcyclohex-1-en-1-yl)prop-2-enal",CC1=C(C=CC=O)C(C)(C)CCC1,"InChI=1S/C12H18O/c1-10-6-4-8-12(2,3)11(10)7-5-9-13/h5,7,9H,4,6,8H2,1-3H3",C12H18O,178.1357652
2171,1-Methyl-4-[(4-methylphenyl)methyl]benzene,4957-14-6,DTXSID90197852,21071,1-Methyl-4-[(4-methylphenyl)methyl]benzene,HZAWPPRBCALFRN-UHFFFAOYSA-N,"1,1'-Methylenebis(4-methylbenzene)",CC1=CC=C(CC2=CC=C(C)C=C2)C=C1,"InChI=1S/C15H16/c1-12-3-7-14(8-4-12)11-15-9-5-13(2)6-10-15/h3-10H,11H2,1-2H3",C15H16,196.1252005
2172,"2,4,6-Tris(1-methylethyl)benzoic acid",49623-71-4,DTXSID50197939,96214,"2,4,6-Tris(1-methylethyl)benzoic acid",ULVHAZFBJJXIDO-UHFFFAOYSA-N,"2,4,6-Tri(propan-2-yl)benzoic acid",CC(C)C1=CC(C(C)C)=C(C(O)=O)C(=C1)C(C)C,"InChI=1S/C16H24O2/c1-9(2)12-7-13(10(3)4)15(16(17)18)14(8-12)11(5)6/h7-11H,1-6H3,(H,17,18)",C16H24O2,248.17763
2173,"Cephalotaxine, 11-(acetyloxy)-, acetate (ester), (11?)- (9CI)",49686-56-8,,631180,"Cephalotaxine, 11-(acetyloxy)-, acetate (ester), (11?)- (9CI)",LNFDAQDPCVCLMI-UHFFFAOYSA-N,"(3-acetyloxy-4-methoxy-16,18-dioxa-10-azapentacyclo[11.7.0.02,6.06,10.015,19]icosa-1(20),4,13,15(19)-tetraen-12-yl) acetate",O=C(OC1C2=CC=3OCOC3C=C2C4C(OC(=O)C)C(OC)=CC54N(CCC5)C1)C,"InChI=1S/C22H25NO7/c1-12(24)29-19-10-23-6-4-5-22(23)9-18(26-3)21(30-13(2)25)20(22)15-8-17-16(7-14(15)19)27-11-28-17/h7-9,19-21H,4-6,10-11H2,1-3H3",C22H25NO7,415.163
2174,Tribromodiphenyl ether,49690-94-0,DTXSID50881109,,Tribromodiphenyl ether,,,,,,
2175,Carbonic acid sodium salt (1:2),497-19-8,DTXSID1029621,10340,Carbonic acid sodium salt (1:2),CDBYLPFSWZWCQE-UHFFFAOYSA-L,Disodium carbonate,[Na+].[Na+].[O-]C([O-])=O,"InChI=1S/CH2O3.2Na/c2-1(3)4;;/h(H2,2,3,4);;/q;2*+1/p-2",CNa2O3,105.9642824
2176,2(5H)-Furanone,497-23-4,DTXSID7075422,10341,2(5H)-Furanone,VIHAEDVKXSOUAT-UHFFFAOYSA-N,Furan-2(5H)-one,O=C1OCC=C1,"InChI=1S/C4H4O2/c5-4-2-1-3-6-4/h1-2H,3H2",C4H4O2,84.02112937
2177,"2-Methyl-1,3-dioxolane",497-26-7,DTXSID7060095,10342,"2-Methyl-1,3-dioxolane",HTWIZMNMTWYQRN-UHFFFAOYSA-N,"2-Methyl-1,3-dioxolane",CC1OCCO1,"InChI=1S/C4H8O2/c1-4-5-2-3-6-4/h4H,2-3H2,1H3",C4H8O2,88.0524295
2178,"3,7-Dimethyloct-1-ene",4984-01-4,DTXSID30871109,21085,"3,7-Dimethyloct-1-ene",KSXTZYRIJKDCEA-UHFFFAOYSA-N,"3,7-Dimethyloct-1-ene",CC(C)CCCC(C)C=C,"InChI=1S/C10H20/c1-5-10(4)8-6-7-9(2)3/h5,9-10H,1,6-8H2,2-4H3",C10H20,140.1565006
2179,"Hydrazine, 1,1-dipropyl-",4986-50-9,DTXSID90198127,78683,"Hydrazine, 1,1-dipropyl-",ZHHHDUSWMATTFE-UHFFFAOYSA-N,"1,1-Dipropylhydrazine",CCCN(N)CCC,"InChI=1S/C6H16N2/c1-3-5-8(7)6-4-2/h3-7H2,1-2H3",C6H16N2,116.1313485
2180,Isopropyl-o-cresol,499-75-2,DTXSID6042074,10364,Isopropyl-o-cresol,RECUKUPTGUEGMW-UHFFFAOYSA-N,2-Methyl-5-(propan-2-yl)phenol,CC(C)C1=CC=C(C)C(O)=C1,"InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4-7,11H,1-3H3",C10H14O,150.1044651
2181,1-Methylene-4-(1-methylvinyl)cyclohexane,499-97-8,DTXSID40198152,68140,1-Methylene-4-(1-methylvinyl)cyclohexane,GOQRXDTWKVYHJH-UHFFFAOYSA-N,1-Methylidene-4-(prop-1-en-2-yl)cyclohexane,CC(=C)C1CCC(=C)CC1,"InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h10H,1,3-7H2,2H3",C10H16,136.1252005
2182,4-Phenyl-1-cyclohexene,4994-16-5,DTXSID9047176,21096,4-Phenyl-1-cyclohexene,XWCWNUSFQVJNDI-UHFFFAOYSA-N,"1,2,3,6-Tetrahydro-1,1'-biphenyl",C1CC(CC=C1)C1=CC=CC=C1,"InChI=1S/C12H14/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-5,7-8,12H,6,9-10H2",C12H14,158.1095505
2183,2-(2H-Benzotriazol-2-yl)-5-methylphenol (ACI),4998-48-5,DTXSID401355432,614392,2-(2H-Benzotriazol-2-yl)-5-methylphenol,RTFZCRWZPPIBGX-UHFFFAOYSA-N,,CC1=CC(O)=C(C=C1)N1N=C2C=CC=CC2=N1,"InChI=1S/C13H11N3O/c1-9-6-7-12(13(17)8-9)16-14-10-4-2-3-5-11(10)15-16/h2-8,17H,1H3",C13H11N3O,225.090212
2184,Formaldehyde,50-00-0,DTXSID7020637,712,Formaldehyde,WSFSSNUMVMOOMR-UHFFFAOYSA-N,Formaldehyde,C=O,InChI=1S/CH2O/c1-2/h1H2,CH2O,30.01056468
2185,17beta-Estradiol,50-28-2,DTXSID0020573,5757,17beta-Estradiol,VOXZDWNPVJITMN-ZBRFXRBCSA-N,"Estra-1(10),2,4-triene-3,17beta-diol",[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])C3=CC=C(O)C=C3CC[C@@]21[H],"InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1",C18H24O2,272.17763
2186,DDT,50-29-3,DTXSID4020375,3036,DDT,YVGGHNCTFXOJCH-UHFFFAOYSA-N,"1,1'-(2,2,2-Trichloroethane-1,1-diyl)bis(4-chlorobenzene)",ClC1=CC=C(C=C1)C(C1=CC=C(Cl)C=C1)C(Cl)(Cl)Cl,"InChI=1S/C14H9Cl5/c15-11-5-1-9(2-6-11)13(14(17,18)19)10-3-7-12(16)8-4-10/h1-8,13H",C14H9Cl5,351.9146888
2187,Benzo[a]pyrene,50-32-8,DTXSID2020139,2336,Benzo[a]pyrene,FMMWHPNWAFZXNH-UHFFFAOYSA-N,Benzo[pqr]tetraphene,C1=CC=C2C(=C1)C=C1C=CC3=CC=CC4=CC=C2C1=C34,InChI=1S/C20H12/c1-2-7-17-15(4-1)12-16-9-8-13-5-3-6-14-10-11-18(17)20(16)19(13)14/h1-12H,C20H12,252.0939004
2188,Nordihydroguaiaretic acid,500-38-9,DTXSID5022437,4534,Nordihydroguaiaretic acid,HCZKYJDFEPMADG-UHFFFAOYSA-N,"4,4'-(2,3-Dimethylbutane-1,4-diyl)di(benzene-1,2-diol)",CC(CC1=CC(O)=C(O)C=C1)C(C)CC1=CC=C(O)C(O)=C1,"InChI=1S/C18H22O4/c1-11(7-13-3-5-15(19)17(21)9-13)12(2)8-14-4-6-16(20)18(22)10-14/h3-6,9-12,19-22H,7-8H2,1-2H3",C18H22O4,302.1518092
2189,"Benzene, 1,1'-(1,2-ethynediyl)bis-",501-65-5,DTXSID4060109,10390,"Benzene, 1,1'-(1,2-ethynediyl)bis-",JRXXLCKWQFKACW-UHFFFAOYSA-N,"1,1'-(Ethyne-1,2-diyl)dibenzene",C1=CC=C(C=C1)C#CC1=CC=CC=C1,InChI=1S/C14H10/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14/h1-10H,C14H10,178.0782503
2190,Caprolactone,502-44-3,DTXSID4027159,10401,Caprolactone,PAPBSGBWRJIAAV-UHFFFAOYSA-N,Oxepan-2-one,O=C1CCCCCO1,InChI=1S/C6H10O2/c7-6-4-2-1-3-5-8-6/h1-5H2,C6H10O2,114.0680796
2191,"2-Hydroxypropane-1,3-diyl dihexadecanoate",502-52-3,DTXSID40964531,68149,"2-Hydroxypropane-1,3-diyl dihexadecanoate",GFAZGHREJPXDMH-UHFFFAOYSA-N,"2-Hydroxypropane-1,3-diyl dihexadecanoate",CCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C35H68O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(37)39-31-33(36)32-40-35(38)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33,36H,3-32H2,1-2H3",C35H68O5,568.5066753
2192,5-Nonanone,502-56-7,DTXSID7022045,10405,5-Nonanone,WSGCRAOTEDLMFQ-UHFFFAOYSA-N,Nonan-5-one,CCCCC(=O)CCCC,"InChI=1S/C9H18O/c1-3-5-7-9(10)8-6-4-2/h3-8H2,1-2H3",C9H18O,142.1357652
2193,Myristelaidic acid,50286-30-1,DTXSID901009351,5312402,Myristelaidic acid,YWWVWXASSLXJHU-AATRIKPKSA-N,(9E)-Tetradec-9-enoic acid,CCCC\C=C\CCCCCCCC(O)=O,"InChI=1S/C14H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h5-6H,2-4,7-13H2,1H3,(H,15,16)/b6-5+",C14H26O2,226.1932801
2194,Azetidine,503-29-7,DTXSID8060117,10422,Azetidine,HONIICLYMWZJFZ-UHFFFAOYSA-N,Azetidine,C1CNC1,"InChI=1S/C3H7N/c1-2-4-3-1/h4H,1-3H2",C3H7N,57.05784923
2195,Isovaleric acid,503-74-2,DTXSID5029182,10430,Isovaleric acid,GWYFCOCPABKNJV-UHFFFAOYSA-N,3-Methylbutanoic acid,CC(C)CC(O)=O,"InChI=1S/C5H10O2/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H,6,7)",C5H10O2,102.0680796
2196,"Dicarbonic acid (9CI, ACI)",503-81-1,,153747,"Dicarbonic acid (9CI, ACI)",ZFTFAPZRGNKQPU-UHFFFAOYSA-N,carboxy hydrogen carbonate,O=C(O)OC(=O)O,"InChI=1S/C2H2O5/c3-1(4)7-2(5)6/h(H,3,4)(H,5,6)",C2H2O5,105.99
2197,2-[(6-Methyl-2-pyridinyl)amino]-2-oxoacetic acid (ACI),503562-63-8,,21209128,2-[(6-Methyl-2-pyridinyl)amino]-2-oxoacetic acid (ACI),JFRJFGDUOKKSSI-UHFFFAOYSA-N,2-[(6-methylpyridin-2-yl)amino]-2-oxoacetic acid,O=C(O)C(=O)NC=1N=C(C=CC1)C,"InChI=1S/C8H8N2O3/c1-5-3-2-4-6(9-5)10-7(11)8(12)13/h2-4H,1H3,(H,12,13)(H,9,10,11)",C8H8N2O3,180.053
2198,Phorone,504-20-1,DTXSID1021584,10438,Phorone,MTZWHHIREPJPTG-UHFFFAOYSA-N,"2,6-Dimethylhepta-2,5-dien-4-one",CC(C)=CC(=O)C=C(C)C,"InChI=1S/C9H14O/c1-7(2)5-9(10)6-8(3)4/h5-6H,1-4H3",C9H14O,138.1044651
2199,Octanedioic acid,505-48-6,DTXSID8021644,22494956,Octanedioic acid,TYFQFVWCELRYAO-UHFFFAOYSA-N,Octanedioic acid,OC(=O)CCCCCCC(O)=O,"InChI=1S/C8H14O4/c9-7(10)5-3-1-2-4-6-8(11)12/h1-6H2,(H,9,10)(H,11,12)",C8H14O4,174.0892089
2200,Hexadecanedioic acid,505-54-4,DTXSID2060129,10459,Hexadecanedioic acid,QQHJDPROMQRDLA-UHFFFAOYSA-N,Hexadecanedioic acid,OC(=O)CCCCCCCCCCCCCCC(O)=O,"InChI=1S/C16H30O4/c17-15(18)13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(19)20/h1-14H2,(H,17,18)(H,19,20)",C16H30O4,286.2144094
2201,2-Butylpyridine,5058-19-5,DTXSID00198597,78750,2-Butylpyridine,ADSOSINJPNKUJK-UHFFFAOYSA-N,2-Butylpyridine,CCCCC1=CC=CC=N1,"InChI=1S/C9H13N/c1-2-3-6-9-7-4-5-8-10-9/h4-5,7-8H,2-3,6H2,1H3",C9H13N,135.1047994
2202,"2,3,7,8-Tetrabromodibenzo-p-dioxin",50585-41-6,DTXSID6073524,39729,"2,3,7,8-Tetrabromodibenzo-p-dioxin",JZLQUWSWOJPCAK-UHFFFAOYSA-N,"2,3,7,8-Tetrabromooxanthrene",BrC1=CC2=C(OC3=CC(Br)=C(Br)C=C3O2)C=C1Br,InChI=1S/C12H4Br4O2/c13-5-1-9-10(2-6(5)14)18-12-4-8(16)7(15)3-11(12)17-9/h1-4H,C12H4Br4O2,495.694481
2203,Heptadecanoic acid,506-12-7,DTXSID5021596,10465,Heptadecanoic acid,KEMQGTRYUADPNZ-UHFFFAOYSA-N,Heptadecanoic acid,CCCCCCCCCCCCCCCCC(O)=O,"InChI=1S/C17H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h2-16H2,1H3,(H,18,19)",C17H34O2,270.2558803
2204,16-Hydroxypalmitic acid,506-13-8,DTXSID6060133,10466,16-Hydroxypalmitic acid,UGAGPNKCDRTDHP-UHFFFAOYSA-N,16-Hydroxyhexadecanoic acid,OCCCCCCCCCCCCCCCC(O)=O,"InChI=1S/C16H32O3/c17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(18)19/h17H,1-15H2,(H,18,19)",C16H32O3,272.2351449
2205,cis-Vaccenic acid,506-17-2,DTXSID70881242,5282761,cis-Vaccenic acid,UWHZIFQPPBDJPM-FPLPWBNLSA-N,(11Z)-Octadec-11-enoic acid,CCCCCC\C=C/CCCCCCCCCC(O)=O,"InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h7-8H,2-6,9-17H2,1H3,(H,19,20)/b8-7-",C18H34O2,282.2558803
2206,Gamolenic acid,506-26-3,DTXSID7046170,5280933,Gamolenic acid,VZCCETWTMQHEPK-QNEBEIHSSA-N,"(6Z,9Z,12Z)-Octadeca-6,9,12-trienoic acid",CCCCC\C=C/C\C=C/C\C=C/CCCCC(O)=O,"InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10,12-13H,2-5,8,11,14-17H2,1H3,(H,19,20)/b7-6-,10-9-,13-12-",C18H30O2,278.2245802
2207,Eicosanoic acid,506-30-9,DTXSID1060134,10467,Eicosanoic acid,VKOBVWXKNCXXDE-UHFFFAOYSA-N,Icosanoic acid,CCCCCCCCCCCCCCCCCCCC(O)=O,"InChI=1S/C20H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2-19H2,1H3,(H,21,22)",C20H40O2,312.3028305
2208,Arachidonic acid,506-32-1,DTXSID4040420,444899,Arachidonic acid,YZXBAPSDXZZRGB-DOFZRALJSA-N,"(5Z,8Z,11Z,14Z)-Icosa-5,8,11,14-tetraenoic acid",CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(O)=O,"InChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-,16-15-",C20H32O2,304.2402303
2209,"(Z,Z)-9,12-Octadecadien-1-ol",506-43-4,DTXSID50881240,5365682,"(Z,Z)-9,12-Octadecadien-1-ol",JXNPEDYJTDQORS-HZJYTTRNSA-N,"(9Z,12Z)-Octadeca-9,12-dien-1-ol",CCCCC\C=C/C\C=C/CCCCCCCCO,"InChI=1S/C18H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h6-7,9-10,19H,2-5,8,11-18H2,1H3/b7-6-,10-9-",C18H34O,266.2609657
2210,"(9Z,12Z,15Z)-9,12,15-Octadecatrien-1-ol",506-44-5,DTXSID80880766,6436081,"(9Z,12Z,15Z)-9,12,15-Octadecatrien-1-ol",IKYKEVDKGZYRMQ-PDBXOOCHSA-N,"(9Z,12Z,15Z)-Octadeca-9,12,15-trien-1-ol",CC\C=C/C\C=C/C\C=C/CCCCCCCCO,"InChI=1S/C18H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h3-4,6-7,9-10,19H,2,5,8,11-18H2,1H3/b4-3-,7-6-,10-9-",C18H32O,264.2453157
2211,Hexacosanoic acid,506-46-7,DTXSID7075050,10469,Hexacosanoic acid,XMHIUKTWLZUKEX-UHFFFAOYSA-N,Hexacosanoic acid,CCCCCCCCCCCCCCCCCCCCCCCCCC(O)=O,"InChI=1S/C26H52O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26(27)28/h2-25H2,1H3,(H,27,28)",C26H52O2,396.3967309
2212,Octacosanoic acid,506-48-9,DTXSID2075051,10470,Octacosanoic acid,UTOPWMOLSKOLTQ-UHFFFAOYSA-N,Octacosanoic acid,CCCCCCCCCCCCCCCCCCCCCCCCCCCC(O)=O,"InChI=1S/C28H56O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28(29)30/h2-27H2,1H3,(H,29,30)",C28H56O2,424.428031
2213,1-Tetracosanol,506-51-4,DTXSID8027161,10472,1-Tetracosanol,TYWMIZZBOVGFOV-UHFFFAOYSA-N,Tetracosan-1-ol,CCCCCCCCCCCCCCCCCCCCCCCCO,"InChI=1S/C24H50O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25/h25H,2-24H2,1H3",C24H50O,354.3861662
2214,"2-hexen-1-ol, 2-ethyl-",50639-00-4,DTXSID60880820,5362614,"2-hexen-1-ol, 2-ethyl-",JSRFYJBJQPGAAA-SOFGYWHQSA-N,(2E)-2-Ethylhex-2-en-1-ol,CCC\C=C(/CC)CO,"InChI=1S/C8H16O/c1-3-5-6-8(4-2)7-9/h6,9H,3-5,7H2,1-2H3/b8-6+",C8H16O,128.1201151
2215,endo-Borneol,507-70-0,DTXSID3052143,,endo-Borneol,DTGKSKDOIYIVQL-SCAUNJPWNA-N,"(1R,2S,4R)-1,7,7-Trimethylbicyclo[2.2.1]heptan-2-ol",CC1(C)[C@@H]2CC[C@@]1(C)[C@@H](O)C2,"InChI=1S/C10H18O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7-8,11H,4-6H2,1-3H3/t7-,8+,10+/m1/s1",C10H18O,154.1357652
2216,2-Methoxy-6-methylaniline,50868-73-0,DTXSID00332616,459249,2-Methoxy-6-methylaniline,HKOJYPPTIPJZAZ-UHFFFAOYSA-N,2-Methoxy-6-methylaniline,COC1=CC=CC(C)=C1N,"InChI=1S/C8H11NO/c1-6-4-3-5-7(10-2)8(6)9/h3-5H,9H2,1-2H3",C8H11NO,137.084064
2217,"cyclohexane, 1,1,3,5-tetramethyl-, trans-",50876-31-8,DTXSID70880639,6432485,"cyclohexane, 1,1,3,5-tetramethyl-, trans-",WOJSMJIXPQLESQ-RKDXNWHRSA-N,"(3R,5R)-1,1,3,5-Tetramethylcyclohexane",C[C@@H]1C[C@@H](C)CC(C)(C)C1,"InChI=1S/C10H20/c1-8-5-9(2)7-10(3,4)6-8/h8-9H,5-7H2,1-4H3/t8-,9-/m1/s1",C10H20,140.1565006
2218,"2-Butyl-3,5-dimethylpyrazine",50888-63-6,DTXSID70198908,528127,"2-Butyl-3,5-dimethylpyrazine",CSGGOEBNSRAFPU-UHFFFAOYSA-N,"2-Butyl-3,5-dimethylpyrazine",CCCCC1=NC=C(C)N=C1C,"InChI=1S/C10H16N2/c1-4-5-6-10-9(3)12-8(2)7-11-10/h7H,4-6H2,1-3H3",C10H16N2,164.1313485
2219,C.I. Solvent Red 49,509-34-2,DTXSID3041744,62357,C.I. Solvent Red 49,DZNJMLVCIZGWSC-UHFFFAOYSA-N,"3',6'-Bis(diethylamino)-3H-spiro[[2]benzofuran-1,9'-xanthen]-3-one",CCN(CC)C1=CC=C2C(OC3=CC(=CC=C3C22OC(=O)C3=CC=CC=C23)N(CC)CC)=C1,"InChI=1S/C28H30N2O3/c1-5-29(6-2)19-13-15-23-25(17-19)32-26-18-20(30(7-3)8-4)14-16-24(26)28(23)22-12-10-9-11-21(22)27(31)33-28/h9-18H,5-8H2,1-4H3",C28H30N2O3,442.2256428
2220,"Nootkatene (6CI, 7CI)",5090-61-9,,25200342,"Nootkatene (6CI, 7CI)",RSKODCFDTXJUBN-NFAWXSAZSA-N,"(2R,8R,8aS)-8,8a-dimethyl-2-prop-1-en-2-yl-2,3,7,8-tetrahydro-1H-naphthalene",C=C(C)C1CC=C2C=CCC(C)C2(C)C1,"InChI=1S/C15H22/c1-11(2)13-8-9-14-7-5-6-12(3)15(14,4)10-13/h5,7,9,12-13H,1,6,8,10H2,2-4H3",C15H22,202.172
2221,4-[2-(Acryloyloxy)ethoxy]-4-oxobutanoic acid,50940-49-3,DTXSID4044820,175956,Acryloyloxyethyl succinate,UZDMJPAQQFSMMV-UHFFFAOYSA-N,4-Oxo-4-{2-[(prop-2-enoyl)oxy]ethoxy}butanoic acid,OC(=O)CCC(=O)OCCOC(=O)C=C,"InChI=1S/C9H12O6/c1-2-8(12)14-5-6-15-9(13)4-3-7(10)11/h2H,1,3-6H2,(H,10,11)",C9H12O6,216.0633881
2222,"rel-(1R,2R)-2-Ethyl-1,1'-bi(cyclohexyl)",50991-13-4,DTXSID001337515,,"rel-(1R,2R)-2-Ethyl-1,1'-bi(cyclohexyl)",UGQREFNYSITUMG-XIZJRXAANA-N,,[H][C@]1(CCCC[C@H]1CC)C1CCCCC1,"InChI=1S/C14H26/c1-2-12-8-6-7-11-14(12)13-9-4-3-5-10-13/h12-14H,2-11H2,1H3/t12-,14-/m1/s1",C14H26,194.2034508
2223,"Methyl (1S,4aS,6S,7S,7aS)-1-(?-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-6-hydroxy-7-(hydroxymethyl)cyclopenta[c]pyran-4-carboxylate (ACI)",50991-49-6,,443340,"Methyl (1S,4aS,6S,7S,7aS)-1-(?-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-6-hydroxy-7-(hydroxymethyl)cyclopenta[c]pyran-4-carboxylate (ACI)",GTEDLLYKAJRTNK-UMHDANERSA-N,"methyl (1S,4aS,6S,7S,7aS)-6-hydroxy-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate",O=C(OC)C1=COC(OC2OC(CO)C(O)C(O)C2O)C3C1CC(O)C3CO,"InChI=1S/C17H26O11/c1-25-15(24)8-5-26-16(11-6(8)2-9(20)7(11)3-18)28-17-14(23)13(22)12(21)10(4-19)27-17/h5-7,9-14,16-23H,2-4H2,1H3",C17H26O11,406.148
2224,Piperonyl butoxide,51-03-6,DTXSID1021166,5794,Piperonyl butoxide,FIPWRIJSWJWJAI-UHFFFAOYSA-N,"5-{[2-(2-Butoxyethoxy)ethoxy]methyl}-6-propyl-2H-1,3-benzodioxole",CCCCOCCOCCOCC1=CC2=C(OCO2)C=C1CCC,"InChI=1S/C19H30O5/c1-3-5-7-20-8-9-21-10-11-22-14-17-13-19-18(23-15-24-19)12-16(17)6-4-2/h12-13H,3-11,14-15H2,1-2H3",C19H30O5,338.2093241
2225,"2,4-Dinitrophenol",51-28-5,DTXSID0020523,1493,"2,4-Dinitrophenol",UFBJCMHMOXMLKC-UHFFFAOYSA-N,"2,4-Dinitrophenol",OC1=C(C=C(C=C1)[N+]([O-])=O)[N+]([O-])=O,"InChI=1S/C6H4N2O5/c9-6-2-1-4(7(10)11)3-5(6)8(12)13/h1-3,9H",C6H4N2O5,184.0120212
2226,cis-Chlordane,5103-71-9,DTXSID6038326,,cis-Chlordane,BIWJNBZANLAXMG-PEXLGIJSNA-N,"(1R,2S,3aS,4S,7aS)-1,2,4,5,6,7,8,8-Octachloro-2,3,3a,4,7,7a-hexahydro-1H-4,7-methanoindene",[H][C@]12C[C@H](Cl)[C@H](Cl)[C@@]1([H])[C@@]1(Cl)C(Cl)=C(Cl)[C@]2(Cl)C1(Cl)Cl,"InChI=1S/C10H6Cl8/c11-3-1-2-4(5(3)12)9(16)7(14)6(13)8(2,15)10(9,17)18/h2-5H,1H2/t2-,3-,4-,5-,8-,9+/m0/s1",C10H6Cl8,405.7977718
2227,trans-Chlordane,5103-74-2,DTXSID4038346,,trans-Chlordane,BIWJNBZANLAXMG-PGCVDOQQNA-N,"(1R,2R,3aS,4S,7R,7aS)-1,2,4,5,6,7,8,8-Octachloro-2,3,3a,4,7,7a-hexahydro-1H-4,7-methanoindene",[H][C@]12C[C@@H](Cl)[C@H](Cl)[C@@]1([H])[C@@]1(Cl)C(Cl)=C(Cl)[C@]2(Cl)C1(Cl)Cl,"InChI=1S/C10H6Cl8/c11-3-1-2-4(5(3)12)9(16)7(14)6(13)8(2,15)10(9,17)18/h2-5H,1H2/t2-,3+,4-,5-,8-,9+/m0/s1",C10H6Cl8,405.7977718
2228,"1,6-Diisopropylnaphthalene",51113-41-8,DTXSID00199120,3016596,"1,6-Diisopropylnaphthalene",GQHUSRBBMNYHIF-UHFFFAOYSA-N,"1,6-Di(propan-2-yl)naphthalene",CC(C)C1=CC2=C(C=C1)C(=CC=C2)C(C)C,"InChI=1S/C16H20/c1-11(2)13-8-9-16-14(10-13)6-5-7-15(16)12(3)4/h5-12H,1-4H3",C16H20,212.1565006
2229,2-Methylbutyl salicylate,51115-63-0,DTXSID3052145,162626,2-Methylbutyl salicylate,LCMNCRZMVCRJNZ-UHFFFAOYSA-N,2-Methylbutyl 2-hydroxybenzoate,CCC(C)COC(=O)C1=CC=CC=C1O,"InChI=1S/C12H16O3/c1-3-9(2)8-15-12(14)10-6-4-5-7-11(10)13/h4-7,9,13H,3,8H2,1-2H3",C12H16O3,208.1099444
2230,"2-Pentene, 1-ethoxy-4-methyl-, (Z)- (9CI)",51149-75-8,,5365079,"2-Pentene, 1-ethoxy-4-methyl-, (Z)- (9CI)",XLTXOKDODGBUDF-WAYWQWQTSA-N,(Z)-1-ethoxy-4-methylpent-2-ene,O(CC=CC(C)C)CC,"InChI=1S/C8H16O/c1-4-9-7-5-6-8(2)3/h5-6,8H,4,7H2,1-3H3",C8H16O,128.12
2231,"2,4,4-Trimethyl-1-hexene",51174-12-0,DTXSID10199196,142817,"2,4,4-Trimethyl-1-hexene",AVKVJWFFVHGHLJ-UHFFFAOYSA-N,"2,4,4-Trimethylhex-1-ene",CCC(C)(C)CC(C)=C,"InChI=1S/C9H18/c1-6-9(4,5)7-8(2)3/h2,6-7H2,1,3-5H3",C9H18,126.1408506
2232,Trimethyl orthophosphate,512-56-1,DTXSID1021403,10541,Trimethyl orthophosphate,WVLBCYQITXONBZ-UHFFFAOYSA-N,Trimethyl phosphate,COP(=O)(OC)OC,"InChI=1S/C3H9O4P/c1-5-8(4,6-2)7-3/h1-3H3",C3H9O4P,140.0238458
2233,Tribromobiphenyl,51202-79-0,DTXSID30199214,,Tribromobiphenyl Markush form,,,,,,
2234,"2,3,7,8-Tetrachlorodibenzofuran",51207-31-9,DTXSID3052147,39929,"2,3,7,8-Tetrachlorodibenzofuran",KSMVNVHUTQZITP-UHFFFAOYSA-N,"2,3,7,8-Tetrachlorodibenzo[b,d]furan",ClC1=CC2=C(C=C1Cl)C1=CC(Cl)=C(Cl)C=C1O2,InChI=1S/C12H4Cl4O/c13-7-1-5-6-2-8(14)10(16)4-12(6)17-11(5)3-9(7)15/h1-4H,C12H4Cl4O,303.9016255
2235,Metolachlor,51218-45-2,DTXSID4022448,4169,Metolachlor,WVQBLGZPHOPPFO-UHFFFAOYSA-N,2-Chloro-N-(2-ethyl-6-methylphenyl)-N-(1-methoxypropan-2-yl)acetamide,CCC1=C(N(C(C)COC)C(=O)CCl)C(C)=CC=C1,"InChI=1S/C15H22ClNO2/c1-5-13-8-6-7-11(2)15(13)17(14(18)9-16)12(3)10-19-4/h6-8,12H,5,9-10H2,1-4H3",C15H22ClNO2,283.1339067
2236,"1,1-Methylenebis(4-isocyanatocyclohexane)",5124-30-1,DTXSID3027588,21202,"1,1-Methylenebis(4-isocyanatocyclohexane)",KORSJDCBLAPZEQ-UHFFFAOYSA-N,"1,1'-Methylenebis(4-isocyanatocyclohexane)",O=C=NC1CCC(CC2CCC(CC2)N=C=O)CC1,"InChI=1S/C15H22N2O2/c18-10-16-14-5-1-12(2-6-14)9-13-3-7-15(8-4-13)17-11-19/h12-15H,1-9H2",C15H22N2O2,262.168128
2237,Glufosinate,51276-47-2,DTXSID0043973,4794,Glufosinate,IAJOBQBIJHVGMQ-UHFFFAOYSA-N,2-Amino-4-[hydroxy(methyl)phosphoryl]butanoic acid,CP(O)(=O)CCC(N)C(O)=O,"InChI=1S/C5H12NO4P/c1-11(9,10)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)(H,9,10)",C5H12NO4P,181.0503949
2238,Methyl 8-methylnonanoate,5129-54-4,DTXSID60609119,20619411,Methyl 8-methylnonanoate,UXZNAWMXEJTQCC-UHFFFAOYSA-N,Methyl 8-methylnonanoate,COC(=O)CCCCCCC(C)C,"InChI=1S/C11H22O2/c1-10(2)8-6-4-5-7-9-11(12)13-3/h10H,4-9H2,1-3H3",C11H22O2,186.1619799
2239,Methyl 10-methylundecanoate,5129-56-6,DTXSID20339162,554144,Methyl 10-methylundecanoate,XPVCTJYIICVJOE-UHFFFAOYSA-N,Methyl 10-methylundecanoate,COC(=O)CCCCCCCCC(C)C,"InChI=1S/C13H26O2/c1-12(2)10-8-6-4-5-7-9-11-13(14)15-3/h12H,4-11H2,1-3H3",C13H26O2,214.1932801
2240,Methyl 12-methyltridecanoate,5129-58-8,DTXSID20199288,21204,Methyl 12-methyltridecanoate,FLESKWMKPOBWDE-UHFFFAOYSA-N,Methyl 12-methyltridecanoate,COC(=O)CCCCCCCCCCC(C)C,"InChI=1S/C15H30O2/c1-14(2)12-10-8-6-4-5-7-9-11-13-15(16)17-3/h14H,4-13H2,1-3H3",C15H30O2,242.2245802
2241,"Pentadecanoic acid, 14-methyl-, methyl ester",5129-60-2,DTXSID80199289,21205,"Pentadecanoic acid, 14-methyl-, methyl ester",WAKCWJNDXBPEBP-UHFFFAOYSA-N,Methyl 14-methylpentadecanoate,COC(=O)CCCCCCCCCCCCC(C)C,"InChI=1S/C17H34O2/c1-16(2)14-12-10-8-6-4-5-7-9-11-13-15-17(18)19-3/h16H,4-15H2,1-3H3",C17H34O2,270.2558803
2242,Methyl 16-methylheptadecanoate,5129-61-3,DTXSID401027738,110444,Methyl 16-methylheptadecanoate,KDQIFKKWPMBNOH-UHFFFAOYSA-N,,COC(=O)CCCCCCCCCCCCCCC(C)C,"InChI=1S/C19H38O2/c1-18(2)16-14-12-10-8-6-4-5-7-9-11-13-15-17-19(20)21-3/h18H,4-17H2,1-3H3",C19H38O2,298.2871805
2243,Triisopropyl phosphate,513-02-0,DTXSID90199295,68188,Triisopropyl phosphate,OXFUXNFMHFCELM-UHFFFAOYSA-N,Tripropan-2-yl phosphate,CC(C)OP(=O)(OC(C)C)OC(C)C,"InChI=1S/C9H21O4P/c1-7(2)11-14(10,12-8(3)4)13-9(5)6/h7-9H,1-6H3",C9H21O4P,224.1177462
2244,Tripropyl phosphate,513-08-6,DTXSID4052712,10546,Tripropyl phosphate,RXPQRKFMDQNODS-UHFFFAOYSA-N,Tripropyl phosphate,CCCOP(=O)(OCCC)OCCC,"InChI=1S/C9H21O4P/c1-4-7-11-14(10,12-8-5-2)13-9-6-3/h4-9H2,1-3H3",C9H21O4P,224.1177462
2245,1-Butoxy-2-propanol,5131-66-8,DTXSID8027589,21210,1-Butoxy-2-propanol,RWNUSVWFHDHRCJ-UHFFFAOYSA-N,1-Butoxypropan-2-ol,CCCCOCC(C)O,"InChI=1S/C7H16O2/c1-3-4-5-9-6-7(2)8/h7-8H,3-6H2,1-2H3",C7H16O2,132.1150298
2246,Abietic acid,514-10-3,DTXSID7022047,10569,Abietic acid,RSWGJHLUYNHPMX-ONCXSQPRSA-N,"Abieta-7,13-dien-18-oic acid",[H][C@]12CCC(=CC1=CC[C@@]1([H])[C@@](C)(CCC[C@]21C)C(O)=O)C(C)C,"InChI=1S/C20H30O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h7,12-13,16-17H,5-6,8-11H2,1-4H3,(H,21,22)/t16-,17+,19+,20+/m0/s1",C20H30O2,302.2245802
2247,"(1S,4R,7R)-1,4,9,9-Tetramethyl-1,2,3,4,5,6,7,8-octahydro-4,7-methanoazulene",514-51-2,DTXSID7052153,12313993,"(1S,4R,7R)-1,4,9,9-Tetramethyl-1,2,3,4,5,6,7,8-octahydro-4,7-methanoazulene",CSKINCSXMLCMAR-RWSFTLGLSA-N,"(1S,4R,7R)-1,4,9,9-Tetramethyl-1,2,3,4,5,6,7,8-octahydro-4,7-methanoazulene",C[C@H]1CCC2=C1C[C@H]1CC[C@]2(C)C1(C)C,"InChI=1S/C15H24/c1-10-5-6-13-12(10)9-11-7-8-15(13,4)14(11,2)3/h10-11H,5-9H2,1-4H3/t10-,11+,15-/m0/s1",C15H24,204.1878008
2248,"Cyclohexene, 1,5,5-trimethyl-6-methylene-",514-95-4,DTXSID60342059,578237,"Cyclohexene, 1,5,5-trimethyl-6-methylene-",FMXKKHBXBBAQBC-UHFFFAOYSA-N,"1,5,5-Trimethyl-6-methylidenecyclohex-1-ene",CC1=CCCC(C)(C)C1=C,"InChI=1S/C10H16/c1-8-6-5-7-10(3,4)9(8)2/h6H,2,5,7H2,1,3-4H3",C10H16,136.1252005
2250,(-)-beta-Elemene,515-13-9,DTXSID60881211,6918391,(-)-beta-Elemene,OPFTUNCRGUEPRZ-QLFBSQMISA-N,"(1S,2S,4R)-1-Ethenyl-1-methyl-2,4-di(prop-1-en-2-yl)cyclohexane",CC(=C)[C@@H]1CC[C@@](C)(C=C)[C@@H](C1)C(C)=C,"InChI=1S/C15H24/c1-7-15(6)9-8-13(11(2)3)10-14(15)12(4)5/h7,13-14H,1-2,4,8-10H2,3,5-6H3/t13-,14+,15-/m1/s1",C15H24,204.1878008
2251,Neophyl chloride,515-40-2,DTXSID8027167,68191,Neophyl chloride,DNXXUUPUQXSUFH-UHFFFAOYSA-N,(1-Chloro-2-methylpropan-2-yl)benzene,CC(C)(CCl)C1=CC=CC=C1,"InChI=1S/C10H13Cl/c1-10(2,8-11)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3",C10H13Cl,168.0705781
2252,"1,6-heptadiene, 2-methyl-6-phenyl-",51708-97-5,DTXSID10880658,576233,"1,6-heptadiene, 2-methyl-6-phenyl-",ILKCXYUULZTOEX-UHFFFAOYSA-N,"(6-Methylhepta-1,6-dien-2-yl)benzene",CC(=C)CCCC(=C)C1=CC=CC=C1,"InChI=1S/C14H18/c1-12(2)8-7-9-13(3)14-10-5-4-6-11-14/h4-6,10-11H,1,3,7-9H2,2H3",C14H18,186.1408506
2253,"Butanoic acid, 2-ethyl-3-oxo-, methyl ester",51756-08-2,DTXSID00871398,103534,"Butanoic acid, 2-ethyl-3-oxo-, methyl ester",YXLVLOWNJCOOAU-UHFFFAOYSA-N,Methyl 2-ethyl-3-oxobutanoate,CCC(C(C)=O)C(=O)OC,"InChI=1S/C7H12O3/c1-4-6(5(2)8)7(9)10-3/h6H,4H2,1-3H3",C7H12O3,144.0786442
2254,"Z-9,11-Dodecadienyl acetate",51760-35-1,DTXSID601309966,5365606,"Z-9,11-Dodecadienyl acetate",ARPQLVHCERGNAB-PLNGDYQASA-N,"(9Z)-Dodeca-9,11-dien-1-yl acetate",CC(=O)OCCCCCCCC\C=C/C=C,"InChI=1S/C14H24O2/c1-3-4-5-6-7-8-9-10-11-12-13-16-14(2)15/h3-5H,1,6-13H2,2H3/b5-4-",C14H24O2,224.17763
2255,Tris(2-carboxyethyl)phosphine hydrochloride,51805-45-9,DTXSID10370367,2734570,Tris(2-carboxyethyl)phosphine hydrochloride (1:1),PBVAJRFEEOIAGW-UHFFFAOYSA-N,"3,3',3''-Phosphanetriyltripropanoic acid--hydrogen chloride (1/1)",Cl.OC(=O)CCP(CCC(O)=O)CCC(O)=O,"InChI=1S/C9H15O6P.ClH/c10-7(11)1-4-16(5-2-8(12)13)6-3-9(14)15;/h1-6H2,(H,10,11)(H,12,13)(H,14,15);1H",C9H16ClO6P,286.0373029
2256,"1-Octadecanaminium, N,N-dimethyl-N-octadecyl-, hydroxide (1:1) (ACI)",51822-75-4,,13318277,"1-Octadecanaminium, N,N-dimethyl-N-octadecyl-, hydroxide (1:1) (ACI)",VBVQYGNPGUXBIS-UHFFFAOYSA-M,dimethyl(dioctadecyl)azanium;hydroxide,[OH-].CCCCCCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCCCCCC,"InChI=1S/C38H80N.H2O/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39(3,4)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;/h5-38H2,1-4H3;1H2/q+1;/p-1",C38H81NO,567.632
2257,"Benzene, 1,3-dibromo-2-phenoxy-",51930-04-2,DTXSID00477016,12073147,"1,3-Dibromo-2-phenoxybenzene",MUVDKHMQIZJFTC-UHFFFAOYSA-N,"1,3-Dibromo-2-phenoxybenzene",BrC1=CC=CC(Br)=C1OC1=CC=CC=C1,InChI=1S/C12H8Br2O/c13-10-7-4-8-11(14)12(10)15-9-5-2-1-3-6-9/h1-8H,C12H8Br2O,325.894191
2258,"7,8-Dibromo-1,2,3,4,11,11-hexachloro-1,4,4a,5,6,7,8,9,10,10a-decahydro-1,4-methanobenzocyclooctene",51936-55-1,DTXSID80866227,93266,"7,8-Dibromo-1,2,3,4,11,11-hexachloro-1,4,4a,5,6,7,8,9,10,10a-decahydro-1,4-methanobenzocyclooctene",XRFONNJUMOCNHA-UHFFFAOYSA-N,"7,8-Dibromo-1,2,3,4,11,11-hexachloro-1,4,4a,5,6,7,8,9,10,10a-decahydro-1,4-methanobenzo[8]annulene",ClC1=C(Cl)C2(Cl)C3CCC(Br)C(Br)CCC3C1(Cl)C2(Cl)Cl,"InChI=1S/C13H12Br2Cl6/c14-7-3-1-5-6(2-4-8(7)15)12(19)10(17)9(16)11(5,18)13(12,20)21/h5-8H,1-4H2",C13H12Br2Cl6,535.743693
2259,"(9E,12Z)-9,12-Tetradecadien-1-ol",51937-00-9,DTXSID0041563,6436736,"(9E,12Z)-9,12-Tetradecadien-1-ol",IHRPKOQVBCPMQH-NDEAWQBTSA-N,"(9E,12Z)-Tetradeca-9,12-dien-1-ol",C\C=C/C\C=C\CCCCCCCCO,"InChI=1S/C14H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h2-3,5-6,15H,4,7-14H2,1H3/b3-2-,6-5+",C14H26O,210.1983655
2260,"5,6,11,17,19-Pentahydroxy-8-{[hydroxy(4-methylpiperazin-1-yl)amino]methylidene}-23-methoxy-2,4,12,16,18,20,22-heptamethyl-1,9-dioxo-1,2,8,9-tetrahydro-2,7-(epoxypentadeca[1,11,13]trien[1]yl[15]ylideneazeno)naphtho[2,1-b]furan-21-yl acetate",51963-55-4,DTXSID20966290,,"5,6,11,17,19-Pentahydroxy-8-{[hydroxy(4-methylpiperazin-1-yl)amino]methylidene}-23-methoxy-2,4,12,16,18,20,22-heptamethyl-1,9-dioxo-1,2,8,9-tetrahydro-2,7-(epoxypentadeca[1,11,13]trien[1]yl[15]ylideneazeno)naphtho[2,1-b]furan-21-yl acetate",KCQOVEKQXVJLSR-GHGVGPBWSA-N,"(2S,16S,17S,20R,21S,22R,23S)-5,6,11,17,19-Pentahydroxy-8-{[hydroxy(4-methylpiperazin-1-yl)amino]methylidene}-23-methoxy-2,4,12,16,18,20,22-heptamethyl-1,9-dioxo-1,2,8,9-tetrahydro-2,7-(epoxypentadeca[1,11,13]trien[1]yl[15]ylideneazeno)naphtho[2,1-b]furan-21-yl acetate",[H]C(N(O)N1CCN(C)CC1)=C1C(=O)C2=C3C(O)=C(C)C4=C2C(=O)[C@](C)(O4)OC([H])=C([H])[C@]([H])(OC)[C@@]([H])(C)[C@@]([H])(OC(C)=O)[C@]([H])(C)[C@]([H])(O)[C@]([H])(C)[C@@]([H])(O)[C@@]([H])(C)C([H])=C([H])C([H])=C(C)C(O)=NC1=C3O,"InChI=1S/C43H58N4O13/c1-21-12-11-13-22(2)42(55)44-33-28(20-47(56)46-17-15-45(9)16-18-46)37(52)30-31(38(33)53)36(51)26(6)40-32(30)41(54)43(8,60-40)58-19-14-29(57-10)23(3)39(59-27(7)48)25(5)35(50)24(4)34(21)49/h11-14,19-21,23-25,29,34-35,39,49-51,53,56H,15-18H2,1-10H3,(H,44,55)/t21-,23+,24+,25+,29-,34-,35+,39+,43-/m0/s1",C43H58N4O13,838.4000379
2261,(-)-beta-bourbonene,5208-59-3,DTXSID20881212,138395749,(-)-beta-bourbonene,YIRAHEODBQONHI-BTFPBAQTSA-N,"(1S,3aR,3bS,6aS,6bR)-3a-Methyl-6-methylidene-1-(propan-2-yl)decahydrocyclobuta[1,2-a:3,4-a']dicyclopentene",CC(C)[C@@H]1CC[C@]2(C)[C@H]3CCC(=C)[C@@H]3[C@@H]12,"InChI=1S/C15H24/c1-9(2)11-7-8-15(4)12-6-5-10(3)13(12)14(11)15/h9,11-14H,3,5-8H2,1-2,4H3/t11-,12-,13-,14+,15+/m0/s1",C15H24,204.1878008
2263,2-Methyl-1-tetradecene,52254-38-3,DTXSID00334630,521375,2-Methyl-1-tetradecene,WSNMNSLVXDWAFZ-UHFFFAOYSA-N,2-Methyltetradec-1-ene,CCCCCCCCCCCCC(C)=C,"InChI=1S/C15H30/c1-4-5-6-7-8-9-10-11-12-13-14-15(2)3/h2,4-14H2,1,3H3",C15H30,210.234751
2264,"3H-Oxazolo[3,4-a]pyridine, hexahydro-1-[2-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-4-pyridinyl]-, cis- (9CI)",52300-90-0,,,"3H-Oxazolo[3,4-a]pyridine, hexahydro-1-[2-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-4-pyridinyl]-, cis- (9CI)",BUKJTEPMNCQYNQ-AWMLGPFDNA-N,,FC(F)(F)C1=NC(=CC(=C1)C2OCN3CCCCC32)C=4C=CC(=CC4)C(F)(F)F,"InChI=1S/C20H18F6N2O/c21-19(22,23)14-6-4-12(5-7-14)15-9-13(10-17(27-15)20(24,25)26)18-16-3-1-2-8-28(16)11-29-18/h4-7,9-10,16,18H,1-3,8,11H2",,
2265,Cypermethrin,52315-07-8,DTXSID1023998,2912,Cypermethrin,KAATUXNTWXVJKI-UHFFFAOYSA-N,"Cyano(3-phenoxyphenyl)methyl 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate",CC1(C)C(C=C(Cl)Cl)C1C(=O)OC(C#N)C1=CC=CC(OC2=CC=CC=C2)=C1,"InChI=1S/C22H19Cl2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3",C22H19Cl2NO3,415.0741989
2266,"Ethyl 2-cyano-3,3-diphenylacrylate",5232-99-5,DTXSID9044821,243274,"Ethyl 2-cyano-3,3-diphenylacrylate",IAJNXBNRYMEYAZ-UHFFFAOYSA-N,"Ethyl 2-cyano-3,3-diphenylprop-2-enoate",CCOC(=O)C(C#N)=C(C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C18H15NO2/c1-2-21-18(20)16(13-19)17(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12H,2H2,1H3",C18H15NO2,277.1102787
2267,Methyl 11-octadecenoate,52380-33-3,,74738,Methyl 11-octadecenoate,PVVODBCDJBGMJL-UHFFFAOYSA-N,methyl octadec-11-enoate,O=C(OC)CCCCCCCCCC=CCCCCCC,"InChI=1S/C19H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h8-9H,3-7,10-18H2,1-2H3",C19H36O2,296.272
2268,Lanostan-12-one (9CI),52474-77-8,,22295637,Lanostan-12-one (9CI),VSEMVPGMSMYDDS-SLCLMHGRSA-N,"(5S,8R,9S,10R,13R,14S,17R)-4,4,10,13,14-pentamethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,5,6,7,8,9,11,15,16,17-dodecahydrocyclopenta[a]phenanthren-12-one",O=C1CC2C(CCC3C(C)(C)CCCC23C)C4(C)CCC(C(C)CCCC(C)C)C14C,"InChI=1S/C30H52O/c1-20(2)11-9-12-21(3)22-15-18-29(7)23-13-14-25-27(4,5)16-10-17-28(25,6)24(23)19-26(31)30(22,29)8/h20-25H,9-19H2,1-8H3",C30H52O,428.402
2269,"1-Butanol, 2-methyl-, 1-benzoate",52513-03-8,DTXSID00866269,103653,"1-Butanol, 2-methyl-, 1-benzoate",PYZHESNNAPENLQ-UHFFFAOYSA-N,2-Methylbutyl benzoate,CCC(C)COC(=O)C1=CC=CC=C1,"InChI=1S/C12H16O2/c1-3-10(2)9-14-12(13)11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3",C12H16O2,192.1150298
2270,"Phosphoric acid, 2-methylphenyl diphenyl ester",5254-12-6,DTXSID70200530,520263,"Phosphoric acid, 2-methylphenyl diphenyl ester",XMNDMAQKWSQVOV-UHFFFAOYSA-N,2-Methylphenyl diphenyl phosphate,CC1=CC=CC=C1OP(=O)(OC1=CC=CC=C1)OC1=CC=CC=C1,"InChI=1S/C19H17O4P/c1-16-10-8-9-15-19(16)23-24(20,21-17-11-4-2-5-12-17)22-18-13-6-3-7-14-18/h2-15H,1H3",C19H17O4P,340.086446
2271,p-Menth-2-ene,5256-65-5,DTXSID30333757,517974,p-Menth-2-ene,WHNGPXQYYRWQAS-UHFFFAOYSA-N,3-Methyl-6-(propan-2-yl)cyclohex-1-ene,CC(C)C1CCC(C)C=C1,"InChI=1S/C10H18/c1-8(2)10-6-4-9(3)5-7-10/h4,6,8-10H,5,7H2,1-3H3",C10H18,138.1408506
2272,"1,2,3-Trimethylbenzene",526-73-8,DTXSID8047769,10686,"1,2,3-Trimethylbenzene",FYGHSUNMUKGBRK-UHFFFAOYSA-N,"1,2,3-Trimethylbenzene",CC1=CC=CC(C)=C1C,"InChI=1S/C9H12/c1-7-5-4-6-8(2)9(7)3/h4-6H,1-3H3",C9H12,120.0939004
2273,Permethrin,52645-53-1,DTXSID8022292,40326,Permethrin,RLLPVAHGXHCWKJ-UHFFFAOYSA-N,"(3-Phenoxyphenyl)methyl 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate",CC1(C)C(C=C(Cl)Cl)C1C(=O)OCC1=CC(OC2=CC=CC=C2)=CC=C1,"InChI=1S/C21H20Cl2O3/c1-21(2)17(12-18(22)23)19(21)20(24)25-13-14-7-6-10-16(11-14)26-15-8-4-3-5-9-15/h3-12,17,19H,13H2,1-2H3",C21H20Cl2O3,390.0789499
2274,"2,2',3,5,5',6-Hexachlorobiphenyl",52663-63-5,DTXSID2074160,40471,"2,2',3,5,5',6-Hexachlorobiphenyl",UHCLFIWDCYOTOL-UHFFFAOYSA-N,"2,2',3,5,5',6-Hexachloro-1,1'-biphenyl",ClC1=CC(=C(Cl)C=C1)C1=C(Cl)C(Cl)=CC(Cl)=C1Cl,InChI=1S/C12H4Cl6/c13-5-1-2-7(14)6(3-5)10-11(17)8(15)4-9(16)12(10)18/h1-4H,C12H4Cl6,357.8444163
2275,"2,2',3,4',5,5',6-Heptachlorobiphenyl",52663-68-0,DTXSID5052832,40475,"2,2',3,4',5,5',6-Heptachlorobiphenyl",UDMZPLROONOSEF-UHFFFAOYSA-N,"2,2',3,4',5,5',6-Heptachloro-1,1'-biphenyl",ClC1=CC(Cl)=C(C=C1Cl)C1=C(Cl)C(Cl)=CC(Cl)=C1Cl,InChI=1S/C12H3Cl7/c13-5-2-7(15)6(14)1-4(5)10-11(18)8(16)3-9(17)12(10)19/h1-3H,C12H3Cl7,391.805444
2276,"2,2',3,3',4,5,6,6'-Octachlorobiphenyl",52663-73-7,DTXSID2074166,40480,"2,2',3,3',4,5,6,6'-Octachlorobiphenyl",HHXNVASVVVNNDG-UHFFFAOYSA-N,"2,2',3,3',4,5,6,6'-Octachloro-1,1'-biphenyl",ClC1=CC=C(Cl)C(=C1Cl)C1=C(Cl)C(Cl)=C(Cl)C(Cl)=C1Cl,InChI=1S/C12H2Cl8/c13-3-1-2-4(14)7(15)5(3)6-8(16)10(18)12(20)11(19)9(6)17/h1-2H,C12H2Cl8,425.7664717
2277,"2,2',3,3',4,4',5,6-Octachlorobiphenyl",52663-78-2,DTXSID1074171,40485,"2,2',3,3',4,4',5,6-Octachlorobiphenyl",JAHJITLFJSDRCG-UHFFFAOYSA-N,"2,2',3,3',4,4',5,6-Octachloro-1,1'-biphenyl",ClC1=C(Cl)C(Cl)=C(C=C1)C1=C(Cl)C(Cl)=C(Cl)C(Cl)=C1Cl,InChI=1S/C12H2Cl8/c13-4-2-1-3(6(14)7(4)15)5-8(16)10(18)12(20)11(19)9(5)17/h1-2H,C12H2Cl8,425.7664717
2278,"octane, 2,3,6,7-tetramethyl-",52670-34-5,DTXSID60880744,537765,"octane, 2,3,6,7-tetramethyl-",FZCGYGCYZRXLDY-UHFFFAOYSA-N,"2,3,6,7-Tetramethyloctane",CC(C)C(C)CCC(C)C(C)C,"InChI=1S/C12H26/c1-9(2)11(5)7-8-12(6)10(3)4/h9-12H,7-8H2,1-6H3",C12H26,170.2034508
2279,Pentachloroaniline,527-20-8,DTXSID4037584,10693,Pentachloroaniline,KHCZSJXTDDHLGJ-UHFFFAOYSA-N,Pentachloroaniline,NC1=C(Cl)C(Cl)=C(Cl)C(Cl)=C1Cl,InChI=1S/C6H2Cl5N/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H2,C6H2Cl5N,262.8629876
2280,"2,6-Dimethyl-1,4-benzoquinone",527-61-7,DTXSID00200664,68241,"2,6-Dimethyl-1,4-benzoquinone",SENUUPBBLQWHMF-UHFFFAOYSA-N,"2,6-Dimethylcyclohexa-2,5-diene-1,4-dione",CC1=CC(=O)C=C(C)C1=O,"InChI=1S/C8H8O2/c1-5-3-7(9)4-6(2)8(5)10/h3-4H,1-2H3",C8H8O2,136.0524295
2281,1-Isopropyl-2-methylbenzene,527-84-4,DTXSID1052165,10703,1-Isopropyl-2-methylbenzene,WWRCMNKATXZARA-UHFFFAOYSA-N,1-Methyl-2-(propan-2-yl)benzene,CC(C)C1=C(C)C=CC=C1,"InChI=1S/C10H14/c1-8(2)10-7-5-4-6-9(10)3/h4-8H,1-3H3",C10H14,134.1095505
2282,Tetraethylene glycol monododecyl ether,5274-68-0,DTXSID3063752,78933,Tetraethylene glycol monododecyl ether,WPMWEFXCIYCJSA-UHFFFAOYSA-N,"3,6,9,12-Tetraoxatetracosan-1-ol",CCCCCCCCCCCCOCCOCCOCCOCCO,"InChI=1S/C20H42O5/c1-2-3-4-5-6-7-8-9-10-11-13-22-15-17-24-19-20-25-18-16-23-14-12-21/h21H,2-20H2,1H3",C20H42O5,362.3032245
2283,"3,6,9,12,15-Pentaoxaheptadecane-1,17-diol, hexamethyl-",52794-80-6,DTXSID30200773,6452727,"3,6,9,12,15-Pentaoxaheptadecane-1,17-diol, hexamethyl-",CLIPKFOCBNSYQO-UHFFFAOYSA-N,"14,14,16,16,17-Pentamethyl-3,6,9,12,15-pentaoxaoctadecane-1,17-diol",CC(C)(COCCOCCOCCOCCO)OC(C)(C)C(C)(C)O,"InChI=1S/C18H38O7/c1-16(2,25-18(5,6)17(3,4)20)15-24-14-13-23-12-11-22-10-9-21-8-7-19/h19-20H,7-15H2,1-6H3",C18H38O7,366.2617536
2284,"3-Buten-1-one, 3-methyl-1-phenyl-",52813-35-1,DTXSID60434069,10012180,"3-Buten-1-one, 3-methyl-1-phenyl-",FKSAYGREWVVCIZ-UHFFFAOYSA-N,3-Methyl-1-phenylbut-3-en-1-one,CC(=C)CC(=O)C1=CC=CC=C1,"InChI=1S/C11H12O/c1-9(2)8-11(12)10-6-4-3-5-7-10/h3-7H,1,8H2,2H3",C11H12O,160.088815
2285,"Bis(2,2,6,6-tetramethyl-4-piperidyl) sebacate",52829-07-9,DTXSID0028030,164282,"Bis(2,2,6,6-tetramethyl-4-piperidyl) sebacate",XITRBUPOXXBIJN-UHFFFAOYSA-N,"Bis(2,2,6,6-tetramethylpiperidin-4-yl) decanedioate",CC1(C)CC(CC(C)(C)N1)OC(=O)CCCCCCCCC(=O)OC1CC(C)(C)NC(C)(C)C1,"InChI=1S/C28H52N2O4/c1-25(2)17-21(18-26(3,4)29-25)33-23(31)15-13-11-9-10-12-14-16-24(32)34-22-19-27(5,6)30-28(7,8)20-22/h21-22,29-30H,9-20H2,1-8H3",C28H52N2O4,480.3927082
2286,"hexane, 3-ethyl-2,5-dimethyl-",52897-04-8,DTXSID20871411,521421,"hexane, 3-ethyl-2,5-dimethyl-",UJEUVDLASLOZIV-UHFFFAOYSA-N,"3-Ethyl-2,5-dimethylhexane",CCC(CC(C)C)C(C)C,"InChI=1S/C10H22/c1-6-10(9(4)5)7-8(2)3/h8-10H,6-7H2,1-5H3",C10H22,142.1721507
2287,"Dibenz[a,h]anthracene",53-70-3,DTXSID9020409,5889,"Dibenz[a,h]anthracene",LHRCREOYAASXPZ-UHFFFAOYSA-N,Benzo[k]tetraphene,C1=CC2=CC=C3C=C4C(C=CC5=CC=CC=C45)=CC3=C2C=C1,InChI=1S/C22H14/c1-3-7-19-15(5-1)9-11-17-14-22-18(13-21(17)19)12-10-16-6-2-4-8-20(16)22/h1-14H,C22H14,278.1095505
2288,"2H-1-Benzopyran-2-one, 7-methoxy-",531-59-9,DTXSID5060196,10748,"2H-1-Benzopyran-2-one, 7-methoxy-",LIIALPBMIOVAHH-UHFFFAOYSA-N,7-Methoxy-2H-1-benzopyran-2-one,COC1=CC=C2C=CC(=O)OC2=C1,"InChI=1S/C10H8O3/c1-12-8-4-2-7-3-5-10(11)13-9(7)6-8/h2-6H,1H3",C10H8O3,176.0473441
2289,Pyrimethanil,53112-28-0,DTXSID8034877,91650,Pyrimethanil,ZLIBICFPKPWGIZ-UHFFFAOYSA-N,"4,6-Dimethyl-N-phenylpyrimidin-2-amine",CC1=CC(C)=NC(NC2=CC=CC=C2)=N1,"InChI=1S/C12H13N3/c1-9-8-10(2)14-12(13-9)15-11-6-4-3-5-7-11/h3-8H,1-2H3,(H,13,14,15)",C12H13N3,199.1109474
2290,"Carbamodithioic acid, diethyl-, 1-heptadecyl-2-oxononadecyl ester (9CI)",531524-70-6,,85833004,"Carbamodithioic acid, diethyl-, 1-heptadecyl-2-oxononadecyl ester (9CI)",CZUYWIZNUARENY-UHFFFAOYSA-N,"19-oxohexatriacontan-18-yl N,N-diethylcarbamodithioate",O=C(CCCCCCCCCCCCCCCCC)C(SC(=S)N(CC)CC)CCCCCCCCCCCCCCCCC,"InChI=1S/C41H81NOS2/c1-5-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39(43)40(45-41(44)42(7-3)8-4)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-6-2/h40H,5-38H2,1-4H3",C41H81NOS2,667.576
2291,Benzoyl isothiocyanate,532-55-8,DTXSID00201257,68284,Benzoyl isothiocyanate,CPEKAXYCDKETEN-UHFFFAOYSA-N,Benzoyl isothiocyanate,O=C(N=C=S)C1=CC=CC=C1,InChI=1S/C8H5NOS/c10-8(9-6-11)7-4-2-1-3-5-7/h1-5H,C8H5NOS,163.009185
2292,Nordehydroabietane,5323-56-8,DTXSID40277537,220273,Nordehydroabietane,DAYLDISWSXEJLN-UHFFFAOYSA-N,"1,4a-Dimethyl-7-(propan-2-yl)-1,2,3,4,4a,9,10,10a-octahydrophenanthrene",CC(C)C1=CC2=C(C=C1)C1(C)CCCC(C)C1CC2,"InChI=1S/C19H28/c1-13(2)15-7-10-18-16(12-15)8-9-17-14(3)6-5-11-19(17,18)4/h7,10,12-14,17H,5-6,8-9,11H2,1-4H3",C19H28,256.2191009
2293,Bis(2-propylheptyl) phthalate,53306-54-0,DTXSID5052173,92344,Bis(2-propylheptyl) phthalate,MTYUOIVEVPTXFX-UHFFFAOYSA-N,"Bis(2-propylheptyl) benzene-1,2-dicarboxylate",CCCCCC(CCC)COC(=O)C1=C(C=CC=C1)C(=O)OCC(CCC)CCCCC,"InChI=1S/C28H46O4/c1-5-9-11-17-23(15-7-3)21-31-27(29)25-19-13-14-20-26(25)28(30)32-22-24(16-8-4)18-12-10-6-2/h13-14,19-20,23-24H,5-12,15-18,21-22H2,1-4H3",C28H46O4,446.33961
2294,1-tert-Butyl-4-phenoxybenzene,5331-28-2,DTXSID60277413,220048,1-tert-Butyl-4-phenoxybenzene,REZBJCUQELMZBL-UHFFFAOYSA-N,1-tert-Butyl-4-phenoxybenzene,CC(C)(C)C1=CC=C(OC2=CC=CC=C2)C=C1,"InChI=1S/C16H18O/c1-16(2,3)13-9-11-15(12-10-13)17-14-7-5-4-6-8-14/h4-12H,1-3H3",C16H18O,226.1357652
2295,"2,5-Pyrrolidinedione, 1-pentyl- (9CI)",5332-35-4,DTXSID10201465,79245,"2,5-Pyrrolidinedione, 1-pentyl- (9CI)",NEQDNPLLVJBQNJ-UHFFFAOYSA-N,"1-Pentylpyrrolidine-2,5-dione",CCCCCN1C(=O)CCC1=O,"InChI=1S/C9H15NO2/c1-2-3-4-7-10-8(11)5-6-9(10)12/h2-7H2,1H3",C9H15NO2,169.1102787
2296,1-Methyl-2-[(1E)-1-methyl-2-phenylethenyl]benzene (ACI),53423-29-3,,5375332,1-Methyl-2-[(1E)-1-methyl-2-phenylethenyl]benzene (ACI),FBDFQOWEJJZDCO-WYMLVPIESA-N,1-methyl-2-[(E)-1-phenylprop-1-en-2-yl]benzene,C=1C=CC(=CC1)C=C(C=2C=CC=CC2C)C,"InChI=1S/C16H16/c1-13-8-6-7-11-16(13)14(2)12-15-9-4-3-5-10-15/h3-12H,1-2H3",C16H16,208.125
2297,"Dodeca-3,5-dien-2-one",53434-78-9,DTXSID50709637,54187483,"Dodeca-3,5-dien-2-one",PGCDECOMYMHRMC-UHFFFAOYSA-N,"Dodeca-3,5-dien-2-one",CCCCCCC=CC=CC(C)=O,"InChI=1S/C12H20O/c1-3-4-5-6-7-8-9-10-11-12(2)13/h8-11H,3-7H2,1-2H3",C12H20O,180.1514153
2298,Polychlorinated benzenes,53466-72-1,DTXSID90107850,,Polystream,,,,,,
2299,Octadecyl chloroacetate,5348-82-3,DTXSID50201666,79299,Octadecyl chloroacetate,HDNSRULOUMXYKG-UHFFFAOYSA-N,Octadecyl chloroacetate,CCCCCCCCCCCCCCCCCCOC(=O)CCl,"InChI=1S/C20H39ClO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-20(22)19-21/h2-19H2,1H3",C20H39ClO2,346.2638582
2300,1-Methyl-1H-benzimidazole-5-carbonitrile,53484-13-2,DTXSID90611407,21217353,1-Methyl-1H-benzimidazole-5-carbonitrile,PJHYDBVFHHMVCS-UHFFFAOYSA-N,1-Methyl-1H-benzimidazole-5-carbonitrile,CN1C=NC2=C1C=CC(=C2)C#N,"InChI=1S/C9H7N3/c1-12-6-11-8-4-7(5-10)2-3-9(8)12/h2-4,6H,1H3",C9H7N3,157.0639972
2301,m-Cymene,535-77-3,DTXSID2060206,10812,m-Cymene,XCYJPXQACVEIOS-UHFFFAOYSA-N,1-Methyl-3-(propan-2-yl)benzene,CC(C)C1=CC(C)=CC=C1,"InChI=1S/C10H14/c1-8(2)10-6-4-5-9(3)7-10/h4-8H,1-3H3",C10H14,134.1095505
2302,Dibromodiphenyl ether,53563-56-7,DTXSID10201783,,Dibromodiphenyl ether,,,,,,
2303,"Piperazine, 1,4-bis(1-oxooctadecyl)-",53575-22-7,DTXSID10338609,550164,"Piperazine, 1,4-bis(1-oxooctadecyl)-",SBZUEZTWHOASHE-UHFFFAOYSA-N,"1,1'-(Piperazine-1,4-diyl)di(octadecan-1-one)",CCCCCCCCCCCCCCCCCC(=O)N1CCN(CC1)C(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C40H78N2O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-39(43)41-35-37-42(38-36-41)40(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-38H2,1-2H3",C40H78N2O2,618.6063298
2304,3-Methoxy-2-butanol,53778-72-6,DTXSID40338233,547790,3-Methoxy-2-butanol,HJHFJCUIVDTESF-UHFFFAOYSA-N,3-Methoxybutan-2-ol,COC(C)C(C)O,"InChI=1S/C5H12O2/c1-4(6)5(2)7-3/h4-6H,1-3H3",C5H12O2,104.0837296
2305,Tricaprylin,538-23-8,DTXSID6021375,10850,Tricaprylin,VLPFTAMPNXLGLX-UHFFFAOYSA-N,"Propane-1,2,3-triyl trioctanoate",CCCCCCCC(=O)OCC(COC(=O)CCCCCCC)OC(=O)CCCCCCC,"InChI=1S/C27H50O6/c1-4-7-10-13-16-19-25(28)31-22-24(33-27(30)21-18-15-12-9-6-3)23-32-26(29)20-17-14-11-8-5-2/h24H,4-23H2,1-3H3",C27H50O6,470.3607393
2306,Pentylbenzene,538-68-1,DTXSID6022054,10864,Pentylbenzene,PWATWSYOIIXYMA-UHFFFAOYSA-N,Pentylbenzene,CCCCCC1=CC=CC=C1,"InChI=1S/C11H16/c1-2-3-5-8-11-9-6-4-7-10-11/h4,6-7,9-10H,2-3,5,8H2,1H3",C11H16,148.1252005
2307,"trans,trans-1,4-Diphenyl-1,3-butadiene",538-81-8,DTXSID3022459,641683,"trans,trans-1,4-Diphenyl-1,3-butadiene",JFLKFZNIIQFQBS-FNCQTZNRSA-N,"1,1'-[(1E,3E)-Buta-1,3-diene-1,4-diyl]dibenzene",C(\C=C\C1=CC=CC=C1)=C/C1=CC=CC=C1,"InChI=1S/C16H14/c1-3-9-15(10-4-1)13-7-8-14-16-11-5-2-6-12-16/h1-14H/b13-7+,14-8+",C16H14,206.1095505
2308,Isobutylbenzene,538-93-2,DTXSID6027181,10870,Isobutylbenzene,KXUHSQYYJYAXGZ-UHFFFAOYSA-N,(2-Methylpropyl)benzene,CC(C)CC1=CC=CC=C1,"InChI=1S/C10H14/c1-9(2)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3",C10H14,134.1095505
2309,"3,7-Dimethyl-2,6-octadienal",5392-40-5,DTXSID6024836,8843,"3,7-Dimethyl-2,6-octadienal",WTEVQBCEXWBHNA-UHFFFAOYSA-N,"3,7-Dimethylocta-2,6-dienal",CC(C)=CCCC(C)=CC=O,"InChI=1S/C10H16O/c1-9(2)5-4-6-10(3)7-8-11/h5,7-8H,4,6H2,1-3H3",C10H16O,152.1201151
2310,"Benzene, 1-ethoxy-2-isocyanato-",5395-71-1,DTXSID8063832,79374,"Benzene, 1-ethoxy-2-isocyanato-",BUIQXUQLYZPMLS-UHFFFAOYSA-N,1-Ethoxy-2-isocyanatobenzene,CCOC1=C(C=CC=C1)N=C=O,"InChI=1S/C9H9NO2/c1-2-12-9-6-4-3-5-8(9)10-7-11/h3-6H,2H2,1H3",C9H9NO2,163.0633285
2311,Heptadecanenitrile,5399-02-0,DTXSID90873467,79388,Heptadecanenitrile,ZXPWFWWSCFIFII-UHFFFAOYSA-N,Heptadecanenitrile,CCCCCCCCCCCCCCCCC#N,"InChI=1S/C17H33N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18/h2-16H2,1H3",C17H33N,251.2613001
2312,"1,2-Dichloroethylene",540-59-0,DTXSID8024991,10900,"1,2-Dichloroethylene",KFUSEUYYWQURPO-UHFFFAOYSA-N,"1,2-Dichloroethene",ClC=CCl,InChI=1S/C2H2Cl2/c3-1-2-4/h1-2H,C2H2Cl2,95.9533555
2313,tert-Butyl acetate,540-88-5,DTXSID1022055,10908,tert-Butyl acetate,WMOVHXAZOJBABW-UHFFFAOYSA-N,tert-Butyl acetate,CC(=O)OC(C)(C)C,"InChI=1S/C6H12O2/c1-5(7)8-6(2,3)4/h1-4H3",C6H12O2,116.0837296
2314,Dodecamethylcyclohexasiloxane,540-97-6,DTXSID6027183,10911,Dodecamethylcyclohexasiloxane,IUMSDRXLFWAGNT-UHFFFAOYSA-N,Dodecamethylcyclohexasiloxane,C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1,"InChI=1S/C12H36O6Si6/c1-19(2)13-20(3,4)15-22(7,8)17-24(11,12)18-23(9,10)16-21(5,6)14-19/h1-12H3",C12H36O6Si6,444.1127481
2315,2-(5-Methylhexyl)-3-octyloxirane (ACI),54034-65-0,,549785,2-(5-Methylhexyl)-3-octyloxirane (ACI),QVIBKECDBFIZNV-UHFFFAOYSA-N,2-(5-methylhexyl)-3-octyloxirane,O1C(CCCCCCCC)C1CCCCC(C)C,"InChI=1S/C17H34O/c1-4-5-6-7-8-9-13-16-17(18-16)14-11-10-12-15(2)3/h15-17H,4-14H2,1-3H3",C17H34O,254.261
2316,"Benzenamine, 3-ethynyl-",54060-30-9,DTXSID30885746,104682,"Benzenamine, 3-ethynyl-",NNKQLUVBPJEUOR-UHFFFAOYSA-N,3-Ethynylaniline,NC1=CC=CC(=C1)C#C,"InChI=1S/C8H7N/c1-2-7-4-3-5-8(9)6-7/h1,3-6H,9H2",C8H7N,117.0578492
2317,"3,4-Dihydro-3,3,6,8-tetramethylnaphthalen-1(2H)-one",5409-55-2,DTXSID40202420,79420,"3,4-Dihydro-3,3,6,8-tetramethylnaphthalen-1(2H)-one",SHSYEGQDGZAMNV-UHFFFAOYSA-N,"3,3,6,8-Tetramethyl-3,4-dihydronaphthalen-1(2H)-one",CC1=CC(C)=C2C(=O)CC(C)(C)CC2=C1,"InChI=1S/C14H18O/c1-9-5-10(2)13-11(6-9)7-14(3,4)8-12(13)15/h5-6H,7-8H2,1-4H3",C14H18O,202.1357652
2318,Decamethylcyclopentasiloxane,541-02-6,DTXSID1027184,10913,Decamethylcyclopentasiloxane,XMSXQFUHVRWGNA-UHFFFAOYSA-N,"2,2,4,4,6,6,8,8,10,10-Decamethyl-1,3,5,7,9,2,4,6,8,10-pentoxapentasilecane",C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1,"InChI=1S/C10H30O5Si5/c1-16(2)11-17(3,4)13-19(7,8)15-20(9,10)14-18(5,6)12-16/h1-10H3",C10H30O5Si5,370.0939567
2319,Hexamethylcyclotrisiloxane,541-05-9,DTXSID6027185,10914,Hexamethylcyclotrisiloxane,HTDJPCNNEPUOOQ-UHFFFAOYSA-N,"2,2,4,4,6,6-Hexamethyl-1,3,5,2,4,6-trioxatrisilinane",C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O1,"InChI=1S/C6H18O3Si3/c1-10(2)7-11(3,4)9-12(5,6)8-10/h1-6H3",C6H18O3Si3,222.056374
2320,Butanamide,541-35-5,DTXSID8060248,10927,Butanamide,DNSISZSEWVHGLH-UHFFFAOYSA-N,Butanamide,CCCC(N)=O,"InChI=1S/C4H9NO/c1-2-3-4(5)6/h2-3H2,1H3,(H2,5,6)",C4H9NO,87.06841391
2321,"1,3-Dichlorobenzene",541-73-1,DTXSID6022056,10943,"1,3-Dichlorobenzene",ZPQOPVIELGIULI-UHFFFAOYSA-N,"1,3-Dichlorobenzene",ClC1=CC(Cl)=CC=C1,InChI=1S/C6H4Cl2/c7-5-2-1-3-6(8)4-5/h1-4H,C6H4Cl2,145.9690055
2322,"2,6-Dimethylheptadecane",54105-67-8,DTXSID00866401,545603,"2,6-Dimethylheptadecane",RHDKKTYWDZUSCS-UHFFFAOYSA-N,"2,6-Dimethylheptadecane",CCCCCCCCCCCC(C)CCCC(C)C,"InChI=1S/C19H40/c1-5-6-7-8-9-10-11-12-13-16-19(4)17-14-15-18(2)3/h18-19H,5-17H2,1-4H3",C19H40,268.3130013
2323,"Benzene, 1-ethyl-2,3,5-trimethyl-",54120-62-6,DTXSID00202466,,"Ethyl-1,2,4-trimethylbenzene",,,,,,
2324,(2R)-N4-Hydroxy-N1-[(1S)-2-methyl-1-(1-pyrrolidinylcarbonyl)propyl]-2-pentylbutanediamide (ACI),54124-71-9,,,(2R)-N4-Hydroxy-N1-[(1S)-2-methyl-1-(1-pyrrolidinylcarbonyl)propyl]-2-pentylbutanediamide (ACI),SEGHJCVSDDKCJQ-ZBFHGGJFSA-N,,O=C(NO)CC(C(=O)NC(C(=O)N1CCCC1)C(C)C)CCCCC,"InChI=1S/C18H33N3O4/c1-4-5-6-9-14(12-15(22)20-25)17(23)19-16(13(2)3)18(24)21-10-7-8-11-21/h13-14,16,25H,4-12H2,1-3H3,(H,19,23)(H,20,22)",,
2325,Jasmacyclen,5413-60-5,DTXSID4029270,110655,Jasmacyclen,RGVQNSFGUOIKFF-UHFFFAOYSA-N,"3a,4,5,6,7,7a-Hexahydro-1H-4,7-methanoinden-6-yl acetate",CC(=O)OC1CC2CC1C1CC=CC21,"InChI=1S/C12H16O2/c1-7(13)14-12-6-8-5-11(12)10-4-2-3-9(8)10/h2-3,8-12H,4-6H2,1H3",C12H16O2,192.1150298
2326,"1,2,3,3a,4,4a,5,7a,8,8a-Decahydro-s-indacene (ACI)",54158-71-3,,129808945,"1,2,3,3a,4,4a,5,7a,8,8a-Decahydro-s-indacene (ACI)",QMAPDLRLBDPMRM-UHFFFAOYSA-N,"1,2,3,3a,4,4a,5,7a,8,8a-decahydro-s-indacene",C1=CC2CC3CCCC3CC2C1,"InChI=1S/C12H18/c1-3-9-7-11-5-2-6-12(11)8-10(9)4-1/h1,3,9-12H,2,4-8H2",C12H18,162.141
2327,"1,6,10,14,18,22-tetracosahexaen-3-ol, 2,6,10,15,19,23-hexamethyl-, (all-e)-",54159-46-5,DTXSID00880682,5366014,"1,6,10,14,18,22-tetracosahexaen-3-ol, 2,6,10,15,19,23-hexamethyl-, (all-e)-",JLUBMMAQMKVTGL-RLROCYJYSA-N,"(6E,10E,14E,18E)-2,6,10,15,19,23-Hexamethyltetracosa-1,6,10,14,18,22-hexaen-3-ol",CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C=C(/C)CC\C=C(/C)CCC(O)C(C)=C,"InChI=1S/C30H50O/c1-24(2)14-11-17-28(7)20-12-18-26(5)15-9-10-16-27(6)19-13-21-29(8)22-23-30(31)25(3)4/h14-16,20-21,30-31H,3,9-13,17-19,22-23H2,1-2,4-8H3/b26-15+,27-16+,28-20+,29-21+",C30H50O,426.3861662
2328,Tetrahydro-2H-pyran-2-one,542-28-9,DTXSID6044438,10953,Tetrahydro-2H-pyran-2-one,OZJPLYNZGCXSJM-UHFFFAOYSA-N,Oxan-2-one,O=C1CCCCO1,InChI=1S/C5H8O2/c6-5-3-1-2-4-7-5/h1-4H2,C5H8O2,100.0524295
2329,Calcium palmitate,542-42-7,DTXSID6027189,9829021,Calcium palmitate,HRBZRZSCMANEHQ-UHFFFAOYSA-L,Calcium dihexadecanoate,[Ca++].CCCCCCCCCCCCCCCC([O-])=O.CCCCCCCCCCCCCCCC([O-])=O,"InChI=1S/2C16H32O2.Ca/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;/h2*2-15H2,1H3,(H,17,18);/q;;+2/p-2",C32H62CaO4,550.4274014
2330,1-Glyceryl monohexadecanoate,542-44-9,DTXSID00891470,14900,1-Glyceryl monohexadecanoate,QHZLMUACJMDIAE-UHFFFAOYSA-N,"2,3-Dihydroxypropyl hexadecanoate",CCCCCCCCCCCCCCCC(=O)OCC(O)CO,"InChI=1S/C19H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(22)23-17-18(21)16-20/h18,20-21H,2-17H2,1H3",C19H38O4,330.2770097
2331,"Ethane, isothiocyanato-",542-85-8,DTXSID2060258,10966,"Ethane, isothiocyanato-",HBNYJWAFDZLWRS-UHFFFAOYSA-N,Isothiocyanatoethane,CCN=C=S,"InChI=1S/C3H5NS/c1-2-4-3-5/h2H2,1H3",C3H5NS,87.01427034
2332,"1-decene, 5-methyl-",54244-79-0,DTXSID80880928,543820,"1-decene, 5-methyl-",GHCFSQGBRCMQNQ-UHFFFAOYSA-N,5-Methyldec-1-ene,CCCCCC(C)CCC=C,"InChI=1S/C11H22/c1-4-6-8-10-11(3)9-7-5-2/h5,11H,2,4,6-10H2,1,3H3",C11H22,154.1721507
2333,Glycidyl oleate,5431-33-4,DTXSID101031637,5354568,Glycidyl oleate,VWYIWOYBERNXLX-KTKRTIGZSA-N,,CCCCCCCC\C=C/CCCCCCCC(=O)OCC1CO1,"InChI=1S/C21H38O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(22)24-19-20-18-23-20/h9-10,20H,2-8,11-19H2,1H3/b10-9-",C21H38O3,338.2820951
2334,"1h-indene, 2,3-dihydro-1,5,7-trimethyl-",54340-88-4,DTXSID40880787,37476,"1,5,7-Trimethylindan",NHUDOXBAZXTOGS-UHFFFAOYSA-N,"1,5,7-Trimethyl-2,3-dihydro-1H-indene",CC1CCC2=C1C(C)=CC(C)=C2,"InChI=1S/C12H16/c1-8-6-10(3)12-9(2)4-5-11(12)7-8/h6-7,9H,4-5H2,1-3H3",C12H16,160.1252005
2335,"2,2',4,4'-Tetrabromodiphenyl ether",5436-43-1,DTXSID3030056,95170,"2,2',4,4'-Tetrabromodiphenyl ether",XYBSIYMGXVUVGY-UHFFFAOYSA-N,"1,1'-Oxybis(2,4-dibromobenzene)",BrC1=CC(Br)=C(OC2=CC=C(Br)C=C2Br)C=C1,InChI=1S/C12H6Br4O/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6H,C12H6Br4O,481.715217
2336,Tetradecanoic acid,544-63-8,DTXSID6021666,11005,Tetradecanoic acid,TUNFSRHWOTWDNC-UHFFFAOYSA-N,Tetradecanoic acid,CCCCCCCCCCCCCC(O)=O,"InChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16)",C14H28O2,228.2089301
2337,Hexadecane,544-76-3,DTXSID0027195,11006,Hexadecane,DCAYPVUWAIABOU-UHFFFAOYSA-N,Hexadecane,CCCCCCCCCCCCCCCC,"InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3",C16H34,226.2660511
2338,Dotriacontane,544-85-4,DTXSID5052202,11008,Dotriacontane,QHMGJGNTMQDRQA-UHFFFAOYSA-N,Dotriacontane,CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C32H66/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-32H2,1-2H3",C32H66,450.5164521
2339,"1-nonene, 4,6,8-trimethyl-",54410-98-9,DTXSID80880721,41077,"1-nonene, 4,6,8-trimethyl-",MYYALSDXVMCKSR-UHFFFAOYSA-N,"4,6,8-Trimethylnon-1-ene",CC(C)CC(C)CC(C)CC=C,"InChI=1S/C12H24/c1-6-7-11(4)9-12(5)8-10(2)3/h6,10-12H,1,7-9H2,2-5H3",C12H24,168.1878008
2340,1-Methyl-2-pentylcyclohexane,54411-01-7,DTXSID40334659,521503,1-Methyl-2-pentylcyclohexane,NBAUUOZAFSUJPB-UHFFFAOYSA-N,1-Methyl-2-pentylcyclohexane,CCCCCC1CCCCC1C,"InChI=1S/C12H24/c1-3-4-5-9-12-10-7-6-8-11(12)2/h11-12H,3-10H2,1-2H3",C12H24,168.1878008
2341,2-Ethylhexyl benzoate,5444-75-7,DTXSID4041654,94310,2-Ethylhexyl benzoate,UADWUILHKRXHMM-UHFFFAOYSA-N,2-Ethylhexyl benzoate,CCCCC(CC)COC(=O)C1=CC=CC=C1,"InChI=1S/C15H22O2/c1-3-5-9-13(4-2)12-17-15(16)14-10-7-6-8-11-14/h6-8,10-11,13H,3-5,9,12H2,1-2H3",C15H22O2,234.1619799
2342,Isocyclemone E,54464-57-2,DTXSID7031290,108242,Isocyclemone E,FVUGZKDGWGKCFE-UHFFFAOYSA-N,"1-(2,3,8,8-Tetramethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-2-yl)ethan-1-one",CC1CC2=C(CC1(C)C(C)=O)C(C)(C)CCC2,"InChI=1S/C16H26O/c1-11-9-13-7-6-8-15(3,4)14(13)10-16(11,5)12(2)17/h11H,6-10H2,1-5H3",C16H26O,234.1983655
2343,Sec-butyl 3-methylbenzoate,5448-57-7,DTXSID80280666,226915,Sec-butyl 3-methylbenzoate,PMXIMCBOCREIJN-UHFFFAOYSA-N,Butan-2-yl 3-methylbenzoate,CCC(C)OC(=O)C1=CC=CC(C)=C1,"InChI=1S/C12H16O2/c1-4-10(3)14-12(13)11-7-5-6-9(2)8-11/h5-8,10H,4H2,1-3H3",C12H16O2,192.1150298
2344,Gitoxigenin,545-26-6,DTXSID20878642,348482,Gitoxigenin,PVAMXWLZJKTXFW-VQMOFDJESA-N,"3beta,14,16beta-Trihydroxy-5beta-card-20(22)-enolide",C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](O)CC[C@]34C)[C@@]1(O)C[C@H](O)[C@@H]2C1=CC(=O)OC1,"InChI=1S/C23H34O5/c1-21-7-5-15(24)10-14(21)3-4-17-16(21)6-8-22(2)20(13-9-19(26)28-12-13)18(25)11-23(17,22)27/h9,14-18,20,24-25,27H,3-8,10-12H2,1-2H3/t14-,15+,16+,17-,18+,20+,21+,22-,23+/m1/s1",C23H34O5,390.2406242
2345,1-[4-(Propan-2-yl)phenyl]propan-1-ol,54518-11-5,DTXSID40969723,41113,1-[4-(Propan-2-yl)phenyl]propan-1-ol,NUNYALSGVAYXDW-UHFFFAOYSA-N,1-[4-(Propan-2-yl)phenyl]propan-1-ol,CCC(O)C1=CC=C(C=C1)C(C)C,"InChI=1S/C12H18O/c1-4-12(13)11-7-5-10(6-8-11)9(2)3/h5-9,12-13H,4H2,1-3H3",C12H18O,178.1357652
2346,Cyclooctanamine,5452-37-9,DTXSID9063900,2903,Cyclooctanamine,HSOHBWMXECKEKV-UHFFFAOYSA-N,Cyclooctanamine,NC1CCCCCCC1,"InChI=1S/C8H17N/c9-8-6-4-2-1-3-5-7-8/h8H,1-7,9H2",C8H17N,127.1360996
2347,"3-(2,5-Dimethoxyphenyl)-1-(2-hydroxyphenyl)-2-propen-1-one (ACI)",5452-99-3,,227448,"3-(2,5-Dimethoxyphenyl)-1-(2-hydroxyphenyl)-2-propen-1-one (ACI)",URPAREMBXBSUFI-UHFFFAOYSA-N,"3-(2,5-dimethoxyphenyl)-1-(2-hydroxyphenyl)prop-2-en-1-one",O=C(C=CC1=CC(OC)=CC=C1OC)C=2C=CC=CC2O,"InChI=1S/C17H16O4/c1-20-13-8-10-17(21-2)12(11-13)7-9-16(19)14-5-3-4-6-15(14)18/h3-11,18H,1-2H3",C17H16O4,284.105
2348,2-Nitroadamantane,54564-31-7,DTXSID20202988,64386,2-Nitroadamantane,ZFSCSQSQXFIKKH-UHFFFAOYSA-N,2-Nitroadamantane,[H]C12CC3([H])CC([H])(C1)C([N+]([O-])=O)C([H])(C2)C3,"InChI=1S/C10H15NO2/c12-11(13)10-8-2-6-1-7(4-8)5-9(10)3-6/h6-10H,1-5H2",C10H15NO2,181.1102787
2349,Phenyl octanoate,5457-78-3,DTXSID10282052,229895,Phenyl octanoate,ZBZSVGXZAPNCSY-UHFFFAOYSA-N,Phenyl octanoate,CCCCCCCC(=O)OC1=CC=CC=C1,"InChI=1S/C14H20O2/c1-2-3-4-5-9-12-14(15)16-13-10-7-6-8-11-13/h6-8,10-11H,2-5,9,12H2,1H3",C14H20O2,220.1463299
2350,Butyl cyanoacetate,5459-58-5,DTXSID1044439,79571,Butyl cyanoacetate,DJACTCNGCHPGOI-UHFFFAOYSA-N,Butyl cyanoacetate,CCCCOC(=O)CC#N,"InChI=1S/C7H11NO2/c1-2-3-6-10-7(9)4-5-8/h2-4,6H2,1H3",C7H11NO2,141.0789786
2351,Octinoxate,5466-77-3,DTXSID1025302,21630,Octinoxate,YBGZDTIWKVFICR-UHFFFAOYSA-N,2-Ethylhexyl 3-(4-methoxyphenyl)prop-2-enoate,CCCCC(CC)COC(=O)C=CC1=CC=C(OC)C=C1,"InChI=1S/C18H26O3/c1-4-6-7-15(5-2)14-21-18(19)13-10-16-8-11-17(20-3)12-9-16/h8-13,15H,4-7,14H2,1-3H3",C18H26O3,290.1881947
2352,"2-BUTYL-1,1,3-TRIMETHYL-CYCLOHEXANE",54676-39-0,DTXSID70338564,549926,"2-BUTYL-1,1,3-TRIMETHYL-CYCLOHEXANE",PUUCZCJOATUHNE-UHFFFAOYSA-N,"2-Butyl-1,1,3-trimethylcyclohexane",CCCCC1C(C)CCCC1(C)C,"InChI=1S/C13H26/c1-5-6-9-12-11(2)8-7-10-13(12,3)4/h11-12H,5-10H2,1-4H3",C13H26,182.2034508
2353,2-Methyl-1-propylnaphthalene,54774-89-9,DTXSID50203241,41172,2-Methyl-1-propylnaphthalene,BTYYGWOCMUPYPQ-UHFFFAOYSA-N,2-Methyl-1-propylnaphthalene,CCCC1=C(C)C=CC2=CC=CC=C12,"InChI=1S/C14H16/c1-3-6-13-11(2)9-10-12-7-4-5-8-14(12)13/h4-5,7-10H,3,6H2,1-2H3",C14H16,184.1252005
2354,"cyclohexane, 1-(cyclohexylmethyl)-2-methyl-, trans-",54823-94-8,DTXSID60880643,91700834,"cyclohexane, 1-(cyclohexylmethyl)-2-methyl-, trans-",HJXAJTBTOWMAIA-OCCSQVGLSA-N,"(1S,2R)-1-(Cyclohexylmethyl)-2-methylcyclohexane",C[C@@H]1CCCC[C@H]1CC1CCCCC1,"InChI=1S/C14H26/c1-12-7-5-6-10-14(12)11-13-8-3-2-4-9-13/h12-14H,2-11H2,1H3/t12-,14+/m1/s1",C14H26,194.2034508
2355,"Cyclohexane, 1,1'-(1,5-pentanediyl)bis-",54833-31-7,DTXSID10203328,143213,"Cyclohexane, 1,1'-(1,5-pentanediyl)bis-",ALPSDJDPJHLYKS-UHFFFAOYSA-N,"1,1'-(Pentane-1,5-diyl)dicyclohexane",C(CCC1CCCCC1)CCC1CCCCC1,"InChI=1S/C17H32/c1-4-10-16(11-5-1)14-8-3-9-15-17-12-6-2-7-13-17/h16-17H,1-15H2",C17H32,236.250401
2356,"Heptadecane, 2,6,10,15-tetramethyl",54833-48-6,DTXSID6058635,41209,"Heptadecane, 2,6,10,15-tetramethyl",ZZEQNXPBKOFTBG-UHFFFAOYSA-N,"2,6,10,15-Tetramethylheptadecane",CCC(C)CCCCC(C)CCCC(C)CCCC(C)C,"InChI=1S/C21H44/c1-7-19(4)13-8-9-14-20(5)16-11-17-21(6)15-10-12-18(2)3/h18-21H,7-17H2,1-6H3",C21H44,296.3443014
2357,"2,2-Dichloro-1-phenyl-1,3-propanediol (ACI)",54852-70-9,,572199,"2,2-Dichloro-1-phenyl-1,3-propanediol (ACI)",SCYJEJYTVSCOCR-UHFFFAOYSA-N,"2,2-dichloro-1-phenylpropane-1,3-diol",ClC(Cl)(CO)C(O)C=1C=CC=CC1,"InChI=1S/C9H10Cl2O2/c10-9(11,6-12)8(13)7-4-2-1-3-5-7/h1-5,8,12-13H,6H2",C9H10Cl2O2,220.006
2358,"benzene, (1-methyl-1-propylpentyl)-",54932-91-1,DTXSID00880748,570482,"benzene, (1-methyl-1-propylpentyl)-",JKYBASZDTYCZKW-UHFFFAOYSA-N,(4-Methyloctan-4-yl)benzene,CCCCC(C)(CCC)C1=CC=CC=C1,"InChI=1S/C15H24/c1-4-6-13-15(3,12-5-2)14-10-8-7-9-11-14/h7-11H,4-6,12-13H2,1-3H3",C15H24,204.1878008
2359,"anthracene, 9-ethyl-9,10-dihydro-9,10-dimethyl-",54947-86-3,DTXSID20880801,610158,"anthracene, 9-ethyl-9,10-dihydro-9,10-dimethyl-",SRHFYVHFJIKJFO-UHFFFAOYSA-N,"9-Ethyl-9,10-dimethyl-9,10-dihydroanthracene",CCC1(C)C2=CC=CC=C2C(C)C2=CC=CC=C12,"InChI=1S/C18H20/c1-4-18(3)16-11-7-5-9-14(16)13(2)15-10-6-8-12-17(15)18/h5-13H,4H2,1-3H3",C18H20,236.1565006
2360,2-(Propan-2-yl)-9H-thioxanthen-9-one,5495-84-1,DTXSID1044691,79633,2-Isopropylthioxanthone,KTALPKYXQZGAEG-UHFFFAOYSA-N,2-(Propan-2-yl)-9H-thioxanthen-9-one,CC(C)C1=CC2=C(SC3=C(C=CC=C3)C2=O)C=C1,"InChI=1S/C16H14OS/c1-10(2)11-7-8-15-13(9-11)16(17)12-5-3-4-6-14(12)18-15/h3-10H,1-2H3",C16H14OS,254.0765362
2361,Methyl ?-methyl-?-propylcyclohexaneacetate (ACI),55030-27-8,DTXSID201346988,568251,Methyl 2-cyclohexyl-2-methylpentanoate,VCCZXUFUICXVRJ-UHFFFAOYSA-N,,CCCC(C)(C1CCCCC1)C(=O)OC,"InChI=1S/C13H24O2/c1-4-10-13(2,12(14)15-3)11-8-6-5-7-9-11/h11H,4-10H2,1-3H3",C13H24O2,212.17763
2362,5-Propyltridecane,55045-11-9,DTXSID70866458,41310,5-Propyltridecane,SCMYWAVVKSTDNI-UHFFFAOYSA-N,5-Propyltridecane,CCCCCCCCC(CCC)CCCC,"InChI=1S/C16H34/c1-4-7-9-10-11-12-15-16(13-6-3)14-8-5-2/h16H,4-15H2,1-3H3",C16H34,226.2660511
2363,4-Ethyltetradecane,55045-14-2,DTXSID70970403,41311,4-Ethyltetradecane,VATHPUANTMAJQR-UHFFFAOYSA-N,4-Ethyltetradecane,CCCCCCCCCCC(CC)CCC,"InChI=1S/C16H34/c1-4-7-8-9-10-11-12-13-15-16(6-3)14-5-2/h16H,4-15H2,1-3H3",C16H34,226.2660511
2364,N-(1-Naphthyl)ethylenediamine,551-09-7,DTXSID7043744,15107,N-(1-Naphthyl)ethylenediamine,NULAJYZBOLVQPQ-UHFFFAOYSA-N,"N~1~-(Naphthalen-1-yl)ethane-1,2-diamine",NCCNC1=C2C=CC=CC2=CC=C1,"InChI=1S/C12H14N2/c13-8-9-14-12-7-3-5-10-4-1-2-6-11(10)12/h1-7,14H,8-9,13H2",C12H14N2,186.1156985
2365,2'-Aminoacetophenone,551-93-9,DTXSID4052213,11086,2'-Aminoacetophenone,GTDQGKWDWVUKTI-UHFFFAOYSA-N,1-(2-Aminophenyl)ethan-1-one,CC(=O)C1=CC=CC=C1N,"InChI=1S/C8H9NO/c1-6(10)7-4-2-3-5-8(7)9/h2-5H,9H2,1H3",C8H9NO,135.0684139
2366,"Heptadecane, 9-hexyl-",55124-79-3,DTXSID90304680,296566,"Heptadecane, 9-hexyl-",ZUSMXUXZJCOSPV-UHFFFAOYSA-N,9-Hexylheptadecane,CCCCCCCCC(CCCCCC)CCCCCCCC,"InChI=1S/C23H48/c1-4-7-10-13-15-18-21-23(20-17-12-9-6-3)22-19-16-14-11-8-5-2/h23H,4-22H2,1-3H3",C23H48,324.3756015
2367,Benzyl oleate,55130-16-0,DTXSID301317700,5368218,Benzyl oleate,CGFITOCWTCRCSL-KTKRTIGZSA-N,Benzyl (9Z)-octadec-9-enoate,CCCCCCCC\C=C/CCCCCCCC(=O)OCC1=CC=CC=C1,"InChI=1S/C25H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-25(26)27-23-24-20-17-16-18-21-24/h9-10,16-18,20-21H,2-8,11-15,19,22-23H2,1H3/b10-9-",C25H40O2,372.3028305
2368,"Anthracene, 9-butyltetradecahydro-",55133-89-6,DTXSID10305932,299553,"Anthracene, 9-butyltetradecahydro-",PJCBPPKQWYVHKO-UHFFFAOYSA-N,9-Butyltetradecahydroanthracene,CCCCC1C2CCCCC2CC2CCCCC12,"InChI=1S/C18H32/c1-2-3-10-18-16-11-6-4-8-14(16)13-15-9-5-7-12-17(15)18/h14-18H,2-13H2,1H3",C18H32,248.250401
2369,5-Oxopentyl benzoate,55162-83-9,DTXSID00341081,569875,5-Oxopentyl benzoate,GVMCAESDBLOXND-UHFFFAOYSA-N,5-Oxopentyl benzoate,O=CCCCCOC(=O)C1=CC=CC=C1,"InChI=1S/C12H14O3/c13-9-5-2-6-10-15-12(14)11-7-3-1-4-8-11/h1,3-4,7-9H,2,5-6,10H2",C12H14O3,206.0942943
2370,"Hexadecanamide, N,N'-1,2-ethanediylbis-",5518-18-3,DTXSID4029272,79654,"Hexadecanamide, N,N'-1,2-ethanediylbis-",UAXZKOFYXXDTFH-UHFFFAOYSA-N,"N,N'-(Ethane-1,2-diyl)dihexadecanamide",CCCCCCCCCCCCCCCC(=O)NCCNC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C34H68N2O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33(37)35-31-32-36-34(38)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-32H2,1-2H3,(H,35,37)(H,36,38)",C34H68N2O2,536.5280794
2371,"benzene, (1,1-dimethylnonyl)-",55191-25-8,DTXSID30880695,576897,"benzene, (1,1-dimethylnonyl)-",QECYGFODULXACU-UHFFFAOYSA-N,(2-Methyldecan-2-yl)benzene,CCCCCCCCC(C)(C)C1=CC=CC=C1,"InChI=1S/C17H28/c1-4-5-6-7-8-12-15-17(2,3)16-13-10-9-11-14-16/h9-11,13-14H,4-8,12,15H2,1-3H3",C17H28,232.2191009
2372,1-Cyclopentyl-1-hexadecanone (ACI),55255-86-2,,549696,1-Cyclopentyl-1-hexadecanone (ACI),ZQEHAALHHNYDDJ-UHFFFAOYSA-N,1-cyclopentylhexadecan-1-one,O=C(CCCCCCCCCCCCCCC)C1CCCC1,"InChI=1S/C21H40O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-21(22)20-17-15-16-18-20/h20H,2-19H2,1H3",C21H40O,308.308
2373,"1,1'-(Dodecane-1,1-diyl)bis(4-methylbenzene)",55268-62-7,DTXSID20970599,278081,"1,1'-(Dodecane-1,1-diyl)bis(4-methylbenzene)",DLFGXQMVWJJEOW-UHFFFAOYSA-N,"1,1'-(Dodecane-1,1-diyl)bis(4-methylbenzene)",CCCCCCCCCCCC(C1=CC=C(C)C=C1)C1=CC=C(C)C=C1,"InChI=1S/C26H38/c1-4-5-6-7-8-9-10-11-12-13-26(24-18-14-22(2)15-19-24)25-20-16-23(3)17-21-25/h14-21,26H,4-13H2,1-3H3",C26H38,350.2973512
2374,"hexadecanoic acid, 2,3-bis(acetyloxy)propyl ester",55268-70-7,DTXSID40880888,191981,"hexadecanoic acid, 2,3-bis(acetyloxy)propyl ester",CIUYPOUJRYWLDF-UHFFFAOYSA-N,"2,3-Bis(acetyloxy)propyl hexadecanoate",CCCCCCCCCCCCCCCC(=O)OCC(COC(C)=O)OC(C)=O,"InChI=1S/C23H42O6/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(26)28-19-22(29-21(3)25)18-27-20(2)24/h22H,4-19H2,1-3H3",C23H42O6,414.2981391
2375,11-Pentan-3-ylhenicosane,55282-11-6,DTXSID40303360,292291,11-Pentan-3-ylhenicosane,YAOSHAWMYFELSJ-UHFFFAOYSA-N,11-(Pentan-3-yl)henicosane,CCCCCCCCCCC(CCCCCCCCCC)C(CC)CC,"InChI=1S/C26H54/c1-5-9-11-13-15-17-19-21-23-26(25(7-3)8-4)24-22-20-18-16-14-12-10-6-2/h25-26H,5-24H2,1-4H3",C26H54,366.4225517
2376,3-[(2-Methylpropyl)phosphinyl]-1-propanamine (ACI),55359-13-2,,,3-[(2-Methylpropyl)phosphinyl]-1-propanamine (ACI),GTIDSHZUGMXQSZ-UHFFFAOYSA-N,,O=P(CCCN)CC(C)C,"InChI=1S/C7H18NOP/c1-7(2)6-10(9)5-3-4-8/h7,10H,3-6,8H2,1-2H3",,
2377,"2,4-Dichloroaniline",554-00-7,DTXSID1024966,11123,"2,4-Dichloroaniline",KQCMTOWTPBNWDB-UHFFFAOYSA-N,"2,4-Dichloroaniline",NC1=CC=C(Cl)C=C1Cl,"InChI=1S/C6H5Cl2N/c7-4-1-2-6(9)5(8)3-4/h1-3H,9H2",C6H5Cl2N,160.9799046
2378,Methyl propanoate,554-12-1,DTXSID7027201,11124,Methyl propanoate,RJUFJBKOKNCXHH-UHFFFAOYSA-N,Methyl propanoate,CCC(=O)OC,"InChI=1S/C4H8O2/c1-3-4(5)6-2/h3H2,1-2H3",C4H8O2,88.0524295
2379,11-Decyldocosane,55401-55-3,DTXSID40203957,41440,11-Decyldocosane,ZTLKOYAJKRWSKL-UHFFFAOYSA-N,11-Decyldocosane,CCCCCCCCCCCC(CCCCCCCCCC)CCCCCCCCCC,"InChI=1S/C32H66/c1-4-7-10-13-16-19-22-25-28-31-32(29-26-23-20-17-14-11-8-5-2)30-27-24-21-18-15-12-9-6-3/h32H,4-31H2,1-3H3",C32H66,450.5164521
2380,"Anthracene, 9-dodecyltetradecahydro-",55401-75-7,DTXSID70303959,294752,"Anthracene, 9-dodecyltetradecahydro-",QQGXTQQJKOBQFA-UHFFFAOYSA-N,9-Dodecyltetradecahydroanthracene,CCCCCCCCCCCCC1C2CCCCC2CC2CCCCC12,"InChI=1S/C26H48/c1-2-3-4-5-6-7-8-9-10-11-20-26-24-18-14-12-16-22(24)21-23-17-13-15-19-25(23)26/h22-26H,2-21H2,1H3",C26H48,360.3756015
2381,3-Iodo-2-propynyl-N-butylcarbamate,55406-53-6,DTXSID0028038,62097,3-Iodo-2-propynyl-N-butylcarbamate,WYVVKGNFXHOCQV-UHFFFAOYSA-N,3-Iodoprop-2-yn-1-yl butylcarbamate,CCCCNC(=O)OCC#CI,"InChI=1S/C8H12INO2/c1-2-3-6-10-8(11)12-7-4-5-9/h2-3,6-7H2,1H3,(H,10,11)",C8H12INO2,280.99127
2382,"1,3-diacetyloxypropan-2-yl icosanoate",55429-68-0,DTXSID60337203,539928,"1,3-diacetyloxypropan-2-yl icosanoate",LJFXWMKIYBPHON-UHFFFAOYSA-N,"1,3-Bis(acetyloxy)propan-2-yl icosanoate",CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(C)=O)COC(C)=O,"InChI=1S/C27H50O6/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-27(30)33-26(22-31-24(2)28)23-32-25(3)29/h26H,4-23H2,1-3H3",C27H50O6,470.3607393
2383,11-Decyltetracosane,55429-84-0,DTXSID60871430,294707,11-Decyltetracosane,BVMGLUHWZZEDRX-UHFFFAOYSA-N,11-Decyltetracosane,CCCCCCCCCCCCCC(CCCCCCCCCC)CCCCCCCCCC,"InChI=1S/C34H70/c1-4-7-10-13-16-19-20-21-24-27-30-33-34(31-28-25-22-17-14-11-8-5-2)32-29-26-23-18-15-12-9-6-3/h34H,4-33H2,1-3H3",C34H70,478.5477523
2384,"Nonane, 2-methyl-3-methylene-",55499-08-6,DTXSID90338581,549980,"Nonane, 2-methyl-3-methylene-",RSECDGYTKPKQHR-UHFFFAOYSA-N,2-Methyl-3-methylidenenonane,CCCCCCC(=C)C(C)C,"InChI=1S/C11H22/c1-5-6-7-8-9-11(4)10(2)3/h10H,4-9H2,1-3H3",C11H22,154.1721507
2385,"Pentacosane, 13-undecyl-",55517-89-0,DTXSID70304547,296262,"Pentacosane, 13-undecyl-",ZBOLLHDWYFHOST-UHFFFAOYSA-N,13-Undecylpentacosane,CCCCCCCCCCCCC(CCCCCCCCCCC)CCCCCCCCCCCC,"InChI=1S/C36H74/c1-4-7-10-13-16-19-22-25-28-31-34-36(33-30-27-24-21-18-15-12-9-6-3)35-32-29-26-23-20-17-14-11-8-5-2/h36H,4-35H2,1-3H3",C36H74,506.5790524
2386,"Octahydro-1,5-dinitroso-1,5-diazocine (ACI)",55556-89-3,DTXSID601354585,558352,"1,5-Dinitrosooctahydro-1,5-diazocine",URLYYQHDXKNTGO-UHFFFAOYSA-N,,O=NN1CCCN(CCC1)N=O,InChI=1S/C6H12N4O2/c11-7-9-3-1-4-10(8-12)6-2-5-9/h1-6H2,C6H12N4O2,172.0960256
2387,"9-Octadecene (6CI, 7CI, 8CI, 9CI, ACI)",5557-31-3,,521661,"9-Octadecene (6CI, 7CI, 8CI, 9CI, ACI)",HSNQNPCNYIJJHT-UHFFFAOYSA-N,octadec-9-ene,C(=CCCCCCCCC)CCCCCCCC,"InChI=1S/C18H36/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h17-18H,3-16H2,1-2H3",C18H36,252.282
2388,"4,6-Bis(1,1-dimethylethyl)-1,3-cyclohexanedione (ACI)",55579-78-7,,546043,"4,6-Bis(1,1-dimethylethyl)-1,3-cyclohexanedione (ACI)",PBOAZMIKLGFMSU-UHFFFAOYSA-N,"4,6-ditert-butylcyclohexane-1,3-dione",O=C1CC(=O)C(CC1C(C)(C)C)C(C)(C)C,"InChI=1S/C14H24O2/c1-13(2,3)9-7-10(14(4,5)6)12(16)8-11(9)15/h9-10H,7-8H2,1-6H3",C14H24O2,224.178
2389,Octamethylcyclotetrasiloxane,556-67-2,DTXSID7027205,11169,Octamethylcyclotetrasiloxane,HMMGMWAXVFQUOA-UHFFFAOYSA-N,"2,2,4,4,6,6,8,8-Octamethyl-1,3,5,7,2,4,6,8-tetroxatetrasilocane",C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1,"InChI=1S/C8H24O4Si4/c1-13(2)9-14(3,4)11-16(7,8)12-15(5,6)10-13/h1-8H3",C8H24O4Si4,296.0751654
2390,Octadecamethylcyclononasiloxane,556-71-8,DTXSID5060308,11172,Octadecamethylcyclononasiloxane,ISXOGOLHEGHGQF-UHFFFAOYSA-N,Octadecamethylcyclononasiloxane,C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1,"InChI=1S/C18H54O9Si9/c1-28(2)19-29(3,4)21-31(7,8)23-33(11,12)25-35(15,16)27-36(17,18)26-34(13,14)24-32(9,10)22-30(5,6)20-28/h1-18H3",C18H54O9Si9,666.1691221
2391,3-Methyl-2-buten-1-ol,556-82-1,DTXSID2027206,11173,3-Methyl-2-buten-1-ol,ASUAYTHWZCLXAN-UHFFFAOYSA-N,3-Methylbut-2-en-1-ol,CC(C)=CCO,"InChI=1S/C5H10O/c1-5(2)3-4-6/h3,6H,4H2,1-2H3",C5H10O,86.07316494
2392,Clophen A 30,55600-34-5,DTXSID8020339,,Clophen A 30,,,,,,
2393,"1,2,3,4,7,8,9-Heptachlorodibenzofuran",55673-89-7,DTXSID9052216,41510,"1,2,3,4,7,8,9-Heptachlorodibenzofuran",VEZCTZWLJYWARH-UHFFFAOYSA-N,"1,2,3,4,7,8,9-Heptachlorodibenzo[b,d]furan",ClC1=CC2=C(C3=C(Cl)C(Cl)=C(Cl)C(Cl)=C3O2)C(Cl)=C1Cl,InChI=1S/C12HCl7O/c13-2-1-3-4(7(15)6(2)14)5-8(16)9(17)10(18)11(19)12(5)20-3/h1H,C12HCl7O,405.7847086
2394,"naphthalene, 1-heptyl-1,2,3,4-tetrahydro-4-methyl-",55682-84-3,DTXSID80880807,108350,"naphthalene, 1-heptyl-1,2,3,4-tetrahydro-4-methyl-",SBMIKEMQTOPDTC-UHFFFAOYSA-N,"1-Heptyl-4-methyl-1,2,3,4-tetrahydronaphthalene",CCCCCCCC1CCC(C)C2=CC=CC=C12,"InChI=1S/C18H28/c1-3-4-5-6-7-10-16-14-13-15(2)17-11-8-9-12-18(16)17/h8-9,11-12,15-16H,3-7,10,13-14H2,1-2H3",C18H28,244.2191009
2395,"Octadecanoic acid, zinc salt",557-05-1,DTXSID7027209,11178,"Octadecanoic acid, zinc salt",XOOUIPVCVHRTMJ-UHFFFAOYSA-L,Zinc dioctadecanoate,[Zn++].CCCCCCCCCCCCCCCCCC([O-])=O.CCCCCCCCCCCCCCCCCC([O-])=O,"InChI=1S/2C18H36O2.Zn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2*2-17H2,1H3,(H,19,20);/q;;+2/p-2",C36H70O4Zn,630.456553
2396,"octane, 2-bromo-",557-35-7,DTXSID90880631,79046,"octane, 2-bromo-",FTJHYGJLHCGQHQ-UHFFFAOYSA-N,2-Bromooctane,CCCCCCC(C)Br,"InChI=1S/C8H17Br/c1-3-4-5-6-7-8(2)9/h8H,3-7H2,1-2H3",C8H17Br,192.051364
2397,Tetracosanoic acid,557-59-5,DTXSID6021664,11197,Tetracosanoic acid,QZZGJDVWLFXDLK-UHFFFAOYSA-N,Tetracosanoic acid,CCCCCCCCCCCCCCCCCCCCCCCC(O)=O,"InChI=1S/C24H48O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26/h2-23H2,1H3,(H,25,26)",C24H48O2,368.3654308
2398,"5-Octenal, 4,4-dimethyl-, (E)- (9CI)",55739-94-1,,5364775,"5-Octenal, 4,4-dimethyl-, (E)- (9CI)",WIUZQWYBCQCAMV-FNORWQNLSA-N,"(E)-4,4-dimethyloct-5-enal",O=CCCC(C=CCC)(C)C,"InChI=1S/C10H18O/c1-4-5-7-10(2,3)8-6-9-11/h5,7,9H,4,6,8H2,1-3H3",C10H18O,154.136
2399,"6,7-DIETHYL-1,1,4,4-TETRAMETHYLTETRALINE",55741-10-1,DTXSID80346812,615306,"6,7-DIETHYL-1,1,4,4-TETRAMETHYLTETRALINE",ZCGWNQXAIAWRRA-UHFFFAOYSA-N,"6,7-Diethyl-1,1,4,4-tetramethyl-1,2,3,4-tetrahydronaphthalene",CCC1=CC2=C(C=C1CC)C(C)(C)CCC2(C)C,"InChI=1S/C18H28/c1-7-13-11-15-16(12-14(13)8-2)18(5,6)10-9-17(15,3)4/h11-12H,7-10H2,1-6H3",C18H28,244.2191009
2400,"3,3'-{Propane-2,2-diylbis[(4,1-phenylene)oxy]}di(propane-1,2-diol)",5581-32-8,DTXSID10971212,110678,"3,3'-{Propane-2,2-diylbis[(4,1-phenylene)oxy]}di(propane-1,2-diol)",NISVZEWKUNUGQQ-UHFFFAOYSA-N,"3,3'-{Propane-2,2-diylbis[(4,1-phenylene)oxy]}di(propane-1,2-diol)",CC(C)(C1=CC=C(OCC(O)CO)C=C1)C1=CC=C(OCC(O)CO)C=C1,"InChI=1S/C21H28O6/c1-21(2,15-3-7-19(8-4-15)26-13-17(24)11-22)16-5-9-20(10-6-16)27-14-18(25)12-23/h3-10,17-18,22-25H,11-14H2,1-2H3",C21H28O6,376.1885886
2401,"3,5-Dimethylfuran-2(5H)-one",5584-69-0,DTXSID10312348,318158,"3,5-Dimethylfuran-2(5H)-one",SAXRUMLUKZBSTO-UHFFFAOYSA-N,"3,5-Dimethylfuran-2(5H)-one",CC1OC(=O)C(C)=C1,"InChI=1S/C6H8O2/c1-4-3-5(2)8-6(4)7/h3,5H,1-2H3",C6H8O2,112.0524295
2402,Diphenyl 4-isopropylphenyl phosphate,55864-04-5,DTXSID2073560,91908,Diphenyl 4-isopropylphenyl phosphate,JUHFQCKQQLMGAB-UHFFFAOYSA-N,Diphenyl 4-(propan-2-yl)phenyl phosphate,CC(C)C1=CC=C(OP(=O)(OC2=CC=CC=C2)OC2=CC=CC=C2)C=C1,"InChI=1S/C21H21O4P/c1-17(2)18-13-15-21(16-14-18)25-26(22,23-19-9-5-3-6-10-19)24-20-11-7-4-8-12-20/h3-17H,1-2H3",C21H21O4P,368.1177462
2403,Bis(4-isopropylphenyl) phenyl phosphate,55864-07-8,DTXSID70892272,13767290,Bis(4-isopropylphenyl) phenyl phosphate,GQJZORIDXGBCCT-UHFFFAOYSA-N,Phenyl bis[4-(propan-2-yl)phenyl] phosphate,CC(C)C1=CC=C(OP(=O)(OC2=CC=CC=C2)OC2=CC=C(C=C2)C(C)C)C=C1,"InChI=1S/C24H27O4P/c1-18(2)20-10-14-23(15-11-20)27-29(25,26-22-8-6-5-7-9-22)28-24-16-12-21(13-17-24)19(3)4/h5-19H,1-4H3",C24H27O4P,410.1646963
2404,2-Hydroxy-3-(2-hydroxyethoxy)propyl hexadecanoate (ACI),55910-86-6,,,2-Hydroxy-3-(2-hydroxyethoxy)propyl hexadecanoate (ACI),UOWOVUKVRABXJS-UHFFFAOYSA-N,,O=C(OCC(O)COCCO)CCCCCCCCCCCCCCC,"InChI=1S/C21H42O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21(24)26-19-20(23)18-25-17-16-22/h20,22-23H,2-19H2,1H3",,
2405,Tripropylene glycol butyl ether,55934-93-5,DTXSID8042503,60196418,Tripropylene glycol butyl ether,RNFAKTRFMQEEQE-UHFFFAOYSA-N,1-[2-(1-Butoxypropoxy)propoxy]propan-1-ol,CCCCOC(CC)OC(C)COC(O)CC,"InChI=1S/C13H28O4/c1-5-8-9-15-13(7-3)17-11(4)10-16-12(14)6-2/h11-14H,5-10H2,1-4H3",C13H28O4,248.1987594
2406,"4-(2-Hydroxy-2,6,6-trimethylcyclohexyl)-3-buten-2-one (ACI)",55955-46-9,,539340,"4-(2-Hydroxy-2,6,6-trimethylcyclohexyl)-3-buten-2-one (ACI)",SFRUDMZKQYLSRE-UHFFFAOYSA-N,"4-(2-hydroxy-2,6,6-trimethylcyclohexyl)but-3-en-2-one",O=C(C=CC1C(O)(C)CCCC1(C)C)C,"InChI=1S/C13H22O2/c1-10(14)6-7-11-12(2,3)8-5-9-13(11,4)15/h6-7,11,15H,5,8-9H2,1-4H3",C13H22O2,210.162
2407,"2-propanol, 1-[1-methyl-2-(2-propenyloxy)ethoxy]-",55956-25-7,DTXSID90880919,41674,"2-propanol, 1-[1-methyl-2-(2-propenyloxy)ethoxy]-",PDCBTSVBFUQBNN-UHFFFAOYSA-N,1-({1-[(Prop-2-en-1-yl)oxy]propan-2-yl}oxy)propan-2-ol,CC(O)COC(C)COCC=C,"InChI=1S/C9H18O3/c1-4-5-11-7-9(3)12-6-8(2)10/h4,8-10H,1,5-7H2,2-3H3",C9H18O3,174.1255944
2408,Chlorpyrifos-methyl,5598-13-0,DTXSID6032352,21803,Chlorpyrifos-methyl,HRBKVYFZANMGRE-UHFFFAOYSA-N,"O,O-Dimethyl O-(3,5,6-trichloropyridin-2-yl) phosphorothioate",COP(=S)(OC)OC1=NC(Cl)=C(Cl)C=C1Cl,"InChI=1S/C7H7Cl3NO3PS/c1-12-15(16,13-2)14-7-5(9)3-4(8)6(10)11-7/h3H,1-2H3",C7H7Cl3NO3PS,320.8949844
2409,Carbon tetrachloride,56-23-5,DTXSID8020250,5943,Carbon tetrachloride,VZGDMQKNWNREIO-UHFFFAOYSA-N,Tetrachloromethane,ClC(Cl)(Cl)Cl,"InChI=1S/CCl4/c2-1(3,4)5",CCl4,151.8754108
2410,Benz(a)anthracene,56-55-3,DTXSID5023902,5954,Benz(a)anthracene,DXBHBZVCASKNBY-UHFFFAOYSA-N,Tetraphene,C1=CC2=C(C=C1)C=C1C(C=CC3=C1C=CC=C3)=C2,InChI=1S/C18H12/c1-2-7-15-12-18-16(11-14(15)6-1)10-9-13-5-3-4-8-17(13)18/h1-12H,C18H12,228.0939004
2411,Glycerol,56-81-5,DTXSID9020663,753,Glycerol,PEDCQBHIVMGVHV-UHFFFAOYSA-N,"Propane-1,2,3-triol",OCC(O)CO,"InChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2",C3H8O3,92.04734412
2412,"Pentane, 2,3,3-trimethyl-",560-21-4,DTXSID2060333,11215,"Pentane, 2,3,3-trimethyl-",OKVWYBALHQFVFP-UHFFFAOYSA-N,"2,3,3-Trimethylpentane",CCC(C)(C)C(C)C,"InChI=1S/C8H18/c1-6-8(4,5)7(2)3/h7H,6H2,1-5H3",C8H18,114.1408506
2413,"(5S)-4,10,11,11-Tetramethyltricyclo[5.3.1.0~1,5~]undec-9-ene",560-32-7,DTXSID601037466,5320423,"(5S)-4,10,11,11-Tetramethyltricyclo[5.3.1.0~1,5~]undec-9-ene",KVQOADNSNSUAJT-MFHNVLSASA-N,,[H][C@@]12CC3CC=C(C)C1(CCC2C)C3(C)C,"InChI=1S/C15H24/c1-10-7-8-15-11(2)5-6-12(9-13(10)15)14(15,3)4/h5,10,12-13H,6-9H2,1-4H3/t10?,12?,13-,15?/m0/s1",C15H24,204.1878008
2414,Methyl 2-[[2-[[2-[(2-pentylcyclopropyl)methyl]cyclopropyl]methyl]cyclopropyl]methyl]cyclopropanebutanoate (ACI),56051-53-7,,554084,Methyl 2-[[2-[[2-[(2-pentylcyclopropyl)methyl]cyclopropyl]methyl]cyclopropyl]methyl]cyclopropanebutanoate (ACI),FAQZFJDTUMBJQS-UHFFFAOYSA-N,methyl 4-[2-[[2-[[2-[(2-pentylcyclopropyl)methyl]cyclopropyl]methyl]cyclopropyl]methyl]cyclopropyl]butanoate,O=C(OC)CCCC1CC1CC2CC2CC3CC3CC4CC4CCCCC,"InChI=1S/C25H42O2/c1-3-4-5-7-17-10-19(17)12-21-14-23(21)16-24-15-22(24)13-20-11-18(20)8-6-9-25(26)27-2/h17-24H,3-16H2,1-2H3",C25H42O2,374.318
2415,Triglycerin,56090-54-1,DTXSID80891933,,Triglycerin,,,,,,
2416,p-(tert-Butyl)benzamide,56108-12-4,DTXSID3022295,92014,p-(tert-Butyl)benzamide,VIPMBJSGYWWHAO-UHFFFAOYSA-N,4-tert-Butylbenzamide,CC(C)(C)C1=CC=C(C=C1)C(N)=O,"InChI=1S/C11H15NO/c1-11(2,3)9-6-4-8(5-7-9)10(12)13/h4-7H,1-3H3,(H2,12,13)",C11H15NO,177.1153641
2417,methyl 2-ethylhexyl phthalate,56166-83-7,DTXSID20880902,596027,methyl 2-ethylhexyl phthalate,MQYNKBGLFNKJPL-UHFFFAOYSA-N,"2-Ethylhexyl methyl benzene-1,2-dicarboxylate",CCCCC(CC)COC(=O)C1=CC=CC=C1C(=O)OC,"InChI=1S/C17H24O4/c1-4-6-9-13(5-2)12-21-17(19)15-11-8-7-10-14(15)16(18)20-3/h7-8,10-11,13H,4-6,9,12H2,1-3H3",C17H24O4,292.1674593
2418,Heptaethylene glycol,5617-32-3,DTXSID10204698,79718,Heptaethylene glycol,XPJRQAIZZQMSCM-UHFFFAOYSA-N,"3,6,9,12,15,18-Hexaoxaicosane-1,20-diol",OCCOCCOCCOCCOCCOCCOCCO,"InChI=1S/C14H30O8/c15-1-3-17-5-7-19-9-11-21-13-14-22-12-10-20-8-6-18-4-2-16/h15-16H,1-14H2",C14H30O8,326.1940679
2419,Heptylcyclohexane,5617-41-4,DTXSID1058636,21832,Heptylcyclohexane,MSTLSCNJAHAQNU-UHFFFAOYSA-N,Heptylcyclohexane,CCCCCCCC1CCCCC1,"InChI=1S/C13H26/c1-2-3-4-5-7-10-13-11-8-6-9-12-13/h13H,2-12H2,1H3",C13H26,182.2034508
2420,4-Methyl-1-(propan-2-yl)cyclohex-3-en-1-ol,562-74-3,DTXSID4044824,11230,4-Methyl-1-(1-methylethyl)-3-cyclohexen-1-ol,WRYLYDPHFGVWKC-UHFFFAOYSA-N,4-Methyl-1-(propan-2-yl)cyclohex-3-en-1-ol,CC(C)C1(O)CCC(C)=CC1,"InChI=1S/C10H18O/c1-8(2)10(11)6-4-9(3)5-7-10/h4,8,11H,5-7H2,1-3H3",C10H18O,154.1357652
2421,"4,5-Dimethyltetradecahydrophenanthrene",56292-68-3,DTXSID80299293,279048,"4,5-Dimethyltetradecahydrophenanthrene",LRCLMXSQZAMLRS-UHFFFAOYSA-N,"4,5-Dimethyltetradecahydrophenanthrene",CC1CCCC2CCC3CCCC(C)C3C12,"InChI=1S/C16H28/c1-11-5-3-7-13-9-10-14-8-4-6-12(2)16(14)15(11)13/h11-16H,3-10H2,1-2H3",C16H28,220.2191009
2422,"Phosphoric acid, tris(3-methylphenyl) ester",563-04-2,DTXSID4026216,11232,"Phosphoric acid, tris(3-methylphenyl) ester",RMLPZKRPSQVRAB-UHFFFAOYSA-N,Tris(3-methylphenyl) phosphate,CC1=CC=CC(OP(=O)(OC2=CC(C)=CC=C2)OC2=CC(C)=CC=C2)=C1,"InChI=1S/C21H21O4P/c1-16-7-4-10-19(13-16)23-26(22,24-20-11-5-8-17(2)14-20)25-21-12-6-9-18(3)15-21/h4-15H,1-3H3",C21H21O4P,368.1177462
2423,"3,3-Dimethylhexane",563-16-6,DTXSID2073194,11233,"3,3-Dimethylhexane",KUMXLFIBWFCMOJ-UHFFFAOYSA-N,"3,3-Dimethylhexane",CCCC(C)(C)CC,"InChI=1S/C8H18/c1-5-7-8(3,4)6-2/h5-7H2,1-4H3",C8H18,114.1408506
2424,"1,1-Dichloropropene",563-58-6,DTXSID1029910,11245,"1,1-Dichloropropene",ZAIDIVBQUMFXEC-UHFFFAOYSA-N,"1,1-Dichloroprop-1-ene",CC=C(Cl)Cl,"InChI=1S/C3H4Cl2/c1-2-3(4)5/h2H,1H3",C3H4Cl2,109.9690055
2425,Pentabromobiphenyl,56307-79-0,DTXSID201058183,,Pentabromobiphenyl,,,,,,
2426,"5-Pentyl-1,3-cyclohexadiene (ACI)",56318-84-4,,15607494,"5-Pentyl-1,3-cyclohexadiene (ACI)",PPCHPNONKYLBQT-UHFFFAOYSA-N,"5-pentylcyclohexa-1,3-diene",C=1C=CC(CC1)CCCCC,"InChI=1S/C11H18/c1-2-3-5-8-11-9-6-4-7-10-11/h4,6-7,9,11H,2-3,5,8,10H2,1H3",C11H18,150.141
2427,Octacosanedioic acid,5632-97-3,DTXSID60415777,5320251,Octacosanedioic acid,WHTKRYWWSTYDNH-UHFFFAOYSA-N,Octacosanedioic acid,OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCC(O)=O,"InChI=1S/C28H54O4/c29-27(30)25-23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24-26-28(31)32/h1-26H2,(H,29,30)(H,31,32)",C28H54O4,454.4022102
2428,"1,8,15-Triazacycloheneicosane-2,9,16-trione",56403-08-8,DTXSID801031783,9949800,"1,8,15-Triazacyclodocosane-2,9,16-trione",HJBDVFFKADBHHV-UHFFFAOYSA-N,,O=C1CCCCCNC(=O)CCCCCNC(=O)CCCCCN1,"InChI=1S/C18H33N3O3/c22-16-10-4-1-7-13-19-17(23)11-5-2-9-15-21-18(24)12-6-3-8-14-20-16/h1-15H2,(H,19,23)(H,20,22)(H,21,24)",C18H33N3O3,339.2521919
2429,"1,8-Diazacyclotetradecane-2,9-dione",56403-09-9,DTXSID90204974,16,"1,8-Diazacyclotetradecane-2,9-dione",HERSSAVMHCMYSQ-UHFFFAOYSA-N,"1,8-Diazacyclotetradecane-2,9-dione",O=C1CCCCCNC(=O)CCCCCN1,"InChI=1S/C12H22N2O2/c15-11-7-3-1-5-9-13-12(16)8-4-2-6-10-14-11/h1-10H2,(H,13,16)(H,14,15)",C12H22N2O2,226.168128
2430,POLYGLYCERIN-4,56491-53-3,DTXSID901042816,,POLYGLYCERIN-4,,,,,,
2431,"2,3,4-Trimethylpentane",565-75-3,DTXSID6060343,11269,"2,3,4-Trimethylpentane",RLPGDEORIPLBNF-UHFFFAOYSA-N,"2,3,4-Trimethylpentane",CC(C)C(C)C(C)C,"InChI=1S/C8H18/c1-6(2)8(5)7(3)4/h6-8H,1-5H3",C8H18,114.1408506
2432,"1-Propanone, 2-(methylamino)-1-phenyl-",5650-44-2,DTXSID30863589,1576,(+/-)-Methcathinone,LPLLVINFLBSFRP-UHFFFAOYSA-N,2-(Methylamino)-1-phenylpropan-1-one,CNC(C)C(=O)C1=CC=CC=C1,"InChI=1S/C10H13NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,11H,1-2H3",C10H13NO,163.099714
2433,Cyclo(leucylprolyl),5654-86-4,DTXSID40905040,,Cyclo(leucylprolyl),SZJNCZMRZAUNQT-JQEWEITDNA-N,"(3S,8aS)-3-(2-Methylpropyl)hexahydropyrrolo[1,2-a]pyrazine-1,4-dione",[H][C@@]12CCCN1C(=O)[C@]([H])(CC(C)C)NC2=O,"InChI=1S/C11H18N2O2/c1-7(2)6-8-11(15)13-5-3-4-9(13)10(14)12-8/h7-9H,3-6H2,1-2H3,(H,12,14)/t8-,9-/m0/s1",C11H18N2O2,210.1368278
2434,(-)Bornyl acetate,5655-61-8,DTXSID3052228,93009,(-)Bornyl acetate,KGEKLUUHTZCSIP-HOSYDEDBSA-N,"(1S,2R,4S)-1,7,7-Trimethylbicyclo[2.2.1]heptan-2-yl acetate",CC(=O)O[C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C,"InChI=1S/C12H20O2/c1-8(13)14-10-7-9-5-6-12(10,4)11(9,2)3/h9-10H,5-7H2,1-4H3/t9-,10+,12+/m0/s1",C12H20O2,196.1463299
2435,"7,10,13-HEXADECATRIENOIC ACID METHYL ESTER",56554-30-4,DTXSID10339434,556196,"7,10,13-HEXADECATRIENOIC ACID METHYL ESTER",DUOCBVNCDAEWTB-UHFFFAOYSA-N,"Methyl hexadeca-7,10,13-trienoate",CCC=CCC=CCC=CCCCCCC(=O)OC,"InChI=1S/C17H28O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19-2/h4-5,7-8,10-11H,3,6,9,12-16H2,1-2H3",C17H28O2,264.2089301
2436,"9,17-Octadecadienal, (Z)-",56554-35-9,DTXSID501015908,5365667,"9,17-Octadecadienal, (Z)-",RXORHYFDDNAOQS-KTKRTIGZSA-N,"(9Z)-Octadeca-9,17-dienal",C=CCCCCCC\C=C/CCCCCCCC=O,"InChI=1S/C18H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h2,9-10,18H,1,3-8,11-17H2/b10-9-",C18H32O,264.2453157
2437,Tin-San,56573-85-4,DTXSID4095003,,Tin-San,,,,,,
2438,"4,4,5-Trimethyl-2-pentadecyl-1,3-dioxolane (ACI)",56599-79-2,,575411,"4,4,5-Trimethyl-2-pentadecyl-1,3-dioxolane (ACI)",FBQXFNAUEZWOIJ-UHFFFAOYSA-N,"4,4,5-trimethyl-2-pentadecyl-1,3-dioxolane",O1C(OC(C)(C)C1C)CCCCCCCCCCCCCCC,"InChI=1S/C21H42O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-22-19(2)21(3,4)23-20/h19-20H,5-18H2,1-4H3",C21H42O2,326.318
2439,Methyl docos-13-enoate,56630-69-4,DTXSID70859582,61268,Methyl docos-13-enoate,ZYNDJIBBPLNPOW-UHFFFAOYSA-N,Methyl docos-13-enoate,CCCCCCCCC=CCCCCCCCCCCCC(=O)OC,"InChI=1S/C23H44O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25-2/h10-11H,3-9,12-22H2,1-2H3",C23H44O2,352.3341307
2440,"9,15-octadecadienoic acid, methyl ester",56630-73-0,DTXSID50880894,5362738,"9,15-octadecadienoic acid, methyl ester",OTROKOXHZSGHEN-PMXBNEBOSA-N,"Methyl (9E,15E)-octadeca-9,15-dienoate",CC\C=C\CCCC\C=C\CCCCCCCC(=O)OC,"InChI=1S/C19H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h4-5,10-11H,3,6-9,12-18H2,1-2H3/b5-4+,11-10+",C19H34O2,294.2558803
2441,1-Methyl-9-(1-methylethylidene)bicyclo[3.3.1]nonan-2-one,56630-95-6,DTXSID30336723,535806,1-Methyl-9-(1-methylethylidene)bicyclo[3.3.1]nonan-2-one,ZLXSOTWWXQAFSW-UHFFFAOYSA-N,1-Methyl-9-(propan-2-ylidene)bicyclo[3.3.1]nonan-2-one,[H]C12CCCC(C)(C(=O)CC1)C2=C(C)C,"InChI=1S/C13H20O/c1-9(2)12-10-5-4-8-13(12,3)11(14)7-6-10/h10H,4-8H2,1-3H3",C13H20O,192.1514153
2442,2-[(Pentadec-12-yn-1-yl)oxy]oxane,56666-38-7,DTXSID80972110,41961,2-[(Pentadec-12-yn-1-yl)oxy]oxane,FPZIWAZYWJJTIZ-UHFFFAOYSA-N,2-[(Pentadec-12-yn-1-yl)oxy]oxane,CCC#CCCCCCCCCCCCOC1CCCCO1,"InChI=1S/C20H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-21-20-17-14-16-19-22-20/h20H,2,5-19H2,1H3",C20H36O2,308.2715304
2443,AGN-PC-0JSIVU,56666-48-9,DTXSID90336789,536363,AGN-PC-0JSIVU,QNBNFYKISNNUMZ-UHFFFAOYSA-N,"1-(Pyrrolidin-1-yl)octadeca-2,5-dien-1-one",CCCCCCCCCCCCC=CCC=CC(=O)N1CCCC1,"InChI=1S/C22H39NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22(24)23-20-17-18-21-23/h13-14,16,19H,2-12,15,17-18,20-21H2,1H3",C22H39NO,333.3031649
2444,"3-Hexanamine, 3-ethyl-",56667-17-5,DTXSID201016252,41707,"3-Hexanamine, 3-ethyl-",IZEJQGRHGSWGDZ-UHFFFAOYSA-N,3-Ethylhexan-3-amine,CCCC(N)(CC)CC,"InChI=1S/C8H19N/c1-4-7-8(9,5-2)6-3/h4-7,9H2,1-3H3",C8H19N,129.1517496
2445,Methyl 2-[(2-pentylcyclopropyl)methyl]cyclopropaneoctanoate (ACI),56687-67-3,,534623,Methyl 2-[(2-pentylcyclopropyl)methyl]cyclopropaneoctanoate (ACI),WSVAMWHCPDAWFM-UHFFFAOYSA-N,methyl 8-[2-[(2-pentylcyclopropyl)methyl]cyclopropyl]octanoate,O=C(OC)CCCCCCCC1CC1CC2CC2CCCCC,"InChI=1S/C21H38O2/c1-3-4-8-11-17-14-19(17)16-20-15-18(20)12-9-6-5-7-10-13-21(22)23-2/h17-20H,3-16H2,1-2H3",C21H38O2,322.287
2446,"1,1'-[2-Methyl-2-(phenylthio)cyclopropylidene]bis-benzene",56728-02-0,DTXSID701338671,609923,"1,1'-[2-Methyl-2-(phenylthio)cyclopropylidene]bis-benzene",DKKGXIJGZVZJRU-UHFFFAOYSA-N,,CC1(CC1(C1=CC=CC=C1)C1=CC=CC=C1)SC1=CC=CC=C1,"InChI=1S/C22H20S/c1-21(23-20-15-9-4-10-16-20)17-22(21,18-11-5-2-6-12-18)19-13-7-3-8-14-19/h2-16H,17H2,1H3",C22H20S,316.1285718
2447,2-Phenyl-1-pentene,5676-32-4,DTXSID70334723,521761,2-Phenyl-1-pentene,ANGVCCXFJKHNDS-UHFFFAOYSA-N,(Pent-1-en-2-yl)benzene,CCCC(=C)C1=CC=CC=C1,"InChI=1S/C11H14/c1-3-7-10(2)11-8-5-4-6-9-11/h4-6,8-9H,2-3,7H2,1H3",C11H14,146.1095505
2448,tert-Butylphenyl diphenyl phosphate,56803-37-3,DTXSID6024701,,tert-Butylphenyl diphenyl phosphate,,,,,,
2449,"13,16-octadecadiynoic acid, methyl ester",56846-98-1,DTXSID90880898,554085,"13,16-octadecadiynoic acid, methyl ester",ZYHFSUXBIVWHCX-UHFFFAOYSA-N,"Methyl octadeca-13,16-diynoate",COC(=O)CCCCCCCCCCCC#CCC#CC,"InChI=1S/C19H30O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h5,8-18H2,1-2H3",C19H30O2,290.2245802
2450,"12-tridecynoic acid, methyl ester",56909-01-4,DTXSID70880896,554090,"12-tridecynoic acid, methyl ester",LLYUQTVONAGBRD-UHFFFAOYSA-N,Methyl tridec-12-ynoate,COC(=O)CCCCCCCCCCC#C,"InChI=1S/C14H24O2/c1-3-4-5-6-7-8-9-10-11-12-13-14(15)16-2/h1H,4-13H2,2H3",C14H24O2,224.17763
2451,"13-Tetradecynoic acid, methyl ester",56909-03-6,DTXSID60339146,554087,"13-Tetradecynoic acid, methyl ester",TWMAUAVEENQTOH-UHFFFAOYSA-N,Methyl tetradec-13-ynoate,COC(=O)CCCCCCCCCCCC#C,"InChI=1S/C15H26O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17-2/h1H,4-14H2,2H3",C15H26O2,238.1932801
2452,Acexamic acid,57-08-9,DTXSID1045879,2005,Acexamic acid,WDSCBUNMANHPFH-UHFFFAOYSA-N,6-Acetamidohexanoic acid,CC(=O)NCCCCCC(O)=O,"InChI=1S/C8H15NO3/c1-7(10)9-6-4-2-3-5-8(11)12/h2-6H2,1H3,(H,9,10)(H,11,12)",C8H15NO3,173.1051933
2453,Hexadecyltrimethylammonium bromide,57-09-0,DTXSID5037028,5974,Hexadecyltrimethylammonium bromide,LZZYPRNAOMGNLH-UHFFFAOYSA-M,"N,N,N-Trimethylhexadecan-1-aminium bromide",[Br-].CCCCCCCCCCCCCCCC[N+](C)(C)C,"InChI=1S/C19H42N.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4;/h5-19H2,1-4H3;1H/q+1;/p-1",C19H42BrN,363.250063
2454,Hexadecanoic acid,57-10-3,DTXSID2021602,985,Hexadecanoic acid,IPCSVZSSVZVIGE-UHFFFAOYSA-N,Hexadecanoic acid,CCCCCCCCCCCCCCCC(O)=O,"InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)",C16H32O2,256.2402303
2455,Octadecanoic acid,57-11-4,DTXSID8021642,5281,Octadecanoic acid,QIQXTHQIDYTFRH-UHFFFAOYSA-N,Octadecanoic acid,CCCCCCCCCCCCCCCCCC(O)=O,"InChI=1S/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20)",C18H36O2,284.2715304
2456,"1,2-Propylene glycol",57-55-6,DTXSID0021206,1030,"1,2-Propylene glycol",DNIAPMSPPWPWGF-UHFFFAOYSA-N,"Propane-1,2-diol",CC(O)CO,"InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3",C3H8O2,76.0524295
2457,Chlordane,57-74-9,DTXSID7020267,5993,Chlordane,BIWJNBZANLAXMG-UHFFFAOYSA-N,"1,2,4,5,6,7,8,8-Octachloro-2,3,3a,4,7,7a-hexahydro-1H-4,7-methanoindene",ClC1CC2C(C1Cl)C1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl,"InChI=1S/C10H6Cl8/c11-3-1-2-4(5(3)12)9(16)7(14)6(13)8(2,15)10(9,17)18/h2-5H,1H2",C10H6Cl8,405.7977718
2458,Cholesterol,57-88-5,DTXSID3022401,5997,Cholesterol,HVYWMOMLDIMFJA-DPAQBDIFSA-N,Cholest-5-en-3beta-ol,[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)C,"InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1",C27H46O,386.3548661
2459,Cholest-5-ene,570-74-1,DTXSID50862216,440663,Cholest-5-ene,DTGDZMYNKLTSKC-HKQCOZBKSA-N,Cholest-5-ene,[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4CCCC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)C,"InChI=1S/C27H46/c1-19(2)9-8-10-20(3)23-14-15-24-22-13-12-21-11-6-7-17-26(21,4)25(22)16-18-27(23,24)5/h12,19-20,22-25H,6-11,13-18H2,1-5H3/t20-,22+,23-,24+,25+,26+,27-/m1/s1",C27H46,370.3599515
2460,"2,3,4,7,8-Pentachlorodibenzofuran",57117-31-4,DTXSID7030066,42128,"2,3,4,7,8-Pentachlorodibenzofuran",OGBQILNBLMPPDP-UHFFFAOYSA-N,"2,3,4,7,8-Pentachlorodibenzo[b,d]furan",ClC1=CC2=C(C=C1Cl)C1=C(O2)C(Cl)=C(Cl)C(Cl)=C1,InChI=1S/C12H3Cl5O/c13-6-1-4-5-2-8(15)10(16)11(17)12(5)18-9(4)3-7(6)14/h1-3H,C12H3Cl5O,337.8626532
2461,"1,2,3,7,8-Pentachlorodibenzofuran",57117-41-6,DTXSID7052234,42138,"1,2,3,7,8-Pentachlorodibenzofuran",SBMIVUVRFPGOEB-UHFFFAOYSA-N,"1,2,3,7,8-Pentachlorodibenzo[b,d]furan",ClC1=CC2=C(C3=CC(Cl)=C(Cl)C=C3O2)C(Cl)=C1Cl,InChI=1S/C12H3Cl5O/c13-5-1-4-8(2-6(5)14)18-9-3-7(15)11(16)12(17)10(4)9/h1-3H,C12H3Cl5O,337.8626532
2462,"1,2,3,6,7,8-Hexachlorodibenzofuran",57117-44-9,DTXSID2069155,42140,"1,2,3,6,7,8-Hexachlorodibenzofuran",JEYJJJXOFWNEHN-UHFFFAOYSA-N,"1,2,3,6,7,8-Hexachlorodibenzo[b,d]furan",ClC1=CC2=C(C3=C(O2)C(Cl)=C(Cl)C(Cl)=C3)C(Cl)=C1Cl,InChI=1S/C12H2Cl6O/c13-4-1-3-7-6(2-5(14)8(15)10(7)17)19-12(3)11(18)9(4)16/h1-2H,C12H2Cl6O,371.8236809
2463,"1-(3,6-Dihydro-1(2H)-pyridinyl)-1-butanone (ACI)",57150-46-6,,579185,"1-(3,6-Dihydro-1(2H)-pyridinyl)-1-butanone (ACI)",WDCQRYZVFWSXFI-UHFFFAOYSA-N,"1-(3,6-dihydro-2H-pyridin-1-yl)butan-1-one",O=C(N1CC=CCC1)CCC,"InChI=1S/C9H15NO/c1-2-6-9(11)10-7-4-3-5-8-10/h3-4H,2,5-8H2,1H3",C9H15NO,153.115
2464,"Methyl 2,5-octadecadiynoate",57156-91-9,DTXSID60205791,42151,"Methyl 2,5-octadecadiynoate",XQDLQQYTXOVDQQ-UHFFFAOYSA-N,"Methyl octadeca-2,5-diynoate",CCCCCCCCCCCCC#CCC#CC(=O)OC,"InChI=1S/C19H30O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h3-13,16H2,1-2H3",C19H30O2,290.2245802
2465,"Methyl 12,15-octadecadienoate (ACI)",57156-97-5,,548866,"Methyl 12,15-octadecadienoate (ACI)",SQXLGHNKHZNVRT-UHFFFAOYSA-N,"methyl octadeca-12,15-dienoate",O=C(OC)CCCCCCCCCCC=CCC=CCC,"InChI=1S/C19H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h4-5,7-8H,3,6,9-18H2,1-2H3",C19H34O2,294.256
2466,(Z)-3-phenylprop-2-enal,57194-69-1,DTXSID101020957,6428995,(Z)-3-phenylprop-2-enal,KJPRLNWUNMBNBZ-DAXSKMNVSA-N,,O=C\C=C/C1=CC=CC=C1,InChI=1S/C9H8O/c10-8-4-7-9-5-2-1-3-6-9/h1-8H/b7-4-,C9H8O,132.0575149
2467,"1,2-Dimethylnaphthalene",573-98-8,DTXSID1058717,11317,"1,2-Dimethylnaphthalene",QNLZIZAQLLYXTC-UHFFFAOYSA-N,"1,2-Dimethylnaphthalene",CC1=C(C)C2=CC=CC=C2C=C1,"InChI=1S/C12H12/c1-9-7-8-11-5-3-4-6-12(11)10(9)2/h3-8H,1-2H3",C12H12,156.0939004
2468,4'-ethyl-4-biphenylcarboxylic acid,5731-13-5,DTXSID20880826,521801,4'-ethyl-4-biphenylcarboxylic acid,SCEBDBNGUCNRCE-UHFFFAOYSA-N,"4'-Ethyl[1,1'-biphenyl]-4-carboxylic acid",CCC1=CC=C(C=C1)C1=CC=C(C=C1)C(O)=O,"InChI=1S/C15H14O2/c1-2-11-3-5-12(6-4-11)13-7-9-14(10-8-13)15(16)17/h3-10H,2H2,1H3,(H,16,17)",C15H14O2,226.0993797
2469,"2-Pyrimidinamine, 4-chloro-6-methoxy-",5734-64-5,DTXSID7073357,79811,"2-Pyrimidinamine, 4-chloro-6-methoxy-",VFEYBTFCBZMBAU-UHFFFAOYSA-N,4-Chloro-6-methoxypyrimidin-2-amine,COC1=CC(Cl)=NC(N)=N1,"InChI=1S/C5H6ClN3O/c1-10-4-2-3(6)8-5(7)9-4/h2H,1H3,(H2,7,8,9)",C5H6ClN3O,159.0199395
2470,"4-tert-Butyl-2,6-diisopropylphenol",57354-65-1,DTXSID20205954,171582,"4-tert-Butyl-2,6-diisopropylphenol",JERVKJDPAKUDRH-UHFFFAOYSA-N,"4-tert-Butyl-2,6-di(propan-2-yl)phenol",CC(C)C1=CC(=CC(C(C)C)=C1O)C(C)(C)C,"InChI=1S/C16H26O/c1-10(2)13-8-12(16(5,6)7)9-14(11(3)4)15(13)17/h8-11,17H,1-7H3",C16H26O,234.1983655
2471,"2,3-Dibromophenol",57383-80-9,DTXSID501334116,34264,"2,3-Dibromophenol",FNAKEOXYWBWIRT-UHFFFAOYSA-N,"2,3-Dibromophenol",OC1=CC=CC(Br)=C1Br,"InChI=1S/C6H4Br2O/c7-4-2-1-3-5(9)6(4)8/h1-3,9H",C6H4Br2O,249.862891
2472,"2,3,5-Tribromophenol (ACI)",57383-81-0,,32930,"2,3,5-Tribromophenol (ACI)",SKDJCHZVXDLVIE-UHFFFAOYSA-N,"2,3,5-tribromophenol",BrC=1C=C(Br)C(Br)=C(O)C1,"InChI=1S/C6H3Br3O/c7-3-1-4(8)6(9)5(10)2-3/h1-2,10H",C6H3Br3O,327.773
2473,"1-[(3,4-Dihydroxyphenyl)methyl]-7-hydroxyisoquinolin-6(2H)-one",574-77-6,DTXSID50972889,5459346,Papaveroline,MXQKCNCLQIHHJA-UHFFFAOYSA-N,"1-[(3,4-Dihydroxyphenyl)methyl]-7-hydroxyisoquinolin-6(2H)-one",OC1=CC2=CC=NC(CC3=CC(O)=C(O)C=C3)=C2C=C1O,"InChI=1S/C16H13NO4/c18-13-2-1-9(6-14(13)19)5-12-11-8-16(21)15(20)7-10(11)3-4-17-12/h1-4,6-8,18-21H,5H2",C16H13NO4,283.0844579
2474,PBB 009,57422-77-2,DTXSID5074763,180583,PBB 009,MHQCPXUMZCNOSF-UHFFFAOYSA-N,"2,5-Dibromo-1,1'-biphenyl",BrC1=CC(=C(Br)C=C1)C1=CC=CC=C1,InChI=1S/C12H8Br2/c13-10-6-7-12(14)11(8-10)9-4-2-1-3-5-9/h1-8H,C12H8Br2,309.899276
2475,Tetradecahydrophenanthrene,5743-97-5,DTXSID10880678,21971,Tetradecahydrophenanthrene,GNMCGMFNBARSIY-UHFFFAOYSA-N,Tetradecahydrophenanthrene,C1CCC2C(C1)CCC1CCCCC21,"InChI=1S/C14H24/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13/h11-14H,1-10H2",C14H24,192.1878008
2476,Dipropylene glycol diacrylate,57472-68-1,DTXSID2052237,,Dipropylene glycol diacrylate,,,,,,
2477,"1,7-Dimethylnaphthalene",575-37-1,DTXSID7073197,11326,"1,7-Dimethylnaphthalene",SPUWFVKLHHEKGV-UHFFFAOYSA-N,"1,7-Dimethylnaphthalene",CC1=CC=C2C=CC=C(C)C2=C1,"InChI=1S/C12H12/c1-9-6-7-11-5-3-4-10(2)12(11)8-9/h3-8H,1-2H3",C12H12,156.0939004
2478,"1,6-Dimethylnaphthalene",575-43-9,DTXSID7022415,11328,"1,6-Dimethylnaphthalene",CBMXCNPQDUJNHT-UHFFFAOYSA-N,"1,6-Dimethylnaphthalene",CC1=CC2=C(C=C1)C(C)=CC=C2,"InChI=1S/C12H12/c1-9-6-7-12-10(2)4-3-5-11(12)8-9/h3-8H,1-2H3",C12H12,156.0939004
2479,"butane, 2-cyclopropyl-",5750-02-7,DTXSID70880735,138579,"butane, 2-cyclopropyl-",INSSHDIMRIMVLZ-UHFFFAOYSA-N,(Butan-2-yl)cyclopropane,CCC(C)C1CC1,"InChI=1S/C7H14/c1-3-6(2)7-4-5-7/h6-7H,3-5H2,1-2H3",C7H14,98.10955045
2480,"Tetrasulfide, dimethyl",5756-24-1,DTXSID0063997,79828,"Tetrasulfide, dimethyl",NPNIZCVKXVRCHF-UHFFFAOYSA-N,Dimethyltetrasulfane,CSSSSC,InChI=1S/C2H6S4/c1-3-5-6-4-2/h1-2H3,C2H6S4,157.9352349
2481,Tetraphenyl m-phenylene bis(phosphate),57583-54-7,DTXSID8069197,93311,Tetraphenyl m-phenylene bis(phosphate),OWICEWMBIBPFAH-UHFFFAOYSA-N,"Tetraphenyl 1,3-phenylene bis(phosphate)",O=P(OC1=CC=CC=C1)(OC1=CC=CC=C1)OC1=CC(OP(=O)(OC2=CC=CC=C2)OC2=CC=CC=C2)=CC=C1,"InChI=1S/C30H24O8P2/c31-39(33-25-14-5-1-6-15-25,34-26-16-7-2-8-17-26)37-29-22-13-23-30(24-29)38-40(32,35-27-18-9-3-10-19-27)36-28-20-11-4-12-21-28/h1-24H",C30H24O8P2,574.0946417
2482,"1,2,3,6,7,8-Hexachlorodibenzo-p-dioxin",57653-85-7,DTXSID0023824,42540,"1,2,3,6,7,8-Hexachlorodibenzo-p-dioxin",YCLUIPQDHHPDJJ-UHFFFAOYSA-N,"1,2,3,6,7,8-Hexachlorooxanthrene",ClC1=CC2=C(OC3=CC(Cl)=C(Cl)C(Cl)=C3O2)C(Cl)=C1Cl,InChI=1S/C12H2Cl6O2/c13-3-1-5-11(9(17)7(3)15)20-6-2-4(14)8(16)10(18)12(6)19-5/h1-2H,C12H2Cl6O2,387.8185955
2483,"(3?,5?,12?)-3,12-Bis(acetyloxy)pregn-16-en-20-one (ACI)",5767-82-8,,22213278,"(3?,5?,12?)-3,12-Bis(acetyloxy)pregn-16-en-20-one (ACI)",UCOLWRRHMWHIQI-NOVBWGJXSA-N,"[(3S,5S,8R,9S,10S,12S,13S,14S)-17-acetyl-12-acetyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate",O=C(OC1CCC2(C)C(CCC3C4CC=C(C(=O)C)C4(C)C(OC(=O)C)CC32)C1)C,"InChI=1S/C25H36O5/c1-14(26)20-8-9-21-19-7-6-17-12-18(29-15(2)27)10-11-24(17,4)22(19)13-23(25(20,21)5)30-16(3)28/h8,17-19,21-23H,6-7,9-13H2,1-5H3",C25H36O5,416.256
2484,"2-Biphenylol, 5-tert-butyl-",577-92-4,DTXSID00206409,11351,"2-Biphenylol, 5-tert-butyl-",IYPYKRAEQZVXSC-UHFFFAOYSA-N,"5-tert-Butyl[1,1'-biphenyl]-2-ol",CC(C)(C)C1=CC(=C(O)C=C1)C1=CC=CC=C1,"InChI=1S/C16H18O/c1-16(2,3)13-9-10-15(17)14(11-13)12-7-5-4-6-8-12/h4-11,17H,1-3H3",C16H18O,226.1357652
2485,6-tridecanol,5770-03-6,DTXSID00880849,98973,6-tridecanol,HAIXKKLECRWLIX-UHFFFAOYSA-N,Tridecan-6-ol,CCCCCCCC(O)CCCCC,"InChI=1S/C13H28O/c1-3-5-7-8-10-12-13(14)11-9-6-4-2/h13-14H,3-12H2,1-2H3",C13H28O,200.2140155
2486,"myo-Inositol, 1,2,3,4,5,6-hexabutanoate (ACI)",5776-51-2,,,"myo-Inositol, 1,2,3,4,5,6-hexabutanoate (ACI)",BPLHFMFLOOJRFC-KYIWIJABNA-N,,O=C(OC1C(OC(=O)CCC)C(OC(=O)CCC)C(OC(=O)CCC)C(OC(=O)CCC)C1OC(=O)CCC)CCC,"InChI=1S/C30H48O12/c1-7-13-19(31)37-25-26(38-20(32)14-8-2)28(40-22(34)16-10-4)30(42-24(36)18-12-6)29(41-23(35)17-11-5)27(25)39-21(33)15-9-3/h25-30H,7-18H2,1-6H3",,
2487,"2,3-Dimethylbenzaldehyde (ACI)",5779-93-1,DTXSID901346389,34224,"2,3-Dimethylbenzaldehyde",UIFVCPMLQXKEEU-UHFFFAOYSA-N,"2,3-Dimethylbenzaldehyde",CC1=CC=CC(C=O)=C1C,"InChI=1S/C9H10O/c1-7-4-3-5-9(6-10)8(7)2/h3-6H,1-2H3",C9H10O,134.0731649
2488,"Benzaldehyde, 3,5-dimethyl-",5779-95-3,DTXSID00206484,34225,"Benzaldehyde, 3,5-dimethyl-",NBEFMISJJNGCIZ-UHFFFAOYSA-N,"3,5-Dimethylbenzaldehyde",CC1=CC(C=O)=CC(C)=C1,"InChI=1S/C9H10O/c1-7-3-8(2)5-9(4-7)6-10/h3-6H,1-2H3",C9H10O,134.0731649
2489,"hexane, 3,4-diphenyl-",5789-31-1,DTXSID90880813,521817,"hexane, 3,4-diphenyl-",JTJWVUQPSOFEPZ-UHFFFAOYSA-N,"1,1'-(Hexane-3,4-diyl)dibenzene",CCC(C(CC)C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C18H22/c1-3-17(15-11-7-5-8-12-15)18(4-2)16-13-9-6-10-14-16/h5-14,17-18H,3-4H2,1-2H3",C18H22,238.1721507
2490,"4-(1-Cyanoethyl)-1,2,3,4-tetrahydronaphthalene-1-carbonitrile",57964-39-3,DTXSID2057576,154379,"4-(1-Cyanoethyl)-1,2,3,4-tetrahydronaphthalene-1-carbonitrile",FDTQTOKRWQJRAC-UHFFFAOYSA-N,"4-(1-Cyanoethyl)-1,2,3,4-tetrahydronaphthalene-1-carbonitrile",CC(C#N)C1CCC(C#N)C2=C1C=CC=C2,"InChI=1S/C14H14N2/c1-10(8-15)12-7-6-11(9-16)13-4-2-3-5-14(12)13/h2-5,10-12H,6-7H2,1H3",C14H14N2,210.1156985
2491,"4-Cyano-1,2,3,4-tetrahydro-1-naphthaleneacetonitrile",57964-40-6,DTXSID90872319,154380,"4-Cyano-1,2,3,4-tetrahydro-1-naphthaleneacetonitrile",JRUGFHHEKLYFPC-UHFFFAOYSA-N,"4-(2-Cyanoethyl)-1,2,3,4-tetrahydronaphthalene-1-carbonitrile",N#CCCC1CCC(C#N)C2=CC=CC=C12,"InChI=1S/C14H14N2/c15-9-3-4-11-7-8-12(10-16)14-6-2-1-5-13(11)14/h1-2,5-6,11-12H,3-4,7-8H2",C14H14N2,210.1156985
2492,Caffeine,58-08-2,DTXSID0020232,2519,Caffeine,RYYVLZVUVIJVGH-UHFFFAOYSA-N,"1,3,7-Trimethyl-3,7-dihydro-1H-purine-2,6-dione",CN1C=NC2=C1C(=O)N(C)C(=O)N2C,"InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3",C8H10N4O2,194.0803756
2493,Lindane,58-89-9,DTXSID2020686,,Lindane,JLYXXMFPNIAWKQ-GNIYUCBRNA-N,"(1R,2S,3r,4R,5S,6r)-1,2,3,4,5,6-Hexachlorocyclohexane",Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@@H](Cl)[C@H](Cl)[C@H]1Cl,"InChI=1S/C6H6Cl6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-6H/t1-,2-,3-,4+,5+,6+",C6H6Cl6,287.8600664
2494,"2,3,4,6-Tetrachlorophenol",58-90-2,DTXSID9021716,6028,"2,3,4,6-Tetrachlorophenol",VGVRPFIJEJYOFN-UHFFFAOYSA-N,"2,3,4,6-Tetrachlorophenol",OC1=C(Cl)C(Cl)=C(Cl)C=C1Cl,"InChI=1S/C6H2Cl4O/c7-2-1-3(8)6(11)5(10)4(2)9/h1,11H",C6H2Cl4O,229.8859755
2495,D-alpha-Tocopheryl acetate,58-95-7,DTXSID1031096,86472,D-alpha-Tocopheryl acetate,ZAKOWWREFLAJOT-CEFNRUSXSA-N,"(2R)-2,5,7,8-Tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-1-benzopyran-6-yl acetate",CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)CCC2=C(O1)C(C)=C(C)C(OC(C)=O)=C2C,"InChI=1S/C31H52O3/c1-21(2)13-10-14-22(3)15-11-16-23(4)17-12-19-31(9)20-18-28-26(7)29(33-27(8)32)24(5)25(6)30(28)34-31/h21-23H,10-20H2,1-9H3/t22-,23-,31-/m1/s1",C31H52O3,472.3916455
2496,"Phenol, 2,4-bis(1,1,3,3-tetramethylbutyl)-",5806-72-4,DTXSID8064010,79870,"Phenol, 2,4-bis(1,1,3,3-tetramethylbutyl)-",DNYCICZKXQGHBJ-UHFFFAOYSA-N,"2,4-Bis(2,4,4-trimethylpentan-2-yl)phenol",CC(C)(C)CC(C)(C)C1=CC(=C(O)C=C1)C(C)(C)CC(C)(C)C,"InChI=1S/C22H38O/c1-19(2,3)14-21(7,8)16-11-12-18(23)17(13-16)22(9,10)15-20(4,5)6/h11-13,23H,14-15H2,1-10H3",C22H38O,318.2922658
2497,"2-(1,1-Dimethylethyl)-4-(1,1,3,3-tetramethylbutyl)phenol (ACI)",5806-73-5,,605573,"2-(1,1-Dimethylethyl)-4-(1,1,3,3-tetramethylbutyl)phenol (ACI)",AXULBNVQAIUGAS-UHFFFAOYSA-N,"2-tert-butyl-4-(2,4,4-trimethylpentan-2-yl)phenol",OC1=CC=C(C=C1C(C)(C)C)C(C)(C)CC(C)(C)C,"InChI=1S/C18H30O/c1-16(2,3)12-18(7,8)13-9-10-15(19)14(11-13)17(4,5)6/h9-11,19H,12H2,1-8H3",C18H30O,262.23
2498,Vinyl myristate,5809-91-6,DTXSID80337947,545633,Vinyl myristate,ZQZUENMXBZVXIZ-UHFFFAOYSA-N,Ethenyl tetradecanoate,CCCCCCCCCCCCCC(=O)OC=C,"InChI=1S/C16H30O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16(17)18-4-2/h4H,2-3,5-15H2,1H3",C16H30O2,254.2245802
2499,"2,3-Dimethylnaphthalene",581-40-8,DTXSID2060383,11386,"2,3-Dimethylnaphthalene",WWGUMAYGTYQSGA-UHFFFAOYSA-N,"2,3-Dimethylnaphthalene",CC1=C(C)C=C2C=CC=CC2=C1,"InChI=1S/C12H12/c1-9-7-11-5-3-4-6-12(11)8-10(9)2/h3-8H,1-2H3",C12H12,156.0939004
2500,"2,6-Dimethylnaphthalene",581-42-0,DTXSID0029187,11387,"2,6-Dimethylnaphthalene",YGYNBBAUIYTWBF-UHFFFAOYSA-N,"2,6-Dimethylnaphthalene",CC1=CC2=C(C=C1)C=C(C)C=C2,"InChI=1S/C12H12/c1-9-3-5-12-8-10(2)4-6-11(12)7-9/h3-8H,1-2H3",C12H12,156.0939004
2501,"Ethanone, 2-hydroxy-1-phenyl-",582-24-1,DTXSID7060388,68490,"Ethanone, 2-hydroxy-1-phenyl-",ZWVHTXAYIKBMEE-UHFFFAOYSA-N,2-Hydroxy-1-phenylethan-1-one,OCC(=O)C1=CC=CC=C1,"InChI=1S/C8H8O2/c9-6-8(10)7-4-2-1-3-5-7/h1-5,9H,6H2",C8H8O2,136.0524295
2502,"Benzoic acid, allyl ester",583-04-0,DTXSID9073913,11406,"Benzoic acid, allyl ester",LYJHVEDILOKZCG-UHFFFAOYSA-N,Prop-2-en-1-yl benzoate,C=CCOC(=O)C1=CC=CC=C1,"InChI=1S/C10H10O2/c1-2-8-12-10(11)9-6-4-3-5-7-9/h2-7H,1,8H2",C10H10O2,162.0680796
2503,"1,8,15,22-Tetraazacyclooctacosane-2,9,16,23-tetrone",5834-63-9,DTXSID00207072,79912,"1,8,15,22-Tetraazacyclooctacosane-2,9,16,23-tetrone",LAIGWNLGTIDKPL-UHFFFAOYSA-N,"1,8,15,22-Tetraazacyclooctacosane-2,9,16,23-tetrone",O=C1CCCCCNC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCCCN1,"InChI=1S/C24H44N4O4/c29-21-13-5-1-9-17-25-22(30)14-6-2-11-19-27-24(32)16-8-4-12-20-28-23(31)15-7-3-10-18-26-21/h1-20H2,(H,25,30)(H,26,29)(H,27,32)(H,28,31)",C24H44N4O4,452.3362559
2504,Allethrin,584-79-2,DTXSID8035180,11442,Allethrin,ZCVAOQKBXKSDMS-UHFFFAOYSA-N,"2-Methyl-4-oxo-3-(prop-2-en-1-yl)cyclopent-2-en-1-yl 2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropane-1-carboxylate",CC(C)=CC1C(C(=O)OC2CC(=O)C(CC=C)=C2C)C1(C)C,"InChI=1S/C19H26O3/c1-7-8-13-12(4)16(10-15(13)20)22-18(21)17-14(9-11(2)3)19(17,5)6/h7,9,14,16-17H,1,8,10H2,2-6H3",C19H26O3,302.1881947
2505,"Toluene 2,4-diisocyanate",584-84-9,DTXSID7026156,11443,"Toluene 2,4-diisocyanate",DVKJHBMWWAPEIU-UHFFFAOYSA-N,"2,4-Diisocyanato-1-methylbenzene",CC1=CC=C(C=C1N=C=O)N=C=O,"InChI=1S/C9H6N2O2/c1-7-2-3-8(10-5-12)4-9(7)11-6-13/h2-4H,1H3",C9H6N2O2,174.0429274
2506,"2,2,4-Trimethylpent-3-en-1-ol",5842-53-5,DTXSID50207128,79926,"2,2,4-Trimethylpent-3-en-1-ol",BIIWBYUXAOCDCC-UHFFFAOYSA-N,"2,2,4-Trimethylpent-3-en-1-ol",CC(C)=CC(C)(C)CO,"InChI=1S/C8H16O/c1-7(2)5-8(3,4)6-9/h5,9H,6H2,1-4H3",C8H16O,128.1201151
2507,tert-Butyl methacrylate,585-07-9,DTXSID3060405,11448,tert-Butyl methacrylate,SJMYWORNLPSJQO-UHFFFAOYSA-N,tert-Butyl 2-methylprop-2-enoate,CC(=C)C(=O)OC(C)(C)C,"InChI=1S/C8H14O2/c1-6(2)7(9)10-8(3,4)5/h1H2,2-5H3",C8H14O2,142.0993797
2508,"2,3-Octanedione",585-25-1,DTXSID60207215,11449,"2,3-Octanedione",XCBBNTFYSLADTO-UHFFFAOYSA-N,"Octane-2,3-dione",CCCCCC(=O)C(C)=O,"InChI=1S/C8H14O2/c1-3-4-5-6-8(10)7(2)9/h3-6H2,1-2H3",C8H14O2,142.0993797
2509,"1,4-Diisopropyl-2-methylbenzene",58502-85-5,DTXSID50207224,143557,"1,4-Diisopropyl-2-methylbenzene",BRXCOIOOGGCKPZ-UHFFFAOYSA-N,"2-Methyl-1,4-di(propan-2-yl)benzene",CC(C)C1=CC(C)=C(C=C1)C(C)C,"InChI=1S/C13H20/c1-9(2)12-6-7-13(10(3)4)11(5)8-12/h6-10H,1-5H3",C13H20,176.1565006
2510,Tetrapentacontane,5856-66-6,DTXSID80334754,521846,Tetrapentacontane,OPRWEYHEIDHWGM-UHFFFAOYSA-N,Tetrapentacontane,CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C54H110/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-54H2,1-2H3",C54H110,758.8607535
2511,Terpinolene,586-62-9,DTXSID0027222,11463,Terpinolene,MOYAFQVGZZPNRA-UHFFFAOYSA-N,1-Methyl-4-(propan-2-ylidene)cyclohex-1-ene,CC(C)=C1CCC(C)=CC1,"InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4H,5-7H2,1-3H3",C10H16,136.1252005
2512,Isoterpinolene,586-63-0,DTXSID80862244,102443,Isoterpinolene,CIPXOBMYVWRNLL-UHFFFAOYSA-N,3-Methyl-6-(propan-2-ylidene)cyclohex-1-ene,CC1CCC(C=C1)=C(C)C,"InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,6,9H,5,7H2,1-3H3",C10H16,136.1252005
2513,"3-cyclohexen-1-ol, 1-methyl-4-(1-methylethyl)-",586-82-3,DTXSID40862245,11468,1-Terpinenol,XJWZDXFFNOMMTD-UHFFFAOYSA-N,1-Methyl-4-(propan-2-yl)cyclohex-3-en-1-ol,CC(C)C1=CCC(C)(O)CC1,"InChI=1S/C10H18O/c1-8(2)9-4-6-10(3,11)7-5-9/h4,8,11H,5-7H2,1-3H3",C10H18O,154.1357652
2514,Isopiperitone,58615-39-7,DTXSID901017518,,Isopiperitone,,,,,,
2515,"2,5-bis(1,1-dimethylethyl)phenol",5875-45-6,DTXSID0064046,79983,"2,5-Bis(1,1-dimethylethyl)phenol",KDBZVULQVCUNNA-UHFFFAOYSA-N,"2,5-Di-tert-butylphenol",CC(C)(C)C1=CC(O)=C(C=C1)C(C)(C)C,"InChI=1S/C14H22O/c1-13(2,3)10-7-8-11(12(15)9-10)14(4,5)6/h7-9,15H,1-6H3",C14H22O,206.1670653
2516,6-[(Prop-2-yn-1-yl)oxy]hexan-1-ol,58757-86-1,DTXSID80602127,20071434,6-[(Prop-2-yn-1-yl)oxy]hexan-1-ol,YTNZKCVKQFVCJY-UHFFFAOYSA-N,6-[(Prop-2-yn-1-yl)oxy]hexan-1-ol,OCCCCCCOCC#C,"InChI=1S/C9H16O2/c1-2-8-11-9-6-4-3-5-7-10/h1,10H,3-9H2",C9H16O2,156.1150298
2517,6-Methylergoline-8-carboxylic acid,5878-43-3,DTXSID90974307,3080620,6-Methylergoline-8-carboxylic acid,ORBSYPFBZQJNJE-GYYYEOQOSA-N,(10xi)-6-Methylergoline-8beta-carboxylic acid,[H][C@@]1(CN(C)[C@]2([H])CC3=CNC4=CC=CC(=C34)C2([H])C1)C(O)=O,"InChI=1S/C16H18N2O2/c1-18-8-10(16(19)20)5-12-11-3-2-4-13-15(11)9(7-17-13)6-14(12)18/h2-4,7,10,12,14,17H,5-6,8H2,1H3,(H,19,20)/t10-,12?,14-/m1/s1",C16H18N2O2,270.1368278
2518,Stilbene,588-59-0,DTXSID6060424,11502,Stilbene,PJANXHGTPQOBST-UHFFFAOYSA-N,"1,1'-(Ethene-1,2-diyl)dibenzene",C(=CC1=CC=CC=C1)C1=CC=CC=C1,InChI=1S/C14H12/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14/h1-12H,C14H12,180.0939004
2519,4-(Trifluoroacetyl)benzoic acid,58808-59-6,DTXSID30207540,143579,4-(Trifluoroacetyl)benzoic acid,WLTZCRCZDLLXQP-UHFFFAOYSA-N,4-(Trifluoroacetyl)benzoic acid,OC(=O)C1=CC=C(C=C1)C(=O)C(F)(F)F,"InChI=1S/C9H5F3O3/c10-9(11,12)7(13)5-1-3-6(4-2-5)8(14)15/h1-4H,(H,14,15)",C9H5F3O3,218.0190785
2520,Isobornyl acrylate,5888-33-5,DTXSID5052250,,Isobornyl acrylate,PSGCQDPCAWOCSH-OBXUXIKANA-N,"(1S,2S,4S)-1,7,7-Trimethylbicyclo[2.2.1]heptan-2-yl prop-2-enoate",CC1(C)[C@H]2CC[C@]1(C)[C@H](C2)OC(=O)C=C,"InChI=1S/C13H20O2/c1-5-11(14)15-10-8-9-6-7-13(10,4)12(9,2)3/h5,9-10H,1,6-8H2,2-4H3/t9-,10-,13+/m0/s1",C13H20O2,208.1463299
2521,3-Hexanone,589-38-8,DTXSID2021608,11509,3-Hexanone,PFCHFHIRKBAQGU-UHFFFAOYSA-N,Hexan-3-one,CCCC(=O)CC,"InChI=1S/C6H12O/c1-3-5-6(7)4-2/h3-5H2,1-2H3",C6H12O,100.088815
2522,"2,4-Dimethylhexane",589-43-5,DTXSID60873237,11511,"2,4-Dimethylhexane",HDGQICNBXPAKLR-UHFFFAOYSA-N,"2,4-Dimethylhexane",CCC(C)CC(C)C,"InChI=1S/C8H18/c1-5-8(4)6-7(2)3/h7-8H,5-6H2,1-4H3",C8H18,114.1408506
2523,2-Methylpropyl but-2-enoate,589-66-2,DTXSID7047691,61135,2-Methylpropyl but-2-enoate,XDOWKOALJBOBBL-UHFFFAOYSA-N,2-Methylpropyl but-2-enoate,CC=CC(=O)OCC(C)C,"InChI=1S/C8H14O2/c1-4-5-8(9)10-6-7(2)3/h4-5,7H,6H2,1-3H3",C8H14O2,142.0993797
2524,"(+/-)-2,3-Dihydroxypropyl tetradecanoate",589-68-4,DTXSID0042454,79050,"(+/-)-2,3-Dihydroxypropyl tetradecanoate",DCBSHORRWZKAKO-UHFFFAOYSA-N,"2,3-Dihydroxypropyl tetradecanoate",CCCCCCCCCCCCCC(=O)OCC(O)CO,"InChI=1S/C17H34O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(20)21-15-16(19)14-18/h16,18-19H,2-15H2,1H3",C17H34O4,302.2457096
2525,"Heptane, 3-methyl-",589-81-1,DTXSID90862250,11519,3-Methylheptane,LAIUFBWHERIJIH-UHFFFAOYSA-N,3-Methylheptane,CCCCC(C)CC,"InChI=1S/C8H18/c1-4-6-7-8(3)5-2/h8H,4-7H2,1-3H3",C8H18,114.1408506
2526,alpha-Vitamin E,59-02-9,DTXSID0026339,14985,alpha-Vitamin E,GVJHHUAWPYXKBD-IEOSBIPESA-N,"(2R)-2,5,7,8-Tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-1-benzopyran-6-ol",CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)CCC2=C(O1)C(C)=C(C)C(O)=C2C,"InChI=1S/C29H50O2/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8)19-17-26-25(7)27(30)23(5)24(6)28(26)31-29/h20-22,30H,9-19H2,1-8H3/t21-,22-,29-/m1/s1",C29H50O2,430.3810809
2527,2(1H)-Quinolinone,59-31-4,DTXSID1058769,6038,2(1H)-Quinolinone,LISFMEBWQUVKPJ-UHFFFAOYSA-N,Quinolin-2(1H)-one,O=C1NC2=CC=CC=C2C=C1,"InChI=1S/C9H7NO/c11-9-6-5-7-3-1-2-4-8(7)10-9/h1-6H,(H,10,11)",C9H7NO,145.0527638
2528,Butyl propionate,590-01-2,DTXSID5027223,11529,Butyl propionate,BTMVHUNTONAYDX-UHFFFAOYSA-N,Butyl propanoate,CCCCOC(=O)CC,"InChI=1S/C7H14O2/c1-3-5-6-9-7(8)4-2/h3-6H2,1-2H3",C7H14O2,130.0993797
2529,3-Methylbutanal,590-86-3,DTXSID1021619,11552,3-Methylbutanal,YGHRJJRRZDOVPD-UHFFFAOYSA-N,3-Methylbutanal,CC(C)CC=O,"InChI=1S/C5H10O/c1-5(2)3-4-6/h4-5H,3H2,1-2H3",C5H10O,86.07316494
2530,"2-Butanone, 4-hydroxy-",590-90-9,DTXSID4060442,111509,"2-Butanone, 4-hydroxy-",LVSQXDHWDCMMRJ-UHFFFAOYSA-N,4-Hydroxybutan-2-one,CC(=O)CCO,"InChI=1S/C4H8O2/c1-4(6)2-3-5/h5H,2-3H2,1H3",C4H8O2,88.0524295
2531,PBB 030,59080-33-0,DTXSID5074767,92358,PBB 030,YCLZBYQDXVJFII-UHFFFAOYSA-N,"2,4,6-Tribromo-1,1'-biphenyl",BrC1=CC(Br)=C(C(Br)=C1)C1=CC=CC=C1,InChI=1S/C12H7Br3/c13-9-6-10(14)12(11(15)7-9)8-4-2-1-3-5-8/h1-7H,C12H7Br3,387.809789
2532,PBB 018,59080-34-1,DTXSID5074765,554868,PBB 018,IYDNWMCMGNRWET-UHFFFAOYSA-N,"2,2',5-Tribromo-1,1'-biphenyl",BrC1=CC(=C(Br)C=C1)C1=C(Br)C=CC=C1,InChI=1S/C12H7Br3/c13-8-5-6-12(15)10(7-8)9-3-1-2-4-11(9)14/h1-7H,C12H7Br3,387.809789
2533,PBB 103,59080-39-6,DTXSID9074771,181214,PBB 103,NVKQKAZYUPPRJX-UHFFFAOYSA-N,"2,2',4,5',6-Pentabromo-1,1'-biphenyl",BrC1=CC(=C(Br)C=C1)C1=C(Br)C=C(Br)C=C1Br,InChI=1S/C12H5Br5/c13-6-1-2-9(15)8(3-6)12-10(16)4-7(14)5-11(12)17/h1-5H,C12H5Br5,543.630815
2534,"2,2',4,4',5,5'-Hexabromobiphenyl",59080-40-9,DTXSID70858838,42948,"2,2',4,4',5,5'-Hexabromobiphenyl",HMBBJSKXDBUNNT-UHFFFAOYSA-N,"2,2',4,4',5,5'-Hexabromo-1,1'-biphenyl",BrC1=CC(Br)=C(C=C1Br)C1=C(Br)C=C(Br)C(Br)=C1,InChI=1S/C12H4Br6/c13-7-3-11(17)9(15)1-5(7)6-2-10(16)12(18)4-8(6)14/h1-4H,C12H4Br6,621.541328
2536,"3,5-Dichlorophenol",591-35-5,DTXSID2025006,11571,"3,5-Dichlorophenol",VPOMSPZBQMDLTM-UHFFFAOYSA-N,"3,5-Dichlorophenol",OC1=CC(Cl)=CC(Cl)=C1,"InChI=1S/C6H4Cl2O/c7-4-1-5(8)3-6(9)2-4/h1-3,9H",C6H4Cl2O,161.9639201
2537,"2,4-Nonadienal, (2E,4E)-",5910-87-2,DTXSID30884198,5283339,"2,4-Nonadienal, (2E,4E)-",ZHHYXNZJDGDGPJ-BSWSSELBSA-N,"(2E,4E)-Nona-2,4-dienal",CCCC\C=C\C=C\C=O,"InChI=1S/C9H14O/c1-2-3-4-5-6-7-8-9-10/h5-9H,2-4H2,1H3/b6-5+,8-7+",C9H14O,138.1044651
2538,3-Methylnonane,5911-04-6,DTXSID70863649,22202,3-Methylnonane,PLZDDPSCZHRBOY-UHFFFAOYSA-N,3-Methylnonane,CCCCCCC(C)CC,"InChI=1S/C10H22/c1-4-6-7-8-9-10(3)5-2/h10H,4-9H2,1-3H3",C10H22,142.1721507
2539,"Hexanoic acid, 2-ethyl-, hexadecyl ester",59130-69-7,DTXSID20866741,42956,"Hexanoic acid, 2-ethyl-, hexadecyl ester",XJNUECKWDBNFJV-UHFFFAOYSA-N,Hexadecyl 2-ethylhexanoate,CCCCCCCCCCCCCCCCOC(=O)C(CC)CCCC,"InChI=1S/C24H48O2/c1-4-7-9-10-11-12-13-14-15-16-17-18-19-20-22-26-24(25)23(6-3)21-8-5-2/h23H,4-22H2,1-3H3",C24H48O2,368.3654308
2540,Terbutylazine,5915-41-3,DTXSID4027608,22206,Terbutylazine,FZXISNSWEXTPMF-UHFFFAOYSA-N,"N~2~-tert-Butyl-6-chloro-N~4~-ethyl-1,3,5-triazine-2,4-diamine",CCNC1=NC(NC(C)(C)C)=NC(Cl)=N1,"InChI=1S/C9H16ClN5/c1-5-11-7-12-6(10)13-8(14-7)15-9(2,3)4/h5H2,1-4H3,(H2,11,12,13,14,15)",C9H16ClN5,229.1094232
2541,1-Isothiocyanatobutane,592-82-5,DTXSID7060467,11613,1-Isothiocyanatobutane,LIMQQADUEULBSO-UHFFFAOYSA-N,1-Isothiocyanatobutane,CCCCN=C=S,"InChI=1S/C5H9NS/c1-2-3-4-6-5-7/h2-4H2,1H3",C5H9NS,115.0455705
2542,"Formic acid, butyl ester",592-84-7,DTXSID2060468,11614,"Formic acid, butyl ester",NMJJFJNHVMGPGM-UHFFFAOYSA-N,Butyl formate,CCCCOC=O,"InChI=1S/C5H10O2/c1-2-3-4-7-5-6/h5H,2-4H2,1H3",C5H10O2,102.0680796
2543,"1,1-Dibutoxybutane",5921-80-2,DTXSID60207957,22210,"1,1-Dibutoxybutane",WQRBJFZKPWPIJD-UHFFFAOYSA-N,"1,1-Dibutoxybutane",CCCCOC(CCC)OCCCC,"InChI=1S/C12H26O2/c1-4-7-10-13-12(9-6-3)14-11-8-5-2/h12H,4-11H2,1-3H3",C12H26O2,202.1932801
2544,Hexyl glycidyl ether,5926-90-9,DTXSID9025405,22213,Hexyl glycidyl ether,JPEGUDKOYOIOOP-UHFFFAOYSA-N,2-[(Hexyloxy)methyl]oxirane,CCCCCCOCC1CO1,"InChI=1S/C9H18O2/c1-2-3-4-5-6-10-7-9-8-11-9/h9H,2-8H2,1H3",C9H18O2,158.1306798
2545,2-Tridecanone,593-08-8,DTXSID4022070,11622,2-Tridecanone,CYIFVRUOHKNECG-UHFFFAOYSA-N,Tridecan-2-one,CCCCCCCCCCCC(C)=O,"InChI=1S/C13H26O/c1-3-4-5-6-7-8-9-10-11-12-13(2)14/h3-12H2,1-2H3",C13H26O,198.1983655
2546,"tetradecane, 1-fluoro-",593-33-9,DTXSID10880875,79053,"tetradecane, 1-fluoro-",YRDSYPITPPQNED-UHFFFAOYSA-N,1-Fluorotetradecane,CCCCCCCCCCCCCCF,"InChI=1S/C14H29F/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h2-14H2,1H3",C14H29F,216.2253291
2547,Octadecane,593-45-3,DTXSID9047172,11635,Octadecane,RZJRJXONCZWCBN-UHFFFAOYSA-N,Octadecane,CCCCCCCCCCCCCCCCCC,"InChI=1S/C18H38/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h3-18H2,1-2H3",C18H38,254.2973512
2548,Heptacosane,593-49-7,DTXSID6058637,11636,Heptacosane,BJQWYEJQWHSSCJ-UHFFFAOYSA-N,Heptacosane,CCCCCCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C27H56/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-27H2,1-2H3",C27H56,380.4382018
2549,"2,2-Dichloropropane",594-20-7,DTXSID7030060,11660,"2,2-Dichloropropane",ZEOVXNVKXIPWMS-UHFFFAOYSA-N,"2,2-Dichloropropane",CC(C)(Cl)Cl,"InChI=1S/C3H6Cl2/c1-3(2,4)5/h1-2H3",C3H6Cl2,111.9846556
2550,"2,2,3,3-Tetramethylbutane",594-82-1,DTXSID9073204,11675,"2,2,3,3-Tetramethylbutane",OMMLUKLXGSRPHK-UHFFFAOYSA-N,"2,2,3,3-Tetramethylbutane",CC(C)(C)C(C)(C)C,"InChI=1S/C8H18/c1-7(2,3)8(4,5)6/h1-6H3",C8H18,114.1408506
2551,"2,2-Bis[4-[bis(phenoxy)phosphoryloxy]phenyl]propane",5945-33-5,DTXSID8052720,9874825,"2,2-Bis[4-[bis(phenoxy)phosphoryloxy]phenyl]propane",BQPNUOYXSVUVMY-UHFFFAOYSA-N,"Tetraphenyl (propane-2,2-diyl)di(4,1-phenylene) bis(phosphate)",CC(C)(C1=CC=C(OP(=O)(OC2=CC=CC=C2)OC2=CC=CC=C2)C=C1)C1=CC=C(OP(=O)(OC2=CC=CC=C2)OC2=CC=CC=C2)C=C1,"InChI=1S/C39H34O8P2/c1-39(2,31-23-27-37(28-24-31)46-48(40,42-33-15-7-3-8-16-33)43-34-17-9-4-10-18-34)32-25-29-38(30-26-32)47-49(41,44-35-19-11-5-12-20-35)45-36-21-13-6-14-22-36/h3-30H,1-2H3",C39H34O8P2,692.1728921
2552,"rel-(1R,4aS,8aR)-1,2,4a,5,8,8a-Hexahydro-4,7-dimethyl-1-(1-methylethyl)naphthalene (ACI)",5951-61-1,,,"rel-(1R,4aS,8aR)-1,2,4a,5,8,8a-Hexahydro-4,7-dimethyl-1-(1-methylethyl)naphthalene (ACI)",USDOQCCMRDNVAH-JCUKGLBFNA-N,,C1=C(C)CC2C(C(=CCC2C(C)C)C)C1,"InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5-6,10,13-15H,7-9H2,1-4H3",,
2553,Polybrominated biphenyls (PBB),59536-65-1,DTXSID5021174,,Polybrominated biphenyls (PBB),,,,,,
2554,"3-Ethenyl-3,4a,7,7,10a-pentamethyldodecahydro-1H-naphtho[2,1-b]pyran",596-84-9,DTXSID40975006,6453839,"3-Ethenyl-3,4a,7,7,10a-pentamethyldodecahydro-1H-naphtho[2,1-b]pyran",IGGWKHQYMAJOHK-QVHQYWGISA-N,"(3R,4aS,6aR,10aR,10bS)-3-Ethenyl-3,4a,7,7,10a-pentamethyldodecahydro-1H-naphtho[2,1-b]pyran",[H][C@]12CC[C@]3(C)O[C@](C)(CC[C@@]3([H])[C@]1(C)CCCC2(C)C)C=C,"InChI=1S/C20H34O/c1-7-18(4)13-9-16-19(5)12-8-11-17(2,3)15(19)10-14-20(16,6)21-18/h7,15-16H,1,8-14H2,2-6H3/t15-,16+,18+,19-,20+/m1/s1",C20H34O,290.2609657
2555,2-Methylpentyl benzoate,59736-57-1,DTXSID60341123,570433,2-Methylpentyl benzoate,OUNXTLNEKZMJFY-UHFFFAOYSA-N,2-Methylpentyl benzoate,CCCC(C)COC(=O)C1=CC=CC=C1,"InChI=1S/C13H18O2/c1-3-7-11(2)10-15-13(14)12-8-5-4-6-9-12/h4-6,8-9,11H,3,7,10H2,1-2H3",C13H18O2,206.1306798
2556,"1,1,2-Trichloropropane",598-77-6,DTXSID3024362,11733,"1,1,2-Trichloropropane",GRSQYISVQKPZCW-UHFFFAOYSA-N,"1,1,2-Trichloropropane",CC(Cl)C(Cl)Cl,"InChI=1S/C3H5Cl3/c1-2(4)3(5)6/h2-3H,1H3",C3H5Cl3,145.9456833
2557,"(1R,4S,4aS,6R,8aS)-4,8a,9,9-Tetramethyloctahydro-1,6-methanonaphthalen-1(2H)-ol",5986-55-0,DTXSID9052266,10955174,"(1R,4S,4aS,6R,8aS)-4,8a,9,9-Tetramethyloctahydro-1,6-methanonaphthalen-1(2H)-ol",GGHMUJBZYLPWFD-CUZKYEQNSA-N,"(1R,4S,4aS,6R,8aS)-4,8a,9,9-Tetramethyloctahydro-1,6-methanonaphthalen-1(2H)-ol",C[C@H]1CC[C@@]2(O)C(C)(C)[C@@H]3CC[C@@]2(C)[C@H]1C3,"InChI=1S/C15H26O/c1-10-5-8-15(16)13(2,3)11-6-7-14(15,4)12(10)9-11/h10-12,16H,5-9H2,1-4H3/t10-,11+,12-,14-,15+/m0/s1",C15H26O,222.1983655
2558,D-Limonene,5989-27-5,DTXSID1020778,440917,D-Limonene,XMGQYMWWDOXHJM-JTQLQIEISA-N,(4R)-1-Methyl-4-(prop-1-en-2-yl)cyclohex-1-ene,CC(=C)[C@@H]1CCC(C)=CC1,"InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3/t10-/m0/s1",C10H16,136.1252005
2559,4-Cumylphenol,599-64-4,DTXSID3022536,11742,4-Cumylphenol,QBDSZLJBMIMQRS-UHFFFAOYSA-N,4-(2-Phenylpropan-2-yl)phenol,CC(C)(C1=CC=CC=C1)C1=CC=C(O)C=C1,"InChI=1S/C15H16O/c1-15(2,12-6-4-3-5-7-12)13-8-10-14(16)11-9-13/h3-11,16H,1-2H3",C15H16O,212.1201151
2560,"Benzene, 1,1'-sulfonylbis[4-methyl-",599-66-6,DTXSID5060518,69030,"Benzene, 1,1'-sulfonylbis[4-methyl-",WEAYCYAIVOIUMG-UHFFFAOYSA-N,"1,1'-Sulfonylbis(4-methylbenzene)",CC1=CC=C(C=C1)S(=O)(=O)C1=CC=C(C)C=C1,"InChI=1S/C14H14O2S/c1-11-3-7-13(8-4-11)17(15,16)14-9-5-12(2)6-10-14/h3-10H,1-2H3",C14H14O2S,246.0714509
2561,2-Phenylethanol,60-12-8,DTXSID9026342,6054,2-Phenylethanol,WRMNZCZEMHIOCP-UHFFFAOYSA-N,2-Phenylethan-1-ol,OCCC1=CC=CC=C1,"InChI=1S/C8H10O/c9-7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2",C8H10O,122.0731649
2562,Aminocaproic acid,60-32-2,DTXSID0020070,564,Aminocaproic acid,SLXKOJJOQWFEFD-UHFFFAOYSA-N,6-Aminohexanoic acid,NCCCCCC(O)=O,"InChI=1S/C6H13NO2/c7-5-3-1-2-4-6(8)9/h1-5,7H2,(H,8,9)",C6H13NO2,131.0946287
2563,Linoleic acid,60-33-3,DTXSID2025505,5280450,Linoleic acid,OYHQOLUKZRVURQ-HZJYTTRNSA-N,"(9Z,12Z)-Octadeca-9,12-dienoic acid",CCCCC\C=C/C\C=C/CCCCCCCC(O)=O,"InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9-",C18H32O2,280.2402303
2564,Acetamide,60-35-5,DTXSID7020005,178,Acetamide,DLFVBJFMPXGRIB-UHFFFAOYSA-N,Acetamide,CC(N)=O,"InChI=1S/C2H5NO/c1-2(3)4/h1H3,(H2,3,4)",C2H5NO,59.03711379
2565,Dieldrin,60-57-1,DTXSID9020453,,Dieldrin,DFBKLUNHFCTMDC-PICURKEMNA-N,"rel-(1aR,2R,2aS,6R,6aR,7S,7aS)-3,4,5,6,9,9-Hexachloro-1a,2,2a,3,6,6a,7,7a-octahydro-2,7:3,6-dimethanonaphtho[2,3-b]oxirene",[H][C@]12O[C@@]1([H])[C@@]1([H])C[C@]2([H])[C@@]2([H])[C@]1([H])[C@@]1(Cl)C(Cl)=C(Cl)[C@]2(Cl)C1(Cl)Cl,"InChI=1S/C12H8Cl6O/c13-8-9(14)11(16)5-3-1-2(6-7(3)19-6)4(5)10(8,15)12(11,17)18/h2-7H,1H2/t2-,3+,4+,5-,6-,7+,10+,11-",C12H8Cl6O,377.8706311
2566,Methylpyruvate,600-22-6,DTXSID9049326,11748,Methylpyruvate,CWKLZLBVOJRSOM-UHFFFAOYSA-N,Methyl 2-oxopropanoate,COC(=O)C(C)=O,InChI=1S/C4H6O3/c1-3(5)4(6)7-2/h1-2H3,C4H6O3,102.0316941
2567,"2,4-Dimethyl-3-pentanol",600-36-2,DTXSID9022075,11752,"2,4-Dimethyl-3-pentanol",BAYAKMPRFGNNFW-UHFFFAOYSA-N,"2,4-Dimethylpentan-3-ol",CC(C)C(O)C(C)C,"InChI=1S/C7H16O/c1-5(2)7(8)6(3)4/h5-8H,1-4H3",C7H16O,116.1201151
2568,"Pregnan-?20-?one, 3,?7,?11-?trihydroxy-?, (3beta,?5alpha,?7alpha,?11alpha)?-",600-41-9,DTXSID001015927,154734439,"Pregnan-​20-​one, 3,​7,​11-​trihydroxy-​, (3beta,​5alpha,​7alpha,​11alpha)​-",ZKPHDPLZOIPZPS-FROIOXCKSA-N,"3beta,7alpha,11alpha-Trihydroxy-5alpha-pregnan-20-one",[H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)C[C@@H](O)[C@@]1([H])[C@@]2([H])[C@H](O)C[C@@]2([H])C[C@@H](O)CC[C@]12C,"InChI=1S/C21H34O4/c1-11(22)14-4-5-15-18-16(24)9-12-8-13(23)6-7-20(12,2)19(18)17(25)10-21(14,15)3/h12-19,23-25H,4-10H2,1-3H3/t12-,13+,14-,15+,16-,17-,18-,19+,20+,21-/m1/s1",C21H34O4,350.2457096
2569,"2,2',4,5'-Tetrabromo-1,1'-biphenyl",60044-24-8,DTXSID60866785,591320,"2,2',4,5'-Tetrabromo-1,1'-biphenyl",LUASYBWZXWTYKK-UHFFFAOYSA-N,"2,2',4,5'-Tetrabromo-1,1'-biphenyl",BrC1=CC=C(C(Br)=C1)C1=CC(Br)=CC=C1Br,InChI=1S/C12H6Br4/c13-7-2-4-11(15)10(5-7)9-3-1-8(14)6-12(9)16/h1-6H,C12H6Br4,465.720302
2570,"3,3',4,4',5,5'-Hexabromobiphenyl",60044-26-0,DTXSID10208772,104942,"3,3',4,4',5,5'-Hexabromobiphenyl",UXOOFXUEODCAIP-UHFFFAOYSA-N,"3,3',4,4',5,5'-Hexabromo-1,1'-biphenyl",BrC1=CC(=CC(Br)=C1Br)C1=CC(Br)=C(Br)C(Br)=C1,InChI=1S/C12H4Br6/c13-7-1-5(2-8(14)11(7)17)6-3-9(15)12(18)10(16)4-6/h1-4H,C12H4Br6,621.541328
2571,Stigmastane,601-58-1,DTXSID30425883,6857438,Stigmastane,GKBHKNPLNHLYHT-LWQAOISPSA-N,Stigmastane,CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4CCCC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,"InChI=1S/C29H52/c1-7-22(20(2)3)12-11-21(4)25-15-16-26-24-14-13-23-10-8-9-18-28(23,5)27(24)17-19-29(25,26)6/h20-27H,7-19H2,1-6H3/t21-,22-,23?,24+,25-,26+,27+,28+,29-/m1/s1",C29H52,400.4069017
2572,Pentan-2-ol,6032-29-7,DTXSID3052721,22386,Pentan-2-ol,JYVLIDXNZAXMDK-UHFFFAOYSA-N,Pentan-2-ol,CCCC(C)O,"InChI=1S/C5H12O/c1-3-4-5(2)6/h5-6H,3-4H2,1-2H3",C5H12O,88.08881501
2573,"2,2',4,4',5-Pentabromodiphenyl ether",60348-60-9,DTXSID9030048,36159,"2,2',4,4',5-Pentabromodiphenyl ether",WHPVYXDFIXRKLN-UHFFFAOYSA-N,"1,2,4-Tribromo-5-(2,4-dibromophenoxy)benzene",BrC1=CC(Br)=C(OC2=C(Br)C=C(Br)C(Br)=C2)C=C1,InChI=1S/C12H5Br5O/c13-6-1-2-11(9(16)3-6)18-12-5-8(15)7(14)4-10(12)17/h1-5H,C12H5Br5O,559.62573
2574,"(3S,5Z,8S,9S,11E)-3,4,9,10-Tetrahydro-8,9,14,16-tetrahydroxy-3-methyl-1H-2-benzoxacyclotetradecin-1,7(8H)-dione (ACI)",603986-56-7,,44597554,"(3S,5Z,8S,9S,11E)-3,4,9,10-Tetrahydro-8,9,14,16-tetrahydroxy-3-methyl-1H-2-benzoxacyclotetradecin-1,7(8H)-dione (ACI)",PVEKMPNUMRVXDU-DWCLIQAISA-N,"(4S,6Z,9S,10S,12E)-9,10,16,18-tetrahydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-dione",O=C1OC(C)CC=CC(=O)C(O)C(O)CC=CC=2C=C(O)C=C(O)C12,"InChI=1S/C18H20O7/c1-10-4-2-6-13(20)17(23)14(21)7-3-5-11-8-12(19)9-15(22)16(11)18(24)25-10/h2-3,5-6,8-10,14,17,19,21-23H,4,7H2,1H3",C18H20O7,348.121
2575,Narcissin flavonol,604-80-8,DTXSID00209157,5481663,Narcissin flavonol,UIDGLYUNOUKLBM-GEBJFKNCSA-N,"5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-1-benzopyran-3-yl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside",COC1=C(O)C=CC(=C1)C1=C(O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)C(=O)C2=C(O)C=C(O)C=C2O1,"InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(41-9)40-8-16-19(33)22(36)24(38)28(43-16)44-26-20(34)17-13(31)6-11(29)7-15(17)42-25(26)10-3-4-12(30)14(5-10)39-2/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3/t9-,16+,18-,19+,21+,22-,23+,24+,27+,28-/m0/s1",C28H32O16,624.169035
2576,1-Phenylnaphthalene,605-02-7,DTXSID8060539,11795,1-Phenylnaphthalene,IYDMICQAKLQHLA-UHFFFAOYSA-N,1-Phenylnaphthalene,C1=CC=C(C=C1)C1=C2C=CC=CC2=CC=C1,InChI=1S/C16H12/c1-2-7-13(8-3-1)16-12-6-10-14-9-4-5-11-15(14)16/h1-12H,C16H12,204.0939004
2577,"1,1'-Biphenyl, 2,2'-dimethyl-",605-39-0,DTXSID7060540,11797,"1,1'-Biphenyl, 2,2'-dimethyl-",ABMKWMASVFVTMD-UHFFFAOYSA-N,"2,2'-Dimethyl-1,1'-biphenyl",CC1=C(C=CC=C1)C1=C(C)C=CC=C1,"InChI=1S/C14H14/c1-11-7-3-5-9-13(11)14-10-6-4-8-12(14)2/h3-10H,1-2H3",C14H14,182.1095505
2578,Diisopropyl phthalate,605-45-8,DTXSID2040731,11799,Diisopropyl phthalate,QWDBCIAVABMJPP-UHFFFAOYSA-N,"Dipropan-2-yl benzene-1,2-dicarboxylate",CC(C)OC(=O)C1=CC=CC=C1C(=O)OC(C)C,"InChI=1S/C14H18O4/c1-9(2)17-13(15)11-7-5-6-8-12(11)14(16)18-10(3)4/h5-10H,1-4H3",C14H18O4,250.1205091
2579,Isoamyl phthalate,605-50-5,DTXSID80209236,69059,Isoamyl phthalate,JANBFCARANRIKJ-UHFFFAOYSA-N,"Bis(3-methylbutyl) benzene-1,2-dicarboxylate",CC(C)CCOC(=O)C1=CC=CC=C1C(=O)OCCC(C)C,"InChI=1S/C18H26O4/c1-13(2)9-11-21-17(19)15-7-5-6-8-16(15)18(20)22-12-10-14(3)4/h5-8,13-14H,9-12H2,1-4H3",C18H26O4,306.1831093
2580,"1,2-Benzenedicarboxylic acid, bis(2-ethoxyethyl) ester",605-54-9,DTXSID7060542,69060,"1,2-Benzenedicarboxylic acid, bis(2-ethoxyethyl) ester",RMKYMNRQXYPJHL-UHFFFAOYSA-N,"Bis(2-ethoxyethyl) benzene-1,2-dicarboxylate",CCOCCOC(=O)C1=C(C=CC=C1)C(=O)OCCOCC,"InChI=1S/C16H22O6/c1-3-19-9-11-21-15(17)13-7-5-6-8-14(13)16(18)22-12-10-20-4-2/h5-8H,3-4,9-12H2,1-2H3",C16H22O6,310.1416384
2581,Methyl o-benzoylbenzoate,606-28-0,DTXSID2060549,11816,Methyl o-benzoylbenzoate,NQSMEZJWJJVYOI-UHFFFAOYSA-N,Methyl 2-benzoylbenzoate,COC(=O)C1=C(C=CC=C1)C(=O)C1=CC=CC=C1,"InChI=1S/C15H12O3/c1-18-15(17)13-10-6-5-9-12(13)14(16)11-7-3-2-4-8-11/h2-10H,1H3",C15H12O3,240.0786442
2582,(Z)-14-Methylhexadec-8-enal,60609-53-2,DTXSID20880740,5364688,(Z)-14-Methylhexadec-8-enal,HSGUJTMCFWXGAP-ALCCZGGFSA-N,(8Z)-14-Methylhexadec-8-enal,CCC(C)CCCC\C=C/CCCCCCC=O,"InChI=1S/C17H32O/c1-3-17(2)15-13-11-9-7-5-4-6-8-10-12-14-16-18/h5,7,16-17H,3-4,6,8-15H2,1-2H3/b7-5-",C17H32O,252.2453157
2583,6-Dodecanone,6064-27-3,DTXSID90209444,80165,6-Dodecanone,ZAQZICGOYPRHCK-UHFFFAOYSA-N,Dodecan-6-one,CCCCCCC(=O)CCCCC,"InChI=1S/C12H24O/c1-3-5-7-9-11-12(13)10-8-6-4-2/h3-11H2,1-2H3",C12H24O,184.1827154
2584,CBMicro_014501,6069-97-2,DTXSID20417439,,CBMicro_014501,KHPGRQNVBQCFCJ-UHFFFAOYSA-N,"[4-(4-Fluorophenyl)piperazin-1-yl][5-(4-methylphenyl)-7-(trifluoromethyl)-1,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]methanone",CC1=CC=C(C=C1)C1CC(N2NC=C(C(=O)N3CCN(CC3)C3=CC=C(F)C=C3)C2=N1)C(F)(F)F,"InChI=1S/C25H25F4N5O/c1-16-2-4-17(5-3-16)21-14-22(25(27,28)29)34-23(31-21)20(15-30-34)24(35)33-12-10-32(11-13-33)19-8-6-18(26)7-9-19/h2-9,15,21-22,30H,10-14H2,1H3",C25H25F4N5O,487.1995231
2585,"Cyclohexane, 1-methyl-4-(1-methylethyl)-, cis-",6069-98-3,DTXSID30884219,,"Cyclohexane, 1-methyl-4-(1-methylethyl)-, cis-",CFJYNSNXFXLKNS-AOOOYVTPSA-N,"(1s,4s)-1-Methyl-4-(propan-2-yl)cyclohexane",CC(C)[C@@H]1CC[C@H](C)CC1,"InChI=1S/C10H20/c1-8(2)10-6-4-9(3)5-7-10/h8-10H,4-7H2,1-3H3/t9-,10+",C10H20,140.1565006
2586,Myristicin,607-91-0,DTXSID1025693,4276,Myristicin,BNWJOHGLIBDBOB-UHFFFAOYSA-N,"4-Methoxy-6-(prop-2-en-1-yl)-2H-1,3-benzodioxole",COC1=C2OCOC2=CC(CC=C)=C1,"InChI=1S/C11H12O3/c1-3-4-8-5-9(12-2)11-10(6-8)13-7-14-11/h3,5-6H,1,4,7H2,2H3",C11H12O3,192.0786442
2587,"2,6-Dibromophenol",608-33-3,DTXSID0060561,11847,"2,6-Dibromophenol",SSIZLKDLDKIHEV-UHFFFAOYSA-N,"2,6-Dibromophenol",OC1=C(Br)C=CC=C1Br,"InChI=1S/C6H4Br2O/c7-4-2-1-3-5(8)6(4)9/h1-3,9H",C6H4Br2O,249.862891
2588,Pentabromophenol,608-71-9,DTXSID9022079,11852,Pentabromophenol,SVHOVVJFOWGYJO-UHFFFAOYSA-N,Pentabromophenol,OC1=C(Br)C(Br)=C(Br)C(Br)=C1Br,InChI=1S/C6HBr5O/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H,C6HBr5O,483.59443
2589,"Benzene, pentabromo-",608-90-2,DTXSID90209646,11854,"1,2,3,4,5-Pentabromobenzene",LLVVSBBXENOOQY-UHFFFAOYSA-N,"1,2,3,4,5-Pentabromobenzene",BrC1=CC(Br)=C(Br)C(Br)=C1Br,InChI=1S/C6HBr5/c7-2-1-3(8)5(10)6(11)4(2)9/h1H,C6HBr5,467.599515
2590,Pentachlorobenzene,608-93-5,DTXSID7024247,11855,Pentachlorobenzene,CEOCDNVZRAIOQZ-UHFFFAOYSA-N,"1,2,3,4,5-Pentachlorobenzene",ClC1=CC(Cl)=C(Cl)C(Cl)=C1Cl,InChI=1S/C6HCl5/c7-2-1-3(8)5(10)6(11)4(2)9/h1H,C6HCl5,247.8520885
2591,"(2R,3R)-rel-Methyl 3-octyl-2-oxiraneoctanoate",6084-76-0,DTXSID901338158,,"(2R,3R)-rel-Methyl 3-octyl-2-oxiraneoctanoate",CAMHHLOGFDZBBG-HCAOVKSPNA-N,,CCCCCCCC[C@H]1O[C@@H]1CCCCCCCC(=O)OC,"InChI=1S/C19H36O3/c1-3-4-5-6-8-11-14-17-18(22-17)15-12-9-7-10-13-16-19(20)21-2/h17-18H,3-16H2,1-2H3/t17-,18-/m1/s1",C19H36O3,312.266445
2592,"2,3,4,6,7,8-Hexachlorodibenzo[b,d]furan",60851-34-5,DTXSID3052276,43495,"2,3,4,6,7,8-Hexachlorodibenzofuran",XTAHLACQOVXINQ-UHFFFAOYSA-N,"2,3,4,6,7,8-Hexachlorodibenzo[b,d]furan",ClC1=CC2=C(OC3=C(Cl)C(Cl)=C(Cl)C=C23)C(Cl)=C1Cl,InChI=1S/C12H2Cl6O/c13-5-1-3-4-2-6(14)8(16)10(18)12(4)19-11(3)9(17)7(5)15/h1-2H,C12H2Cl6O,371.8236809
2593,1-Methylanthracene,610-48-0,DTXSID3074787,11884,1-Methylanthracene,KZNJSFHJUQDYHE-UHFFFAOYSA-N,1-Methylanthracene,CC1=CC=CC2=CC3=CC=CC=C3C=C12,"InChI=1S/C15H12/c1-11-5-4-8-14-9-12-6-2-3-7-13(12)10-15(11)14/h2-10H,1H3",C15H12,192.0939004
2594,1-Ethyl-2-methylbenzene,611-14-3,DTXSID2050403,11903,1-Ethyl-2-methylbenzene,HYFLWBNQFMXCPA-UHFFFAOYSA-N,1-Ethyl-2-methylbenzene,CCC1=CC=CC=C1C,"InChI=1S/C9H12/c1-3-9-7-5-4-6-8(9)2/h4-7H,3H2,1-2H3",C9H12,120.0939004
2595,8-Methylquinoline,611-32-5,DTXSID8020888,11910,8-Methylquinoline,JRLTTZUODKEYDH-UHFFFAOYSA-N,8-Methylquinoline,CC1=CC=CC2=CC=CN=C12,"InChI=1S/C10H9N/c1-8-4-2-5-9-6-3-7-11-10(8)9/h2-7H,1H3",C10H9N,143.0734993
2596,Phenylglyoxylic acid,611-73-4,DTXSID80209993,11915,Phenylglyoxylic acid,FAQJJMHZNSSFSM-UHFFFAOYSA-N,Oxo(phenyl)acetic acid,OC(=O)C(=O)C1=CC=CC=C1,"InChI=1S/C8H6O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5H,(H,10,11)",C8H6O3,150.0316941
2597,"3,4-Diethylbiphenyl",61141-66-0,DTXSID90210035,43551,"3,4-Diethylbiphenyl",ZTLWBQOFTIFRHI-UHFFFAOYSA-N,"3,4-Diethyl-1,1'-biphenyl",CCC1=C(CC)C=C(C=C1)C1=CC=CC=C1,"InChI=1S/C16H18/c1-3-13-10-11-16(12-14(13)4-2)15-8-6-5-7-9-15/h5-12H,3-4H2,1-2H3",C16H18,210.1408506
2598,"4,6-Dimethyldodecane",61141-72-8,DTXSID70873324,545627,"4,6-Dimethyldodecane",FNUQJWPIADDMRS-UHFFFAOYSA-N,"4,6-Dimethyldodecane",CCCCCCC(C)CC(C)CCC,"InChI=1S/C14H30/c1-5-7-8-9-11-14(4)12-13(3)10-6-2/h13-14H,5-12H2,1-4H3",C14H30,198.234751
2599,"1,1?-(1-Ethenyl-1,3-propanediyl)bis[benzene] (ACI)",61141-97-7,,576094,"1,1?-(1-Ethenyl-1,3-propanediyl)bis[benzene] (ACI)",CNHSYMXTPGADKW-UHFFFAOYSA-N,3-phenylpent-4-enylbenzene,C=CC(C=1C=CC=CC1)CCC=2C=CC=CC2,"InChI=1S/C17H18/c1-2-16(17-11-7-4-8-12-17)14-13-15-9-5-3-6-10-15/h2-12,16H,1,13-14H2",C17H18,222.141
2600,"cyclopentene, 5-hexyl-3,3-dimethyl-",61142-66-3,DTXSID30880771,565483,"cyclopentene, 5-hexyl-3,3-dimethyl-",SWOOZOAQRTZTAL-UHFFFAOYSA-N,"5-Hexyl-3,3-dimethylcyclopent-1-ene",CCCCCCC1CC(C)(C)C=C1,"InChI=1S/C13H24/c1-4-5-6-7-8-12-9-10-13(2,3)11-12/h9-10,12H,4-8,11H2,1-3H3",C13H24,180.1878008
2601,1-Hexyl-3-methylcyclopentane,61142-68-5,DTXSID80337689,544055,1-Hexyl-3-methylcyclopentane,HWRYHSGAVPPRHI-UHFFFAOYSA-N,1-Hexyl-3-methylcyclopentane,CCCCCCC1CCC(C)C1,"InChI=1S/C12H24/c1-3-4-5-6-7-12-9-8-11(2)10-12/h11-12H,3-10H2,1-2H3",C12H24,168.1878008
2602,"2,4-Diethyl-1-methylcyclohexane",61142-70-9,DTXSID10338568,549947,"2,4-Diethyl-1-methylcyclohexane",IOHRVVBGMVEXIN-UHFFFAOYSA-N,"2,4-Diethyl-1-methylcyclohexane",CCC1CCC(C)C(CC)C1,"InChI=1S/C11H22/c1-4-10-7-6-9(3)11(5-2)8-10/h9-11H,4-8H2,1-3H3",C11H22,154.1721507
2603,4-Methyldodecane,6117-97-1,DTXSID1058638,521958,4-Methyldodecane,UZTXSMATBUWDDZ-UHFFFAOYSA-N,4-Methyldodecane,CCCCCCCCC(C)CCC,"InChI=1S/C13H28/c1-4-6-7-8-9-10-12-13(3)11-5-2/h13H,4-12H2,1-3H3",C13H28,184.2191009
2604,"1,1-Diphenylethane",612-00-0,DTXSID6041218,11918,"1,1-Diphenylethane",BSZXAFXFTLXUFV-UHFFFAOYSA-N,"1,1'-(Ethane-1,1-diyl)dibenzene",CC(C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C14H14/c1-12(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-12H,1H3",C14H14,182.1095505
2605,"1,1':3',1''-Terphenyl, 5'-phenyl-",612-71-5,DTXSID9073917,11930,"1,1':3',1''-Terphenyl, 5'-phenyl-",SXWIAEOZZQADEY-UHFFFAOYSA-N,"2~5~-Phenyl-1~1~,2~1~:2~3~,3~1~-terphenyl",C1=CC=C(C=C1)C1=CC(=CC(=C1)C1=CC=CC=C1)C1=CC=CC=C1,InChI=1S/C24H18/c1-4-10-19(11-5-1)22-16-23(20-12-6-2-7-13-20)18-24(17-22)21-14-8-3-9-15-21/h1-18H,C24H18,306.1408506
2606,"3,3'-Dimethylbiphenyl",612-75-9,DTXSID90210111,11931,"3,3'-Dimethylbiphenyl",GVEDOIATHPCYGS-UHFFFAOYSA-N,"3,3'-Dimethyl-1,1'-biphenyl",CC1=CC(=CC=C1)C1=CC=CC(C)=C1,"InChI=1S/C14H14/c1-11-5-3-7-13(9-11)14-8-4-6-12(2)10-14/h3-10H,1-2H3",C14H14,182.1095505
2607,2-Phenylnaphthalene,612-94-2,DTXSID8060614,11934,2-Phenylnaphthalene,TURIHPLQSRVWHU-UHFFFAOYSA-N,2-Phenylnaphthalene,C1=CC=C(C=C1)C1=CC=C2C=CC=CC2=C1,InChI=1S/C16H12/c1-2-6-13(7-3-1)16-11-10-14-8-4-5-9-15(14)12-16/h1-12H,C16H12,204.0939004
2608,"1,6,9-tetradecatriene",61233-71-4,DTXSID20880664,5362813,"1,6,9-tetradecatriene",FUAHVLYXVSZGAR-DCIPZJNNSA-N,"(6E,9E)-Tetradeca-1,6,9-triene",CCCC\C=C\C\C=C\CCCC=C,"InChI=1S/C14H24/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h3,10-13H,1,4-9,14H2,2H3/b12-10+,13-11+",C14H24,192.1878008
2609,2-Methylanthracene,613-12-7,DTXSID8060616,11936,2-Methylanthracene,GYMFBYTZOGMSQJ-UHFFFAOYSA-N,2-Methylanthracene,CC1=CC2=CC3=CC=CC=C3C=C2C=C1,"InChI=1S/C15H12/c1-11-6-7-14-9-12-4-2-3-5-13(12)10-15(14)8-11/h2-10H,1H3",C15H12,192.0939004
2610,"Anthracene, 9,10-dihydro-",613-31-0,DTXSID3075256,11940,"Anthracene, 9,10-dihydro-",WPDAVTSOEQEGMS-UHFFFAOYSA-N,"9,10-Dihydroanthracene",C1C2=CC=CC=C2CC2=C1C=CC=C2,"InChI=1S/C14H12/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1/h1-8H,9-10H2",C14H12,180.0939004
2611,"4,4'-Dimethylbiphenyl",613-33-2,DTXSID30210195,11941,"4,4'-Dimethylbiphenyl",RZTDESRVPFKCBH-UHFFFAOYSA-N,"4,4'-Dimethyl-1,1'-biphenyl",CC1=CC=C(C=C1)C1=CC=C(C)C=C1,"InChI=1S/C14H14/c1-11-3-7-13(8-4-11)14-9-5-12(2)6-10-14/h3-10H,1-2H3",C14H14,182.1095505
2612,2-Naphthalenecarbonitrile,613-46-7,DTXSID7060621,11944,2-Naphthalenecarbonitrile,AZKDTTQQTKDXLH-UHFFFAOYSA-N,Naphthalene-2-carbonitrile,N#CC1=CC=C2C=CC=CC2=C1,InChI=1S/C11H7N/c12-8-9-5-6-10-3-1-2-4-11(10)7-9/h1-7H,C11H7N,153.0578492
2613,"Naphthalene, 2-benzyl- (8CI)",613-59-2,DTXSID20210200,11948,"Naphthalene, 2-benzyl- (8CI)",JASHTKAXQWIZGF-UHFFFAOYSA-N,2-Benzylnaphthalene,C(C1=CC=CC=C1)C1=CC2=CC=CC=C2C=C1,"InChI=1S/C17H14/c1-2-6-14(7-3-1)12-15-10-11-16-8-4-5-9-17(16)13-15/h1-11,13H,12H2",C17H14,218.1095505
2614,o-Phenylenediacetonitrile,613-73-0,DTXSID00210203,69180,o-Phenylenediacetonitrile,FWPFXBANOKKNBR-UHFFFAOYSA-N,"2,2'-(1,2-Phenylene)diacetonitrile",N#CCC1=CC=CC=C1CC#N,"InChI=1S/C10H8N2/c11-7-5-9-3-1-2-4-10(9)6-8-12/h1-4H,5-6H2",C10H8N2,156.0687483
2615,N-Methylbenzamide,613-93-4,DTXSID5025570,11954,N-Methylbenzamide,NCCHARWOCKOHIH-UHFFFAOYSA-N,N-Methylbenzamide,CNC(=O)C1=CC=CC=C1,"InChI=1S/C8H9NO/c1-9-8(10)7-5-3-2-4-6-7/h2-6H,1H3,(H,9,10)",C8H9NO,135.0684139
2616,"3-fluoro-4-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,2-diol",61338-98-5,DTXSID40338253,547892,"3-fluoro-4-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,2-diol",KEYFTYUBFSDBRW-UHFFFAOYSA-N,"3-Fluoro-4-{1-hydroxy-2-[(propan-2-yl)amino]ethyl}benzene-1,2-diol",CC(C)NCC(O)C1=C(F)C(O)=C(O)C=C1,"InChI=1S/C11H16FNO3/c1-6(2)13-5-9(15)7-3-4-8(14)11(16)10(7)12/h3-4,6,9,13-16H,5H2,1-2H3",C11H16FNO3,229.1114215
2617,"Cyclodecene, 1,2-dimethyl-, (E)-",61349-20-0,DTXSID40338415,548992,"Cyclodecene, 1,2-dimethyl-, (E)-",JZRXFXNEYQUOLU-UHFFFAOYSA-N,"1,2-Dimethylcyclodec-1-ene",CC1=C(C)CCCCCCCC1,"InChI=1S/C12H22/c1-11-9-7-5-3-4-6-8-10-12(11)2/h3-10H2,1-2H3",C12H22,166.1721507
2618,4-Methylheptan-2-one,6137-06-0,DTXSID70976905,94317,4-Methylheptan-2-one,BIFPSSTVLFHHEI-UHFFFAOYSA-N,4-Methylheptan-2-one,CCCC(C)CC(C)=O,"InChI=1S/C8H16O/c1-4-5-7(2)6-8(3)9/h7H,4-6H2,1-3H3",C8H16O,128.1201151
2619,p-Tolyl benzoate,614-34-6,DTXSID6060632,11962,p-Tolyl benzoate,LLRZUDIHEZXFGV-UHFFFAOYSA-N,4-Methylphenyl benzoate,CC1=CC=C(OC(=O)C2=CC=CC=C2)C=C1,"InChI=1S/C14H12O2/c1-11-7-9-13(10-8-11)16-14(15)12-5-3-2-4-6-12/h2-10H,1H3",C14H12O2,212.0837296
2620,1-Isocyanato-2-methylbenzene,614-68-6,DTXSID7052286,69194,1-Isocyanato-2-methylbenzene,VAYMIYBJLRRIFR-UHFFFAOYSA-N,1-Isocyanato-2-methylbenzene,CC1=C(C=CC=C1)N=C=O,"InChI=1S/C8H7NO/c1-7-4-2-3-5-8(7)9-6-10/h2-5H,1H3",C8H7NO,133.0527638
2621,"3,4'-Di(propan-2-yl)-1,1'-biphenyl",61434-46-6,DTXSID00976993,123379,"3,4'-Di(propan-2-yl)-1,1'-biphenyl",LHNUPUGVRFQTLK-UHFFFAOYSA-N,"3,4'-Di(propan-2-yl)-1,1'-biphenyl",CC(C)C1=CC=C(C=C1)C1=CC=CC(=C1)C(C)C,"InChI=1S/C18H22/c1-13(2)15-8-10-16(11-9-15)18-7-5-6-17(12-18)14(3)4/h5-14H,1-4H3",C18H22,238.1721507
2622,Tris(2-chloropropyl) phosphate,6145-73-9,DTXSID3027615,22522,Tris(2-chloropropyl) phosphate,GTRSAMFYSUBAGN-UHFFFAOYSA-N,Tris(2-chloropropyl) phosphate,CC(Cl)COP(=O)(OCC(C)Cl)OCC(C)Cl,"InChI=1S/C9H18Cl3O4P/c1-7(10)4-14-17(13,15-5-8(2)11)16-6-9(3)12/h7-9H,4-6H2,1-3H3",C9H18Cl3O4P,326.0008292
2623,"trans-1-Methyl-4-(1-methylethenyl)-1,4-cyclohexanediol (ACI)",61465-23-4,DTXSID701354588,577045,"1-Isopropenyl-4-methyl-1,4-cyclohexanediol",NOEYMSNOKJWDPH-UHFFFAOYSA-N,,CC(=C)C1(O)CCC(C)(O)CC1,"InChI=1S/C10H18O2/c1-8(2)10(12)6-4-9(3,11)5-7-10/h11-12H,1,4-7H2,2-3H3",C10H18O2,170.1306798
2624,2-(Methylthio)benzothiazole,615-22-5,DTXSID70274236,11989,2-(Methylthio)benzothiazole,UTBVIMLZIRIFFR-UHFFFAOYSA-N,"2-(Methylsulfanyl)-1,3-benzothiazole",CSC1=NC2=CC=CC=C2S1,"InChI=1S/C8H7NS2/c1-10-8-9-6-4-2-3-5-7(6)11-8/h2-5H,1H3",C8H7NS2,181.0019916
2626,"2,4-Dibromophenol",615-58-7,DTXSID1052290,12005,"2,4-Dibromophenol",FAXWFCTVSHEODL-UHFFFAOYSA-N,"2,4-Dibromophenol",OC1=C(Br)C=C(Br)C=C1,"InChI=1S/C6H4Br2O/c7-4-1-2-6(9)5(8)3-4/h1-3,9H",C6H4Br2O,249.862891
2628,"2,4-imidazolidinedione, 5-methyl-",616-03-5,DTXSID90880934,69216,2-Phenylpropionic acid,VMAQYKGITHDWKL-UHFFFAOYSA-N,"5-Methylimidazolidine-2,4-dione",CC1NC(=O)NC1=O,"InChI=1S/C4H6N2O2/c1-2-3(7)6-4(8)5-2/h2H,1H3,(H2,5,6,7,8)",C4H6N2O2,114.0429274
2629,Dimethyl carbonate,616-38-6,DTXSID9029192,12021,Dimethyl carbonate,IEJIGPNLZYLLBP-UHFFFAOYSA-N,Dimethyl carbonate,COC(=O)OC,InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3,C3H6O3,90.03169405
2630,n-Pentylmalonic acid,616-88-6,DTXSID90210611,12034,n-Pentylmalonic acid,LAWHHRXCBUNWFI-UHFFFAOYSA-N,Pentylpropanedioic acid,CCCCCC(C(O)=O)C(O)=O,"InChI=1S/C8H14O4/c1-2-3-4-5-6(7(9)10)8(11)12/h6H,2-5H2,1H3,(H,9,10)(H,11,12)",C8H14O4,174.0892089
2631,Nercolan F,61614-23-1,,,,,,,,,
2632,7-Methyltetradecane,6165-39-5,DTXSID30977236,529903,7-Methyltetradecane,QUMVEMCGRQYIQG-UHFFFAOYSA-N,7-Methyltetradecane,CCCCCCCC(C)CCCCCC,"InChI=1S/C15H32/c1-4-6-8-10-12-14-15(3)13-11-9-7-5-2/h15H,4-14H2,1-3H3",C15H32,212.250401
2633,7-Methylpentadecane,6165-40-8,DTXSID60873318,22545,7-Methylpentadecane,MOKGOCMIDWMCHO-UHFFFAOYSA-N,7-Methylpentadecane,CCCCCCCCC(C)CCCCCC,"InChI=1S/C16H34/c1-4-6-8-10-11-13-15-16(3)14-12-9-7-5-2/h16H,4-15H2,1-3H3",C16H34,226.2660511
2634,Octyl prop-1-en-1-yl ethanedioate,61670-32-4,DTXSID90815327,71393568,Octyl prop-1-en-1-yl ethanedioate,SHKNOFQDNWWTJR-UHFFFAOYSA-N,Octyl prop-1-en-1-yl ethanedioate,CCCCCCCCOC(=O)C(=O)OC=CC,"InChI=1S/C13H22O4/c1-3-5-6-7-8-9-11-17-13(15)12(14)16-10-4-2/h4,10H,3,5-9,11H2,1-2H3",C13H22O4,242.1518092
2635,o-Tolyl benzoate,617-02-7,DTXSID30210695,69231,o-Tolyl benzoate,YPMKPCAILYDVBN-UHFFFAOYSA-N,2-Methylphenyl benzoate,CC1=CC=CC=C1OC(=O)C1=CC=CC=C1,"InChI=1S/C14H12O2/c1-11-7-5-6-10-13(11)16-14(15)12-8-3-2-4-9-12/h2-10H,1H3",C14H12O2,212.0837296
2636,2-Phenylpropan-2-ol,617-94-7,DTXSID3027247,12053,2-Phenylpropan-2-ol,BDCFWIDZNLCTMF-UHFFFAOYSA-N,2-Phenylpropan-2-ol,CC(C)(O)C1=CC=CC=C1,"InChI=1S/C9H12O/c1-9(2,10)8-6-4-3-5-7-8/h3-7,10H,1-2H3",C9H12O,136.088815
2637,Hexyl isodecyl phthalate,61702-81-6,DTXSID2069492,109126,Hexyl isodecyl phthalate,LPYUOHUCVXCMSY-UHFFFAOYSA-N,"Hexyl 8-methylnonyl benzene-1,2-dicarboxylate",CCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCC(C)C,"InChI=1S/C24H38O4/c1-4-5-6-13-18-27-23(25)21-16-11-12-17-22(21)24(26)28-19-14-9-7-8-10-15-20(2)3/h11-12,16-17,20H,4-10,13-15,18-19H2,1-3H3",C24H38O4,390.2770097
2638,"Nonane-2,4-dione",6175-23-1,DTXSID50210753,80314,"Nonane-2,4-dione",KFBXUKHERGLHLG-UHFFFAOYSA-N,"Nonane-2,4-dione",CCCCCC(=O)CC(C)=O,"InChI=1S/C9H16O2/c1-3-4-5-6-9(11)7-8(2)10/h3-7H2,1-2H3",C9H16O2,156.1150298
2639,2-Dodecanone,6175-49-1,DTXSID4022236,22556,2-Dodecanone,LSKONYYRONEBKA-UHFFFAOYSA-N,Dodecan-2-one,CCCCCCCCCCC(C)=O,"InChI=1S/C12H24O/c1-3-4-5-6-7-8-9-10-11-12(2)13/h3-11H2,1-2H3",C12H24O,184.1827154
2640,"3,9-Dodecadiyne",61827-89-2,DTXSID30210817,143841,"3,9-Dodecadiyne",SLQXYOMUNKJHRV-UHFFFAOYSA-N,"Dodeca-3,9-diyne",CCC#CCCCCC#CCC,"InChI=1S/C12H18/c1-3-5-7-9-11-12-10-8-6-4-2/h3-4,9-12H2,1-2H3",C12H18,162.1408506
2641,"1,2,3,4,4a,5,6,7-Octahydro-4a,5-dimethyl-3-(1-methylethenyl)-1-naphthalenol (ACI)",61847-19-6,,20055145,"1,2,3,4,4a,5,6,7-Octahydro-4a,5-dimethyl-3-(1-methylethenyl)-1-naphthalenol (ACI)",DPDBSHAVHRQWMU-UHFFFAOYSA-N,"4a,5-dimethyl-3-prop-1-en-2-yl-2,3,4,5,6,7-hexahydro-1H-naphthalen-1-ol",OC1C2=CCCC(C)C2(C)CC(C(=C)C)C1,"InChI=1S/C15H24O/c1-10(2)12-8-14(16)13-7-5-6-11(3)15(13,4)9-12/h7,11-12,14,16H,1,5-6,8-9H2,2-4H3",C15H24O,220.183
2642,2-Methyl-1-hexadecene (ACI),61868-19-7,DTXSID001351183,521995,2-Methyl-1-hexadecene,DRLMBCPWFSTWNY-UHFFFAOYSA-N,,CCCCCCCCCCCCCCC(C)=C,"InChI=1S/C17H34/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17(2)3/h2,4-16H2,1,3H3",C17H34,238.2660511
2643,Isodecyl tridecyl phthalate,61886-60-0,DTXSID7069522,112770,Isodecyl tridecyl phthalate,TYLLMRSWXAGLFH-UHFFFAOYSA-N,"8-Methylnonyl tridecyl benzene-1,2-dicarboxylate",CCCCCCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCC(C)C,"InChI=1S/C31H52O4/c1-4-5-6-7-8-9-10-11-12-15-20-25-34-30(32)28-23-18-19-24-29(28)31(33)35-26-21-16-13-14-17-22-27(2)3/h18-19,23-24,27H,4-17,20-22,25-26H2,1-3H3",C31H52O4,488.3865602
2644,"3,4-Dimethylbenzoic acid",619-04-5,DTXSID5060693,12073,"3,4-Dimethylbenzoic acid",OPVAJFQBSDUNQA-UHFFFAOYSA-N,"3,4-Dimethylbenzoic acid",CC1=C(C)C=C(C=C1)C(O)=O,"InChI=1S/C9H10O2/c1-6-3-4-8(9(10)11)5-7(6)2/h3-5H,1-2H3,(H,10,11)",C9H10O2,150.0680796
2645,2-Menthen-1-ol,619-62-5,DTXSID20865512,526657,2-Menthen-1-ol,IZXYHAXVIZHGJV-UHFFFAOYSA-N,1-Methyl-4-(propan-2-yl)cyclohex-2-en-1-ol,CC(C)C1CCC(C)(O)C=C1,"InChI=1S/C10H18O/c1-8(2)9-4-6-10(3,11)7-5-9/h4,6,8-9,11H,5,7H2,1-3H3",C10H18O,154.1357652
2646,3-Ethylhexane,619-99-8,DTXSID6060713,12096,3-Ethylhexane,SFRKSDZMZHIISH-UHFFFAOYSA-N,3-Ethylhexane,CCCC(CC)CC,"InChI=1S/C8H18/c1-4-7-8(5-2)6-3/h8H,4-7H2,1-3H3",C8H18,114.1408506
2647,s-Chloroaminoisopropylaminotriazine,6190-65-4,DTXSID5037494,22563,Desethyl atrazine,DFWFIQKMSFGDCQ-UHFFFAOYSA-N,"6-Chloro-N~2~-(propan-2-yl)-1,3,5-triazine-2,4-diamine",CC(C)NC1=NC(Cl)=NC(N)=N1,"InChI=1S/C6H10ClN5/c1-3(2)9-6-11-4(7)10-5(8)12-6/h3H,1-2H3,(H3,8,9,10,11,12)",C6H10ClN5,187.062473
2648,"2-Ethylhexyl-2-cyano-3,3-diphenylacrylate",6197-30-4,DTXSID9025299,22571,"2-Ethylhexyl-2-cyano-3,3-diphenylacrylate",FMJSMJQBSVNSBF-UHFFFAOYSA-N,"2-Ethylhexyl 2-cyano-3,3-diphenylprop-2-enoate",CCCCC(CC)COC(=O)C(C#N)=C(C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C24H27NO2/c1-3-5-12-19(4-2)18-27-24(26)22(17-25)23(20-13-8-6-9-14-20)21-15-10-7-11-16-21/h6-11,13-16,19H,3-5,12,18H2,1-2H3",C24H27NO2,361.2041791
2649,Aniline,62-53-3,DTXSID8020090,6115,Aniline,PAYRUJLWNCNPSJ-UHFFFAOYSA-N,Aniline,NC1=CC=CC=C1,"InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2",C6H7N,93.05784923
2650,5-methyl-2-Furancarboxaldehyde,620-02-0,DTXSID1060714,12097,5-methyl-2-Furancarboxaldehyde,OUDFNZMQXZILJD-UHFFFAOYSA-N,5-Methylfuran-2-carbaldehyde,CC1=CC=C(O1)C=O,"InChI=1S/C6H6O2/c1-5-2-3-6(4-7)8-5/h2-4H,1H3",C6H6O2,110.0367794
2651,3-Ethyltoluene,620-14-4,DTXSID6050386,12100,3-Ethyltoluene,ZLCSFXXPPANWQY-UHFFFAOYSA-N,1-Ethyl-3-methylbenzene,CCC1=CC(C)=CC=C1,"InChI=1S/C9H12/c1-3-9-6-4-5-8(2)7-9/h4-7H,3H2,1-2H3",C9H12,120.0939004
2652,Dibenzyl sulphone,620-32-6,DTXSID70211040,69282,Dibenzyl sulphone,AWHNUHMUCGRKRA-UHFFFAOYSA-N,"1,1'-[Sulfonylbis(methylene)]dibenzene",O=S(=O)(CC1=CC=CC=C1)CC1=CC=CC=C1,"InChI=1S/C14H14O2S/c15-17(16,11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h1-10H,11-12H2",C14H14O2S,246.0714509
2653,"N,N'-Diphenyloxamide",620-81-5,DTXSID0060723,69288,"N,N'-Diphenyloxamide",FTWUXYZHDFCGSV-UHFFFAOYSA-N,"N~1~,N~2~-Diphenylethanediamide",O=C(NC1=CC=CC=C1)C(=O)NC1=CC=CC=C1,"InChI=1S/C14H12N2O2/c17-13(15-11-7-3-1-4-8-11)14(18)16-12-9-5-2-6-10-12/h1-10H,(H,15,17)(H,16,18)",C14H12N2O2,240.0898776
2654,Bis(4-hydroxyphenyl)methane,620-92-8,DTXSID9022445,12111,Bis(4-hydroxyphenyl)methane,PXKLMJQFEQBVLD-UHFFFAOYSA-N,"4,4'-Methylenediphenol",OC1=CC=C(CC2=CC=C(O)C=C2)C=C1,"InChI=1S/C13H12O2/c14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11/h1-8,14-15H,9H2",C13H12O2,200.0837296
2655,"2,2,6-Trimethyloctane",62016-28-8,DTXSID20334819,522006,"2,2,6-Trimethyloctane",NBIHFQKVSFKHGH-UHFFFAOYSA-N,"2,2,6-Trimethyloctane",CCC(C)CCCC(C)(C)C,"InChI=1S/C11H24/c1-6-10(2)8-7-9-11(3,4)5/h10H,6-9H2,1-5H3",C11H24,156.1878008
2656,"octane, 2,3,7-trimethyl-",62016-34-6,DTXSID40880747,43867,"octane, 2,3,7-trimethyl-",XJKKSYAVEVAGFX-UHFFFAOYSA-N,"2,3,7-Trimethyloctane",CC(C)CCCC(C)C(C)C,"InChI=1S/C11H24/c1-9(2)7-6-8-11(5)10(3)4/h9-11H,6-8H2,1-5H3",C11H24,156.1878008
2657,"2,4,6-Trimethyloctane",62016-37-9,DTXSID30337937,545612,"2,4,6-Trimethyloctane",XHNIFDXYGLPJLP-UHFFFAOYSA-N,"2,4,6-Trimethyloctane",CCC(C)CC(C)CC(C)C,"InChI=1S/C11H24/c1-6-10(4)8-11(5)7-9(2)3/h9-11H,6-8H2,1-5H3",C11H24,156.1878008
2658,1-Chloroheptacosane,62016-79-9,DTXSID70873081,545593,1-Chloroheptacosane,SHDKPHGPBNHILS-UHFFFAOYSA-N,1-Chloroheptacosane,CCCCCCCCCCCCCCCCCCCCCCCCCCCCl,"InChI=1S/C27H55Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28/h2-27H2,1H3",C27H55Cl,414.3992295
2659,N-Benzyl-N-hydroxy-1-phenylmethanamine,621-07-8,DTXSID3044702,69297,N-Benzyl-N-hydroxy-1-phenylmethanamine,GXELTROTKVKZBQ-UHFFFAOYSA-N,N-Benzyl-N-hydroxy-1-phenylmethanamine,ON(CC1=CC=CC=C1)CC1=CC=CC=C1,"InChI=1S/C14H15NO/c16-15(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h1-10,16H,11-12H2",C14H15NO,213.1153641
2660,2-Monostearoylglycerol,621-61-4,DTXSID70873440,79075,2-Monostearoylglycerol,YQEMORVAKMFKLG-UHFFFAOYSA-N,"1,3-Dihydroxypropan-2-yl octadecanoate",CCCCCCCCCCCCCCCCCC(=O)OC(CO)CO,"InChI=1S/C21H42O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-20(18-22)19-23/h20,22-23H,2-19H2,1H3",C21H42O4,358.3083098
2661,"2,6,7-Trimethyldecane",62108-25-2,DTXSID10866912,43924,"2,6,7-Trimethyldecane",OBRONVGOGGDKLB-UHFFFAOYSA-N,"2,6,7-Trimethyldecane",CCCC(C)C(C)CCCC(C)C,"InChI=1S/C13H28/c1-6-8-12(4)13(5)10-7-9-11(2)3/h11-13H,6-10H2,1-5H3",C13H28,184.2191009
2662,"2,6,8-Trimethyldecane",62108-26-3,DTXSID50337934,545608,"2,6,8-Trimethyldecane",SWDJLVOSNCGQGB-UHFFFAOYSA-N,"2,6,8-Trimethyldecane",CCC(C)CC(C)CCCC(C)C,"InChI=1S/C13H28/c1-6-12(4)10-13(5)9-7-8-11(2)3/h11-13H,6-10H2,1-5H3",C13H28,184.2191009
2663,"decane, 2,4,6-trimethyl-",62108-27-4,DTXSID90880838,537327,"decane, 2,4,6-trimethyl-",NPHSALVLRUCAFH-UHFFFAOYSA-N,"2,4,6-Trimethyldecane",CCCCC(C)CC(C)CC(C)C,"InChI=1S/C13H28/c1-6-7-8-12(4)10-13(5)9-11(2)3/h11-13H,6-10H2,1-5H3",C13H28,184.2191009
2664,"4-Ethyl-2,2,6,6-tetramethylheptane",62108-31-0,DTXSID90211168,43925,"4-Ethyl-2,2,6,6-tetramethylheptane",HCYDMRODXAVTKT-UHFFFAOYSA-N,"4-Ethyl-2,2,6,6-tetramethylheptane",CCC(CC(C)(C)C)CC(C)(C)C,"InChI=1S/C13H28/c1-8-11(9-12(2,3)4)10-13(5,6)7/h11H,8-10H2,1-7H3",C13H28,184.2191009
2665,Cervonic acid,6217-54-5,DTXSID5040465,445580,Cervonic acid,MBMBGCFOFBJSGT-KUBAVDMBSA-N,"(4Z,7Z,10Z,13Z,16Z,19Z)-Docosa-4,7,10,13,16,19-hexaenoic acid",CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(O)=O,"InChI=1S/C22H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h3-4,6-7,9-10,12-13,15-16,18-19H,2,5,8,11,14,17,20-21H2,1H3,(H,23,24)/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-",C22H32O2,328.2402303
2666,"Octane, 2,2,4,4-tetramethyl-",62183-79-3,DTXSID70211227,182333,"Octane, 2,2,4,4-tetramethyl-",TYUFTNSABIBNRY-UHFFFAOYSA-N,"2,2,4,4-Tetramethyloctane",CCCCC(C)(C)CC(C)(C)C,"InChI=1S/C12H26/c1-7-8-9-12(5,6)10-11(2,3)4/h7-10H2,1-6H3",C12H26,170.2034508
2667,"3,4,5,6-Tetramethyloctane",62185-21-1,DTXSID20335689,526427,"3,4,5,6-Tetramethyloctane",NADJQGPTQSFIHB-UHFFFAOYSA-N,"3,4,5,6-Tetramethyloctane",CCC(C)C(C)C(C)C(C)CC,"InChI=1S/C12H26/c1-7-9(3)11(5)12(6)10(4)8-2/h9-12H,7-8H2,1-6H3",C12H26,170.2034508
2668,"3-Octene, 2,2-dimethyl-, (E)-",62187-13-7,DTXSID70338605,550136,"3-Octene, 2,2-dimethyl-, (E)-",PWMYBNYORINWQV-UHFFFAOYSA-N,"2,2-Dimethyloct-3-ene",CCCCC=CC(C)(C)C,"InChI=1S/C10H20/c1-5-6-7-8-9-10(2,3)4/h8-9H,5-7H2,1-4H3",C10H20,140.1565006
2669,"5-Ethyl-2,2,3-trimethylheptane",62199-06-8,DTXSID10337990,545799,"5-Ethyl-2,2,3-trimethylheptane",OOIGDPTZPWRGHN-UHFFFAOYSA-N,"5-Ethyl-2,2,3-trimethylheptane",CCC(CC)CC(C)C(C)(C)C,"InChI=1S/C12H26/c1-7-11(8-2)9-10(3)12(4,5)6/h10-11H,7-9H2,1-6H3",C12H26,170.2034508
2670,1-Pentyl-2-propylcyclopentane,62199-51-3,DTXSID70338569,549948,1-Pentyl-2-propylcyclopentane,MTKGHPSAELTIFQ-UHFFFAOYSA-N,1-Pentyl-2-propylcyclopentane,CCCCCC1CCCC1CCC,"InChI=1S/C13H26/c1-3-5-6-9-13-11-7-10-12(13)8-4-2/h12-13H,3-11H2,1-2H3",C13H26,182.2034508
2671,(2-Chloroethenyl)-benzene,622-25-3,DTXSID1021538,5284490,(2-Chloroethenyl)-benzene,SBYMUDUGTIKLCR-VOTSOKGWSA-N,[(E)-2-Chloroethenyl]benzene,Cl\C=C\C1=CC=CC=C1,InChI=1S/C8H7Cl/c9-7-6-8-4-2-1-3-5-8/h1-7H/b7-6+,C8H7Cl,138.0236279
2672,Myristanilide,622-56-0,DTXSID2060753,69324,Myristanilide,LYSJUAWWUBVYCB-UHFFFAOYSA-N,N-Phenyltetradecanamide,CCCCCCCCCCCCCC(=O)NC1=CC=CC=C1,"InChI=1S/C20H33NO/c1-2-3-4-5-6-7-8-9-10-11-15-18-20(22)21-19-16-13-12-14-17-19/h12-14,16-17H,2-11,15,18H2,1H3,(H,21,22)",C20H33NO,303.2562147
2673,Benzyl isothiocyanate,622-78-6,DTXSID0020155,2346,Benzyl isothiocyanate,MDKCFLQDBWCQCV-UHFFFAOYSA-N,(Isothiocyanatomethyl)benzene,S=C=NCC1=CC=CC=C1,"InChI=1S/C8H7NS/c10-7-9-6-8-4-2-1-3-5-8/h1-5H,6H2",C8H7NS,149.0299204
2674,4-Ethyltoluene,622-96-8,DTXSID9029194,12160,4-Ethyltoluene,JRLPEMVDPFPYPJ-UHFFFAOYSA-N,1-Ethyl-4-methylbenzene,CCC1=CC=C(C)C=C1,"InChI=1S/C9H12/c1-3-9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3",C9H12,120.0939004
2675,Tetradecyl trifluoroacetate,6222-02-2,DTXSID80873294,522034,Tetradecyl trifluoroacetate,UVIFJLAXCAKUFR-UHFFFAOYSA-N,Tetradecyl trifluoroacetate,CCCCCCCCCCCCCCOC(=O)C(F)(F)F,"InChI=1S/C16H29F3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-21-15(20)16(17,18)19/h2-14H2,1H3",C16H29F3O2,310.2119647
2676,AC1MF9OB,6222-06-6,DTXSID90387478,2891067,AC1MF9OB,ZEUJXQUVYKJZFV-UHFFFAOYSA-N,N~1~-Cyclopropyl-N~2~-(2-hydroxy-2-phenylethyl)ethanediamide,OC(CNC(=O)C(=O)NC1CC1)C1=CC=CC=C1,"InChI=1S/C13H16N2O3/c16-11(9-4-2-1-3-5-9)8-14-12(17)13(18)15-10-6-7-10/h1-5,10-11,16H,6-8H2,(H,14,17)(H,15,18)",C13H16N2O3,248.1160924
2677,"cyclohexane, 1-ethyl-1,3-dimethyl-, trans-",62238-29-3,DTXSID50880637,91695075,"cyclohexane, 1-ethyl-1,3-dimethyl-, trans-",YLZKVXHQMPWDBJ-NXEZZACHSA-N,"(1R,3R)-1-Ethyl-1,3-dimethylcyclohexane",CC[C@]1(C)CCC[C@@H](C)C1,"InChI=1S/C10H20/c1-4-10(3)7-5-6-9(2)8-10/h9H,4-8H2,1-3H3/t9-,10-/m1/s1",C10H20,140.1565006
2678,"cyclohexane, 1-ethyl-1,4-dimethyl-, trans-",62238-32-8,DTXSID30880776,550316,"cyclohexane, 1-ethyl-1,4-dimethyl-, trans-",JUJZODUQWZZPDO-UHFFFAOYSA-N,"1-Ethyl-1,4-dimethylcyclohexane",CCC1(C)CCC(C)CC1,"InChI=1S/C10H20/c1-4-10(3)7-5-9(2)6-8-10/h9H,4-8H2,1-3H3",C10H20,140.1565006
2679,"cyclohexane, 1-ethyl-2-propyl-",62238-33-9,DTXSID10880835,549960,"cyclohexane, 1-ethyl-2-propyl-",NNNKGLVDUYFBHS-UHFFFAOYSA-N,1-Ethyl-2-propylcyclohexane,CCCC1CCCCC1CC,"InChI=1S/C11H22/c1-3-7-11-9-6-5-8-10(11)4-2/h10-11H,3-9H2,1-2H3",C11H22,154.1721507
2680,4-Chlorobenzonitrile,623-03-0,DTXSID8044703,12163,4-Chlorobenzonitrile,GJNGXPDXRVXSEH-UHFFFAOYSA-N,4-Chlorobenzonitrile,ClC1=CC=C(C=C1)C#N,InChI=1S/C7H4ClN/c8-7-3-1-6(5-9)2-4-7/h1-4H,C7H4ClN,137.0032268
2681,"1,4-Benzenedicarboxaldehyde",623-27-8,DTXSID6060769,12173,"1,4-Benzenedicarboxaldehyde",KUCOHFSKRZZVRO-UHFFFAOYSA-N,"Benzene-1,4-dicarbaldehyde",O=CC1=CC=C(C=O)C=C1,InChI=1S/C8H6O2/c9-5-7-1-2-8(6-10)4-3-7/h1-6H,C8H6O2,134.0367794
2682,3-Hexanol,623-37-0,DTXSID70862314,12178,3-Hexanol,ZOCHHNOQQHDWHG-UHFFFAOYSA-N,Hexan-3-ol,CCCC(O)CC,"InChI=1S/C6H14O/c1-3-5-6(7)4-2/h6-7H,3-5H2,1-2H3",C6H14O,102.1044651
2683,Methyl butyrate,623-42-7,DTXSID5047083,12180,Methyl butyrate,UUIQMZJEGPQKFD-UHFFFAOYSA-N,Methyl butanoate,CCCC(=O)OC,"InChI=1S/C5H10O2/c1-3-4-5(6)7-2/h3-4H2,1-2H3",C5H10O2,102.0680796
2684,"(2S,3R,5S)-1,1,2-trimethyl-3,5-di(prop-1-en-2-yl)cyclohexane",62337-97-7,DTXSID60880784,,"(2S,3R,5S)-1,1,2-trimethyl-3,5-di(prop-1-en-2-yl)cyclohexane",JGZYEZBCFOHEEC-NDHPBVECNA-N,"(2S,3R,5S)-1,1,2-Trimethyl-3,5-di(prop-1-en-2-yl)cyclohexane",C[C@H]1[C@@H](C[C@@H](CC1(C)C)C(C)=C)C(C)=C,"InChI=1S/C15H26/c1-10(2)13-8-14(11(3)4)12(5)15(6,7)9-13/h12-14H,1,3,8-9H2,2,4-7H3/t12-,13-,14-/m0/s1",C15H26,206.2034508
2685,4-Hydroxy-3-propyl-2-hexanone (ACI),62338-17-4,,537388,4-Hydroxy-3-propyl-2-hexanone (ACI),NVGTWDAPVVDCRI-UHFFFAOYSA-N,4-hydroxy-3-propylhexan-2-one,O=C(C)C(CCC)C(O)CC,"InChI=1S/C9H18O2/c1-4-6-8(7(3)10)9(11)5-2/h8-9,11H,4-6H2,1-3H3",C9H18O2,158.131
2686,3-methyldec-4-ene,62338-47-0,DTXSID80337644,543798,3-methyldec-4-ene,CIFRDUBVGCEDOT-UHFFFAOYSA-N,3-Methyldec-4-ene,CCCCCC=CC(C)CC,"InChI=1S/C11H22/c1-4-6-7-8-9-10-11(3)5-2/h9-11H,4-8H2,1-3H3",C11H22,154.1721507
2687,Methyl valerate,624-24-8,DTXSID9060784,12206,Methyl valerate,HNBDRPTVWVGKBR-UHFFFAOYSA-N,Methyl pentanoate,CCCCC(=O)OC,"InChI=1S/C6H12O2/c1-3-4-5-6(7)8-2/h3-5H2,1-2H3",C6H12O2,116.0837296
2688,"Benzaldehyde, 2,4-dihydroxy-3-methyl-",6248-20-0,DTXSID6064161,80395,"Benzaldehyde, 2,4-dihydroxy-3-methyl-",AOPMHYFEQDBXPZ-UHFFFAOYSA-N,"2,4-Dihydroxy-3-methylbenzaldehyde",CC1=C(O)C=CC(C=O)=C1O,"InChI=1S/C8H8O3/c1-5-7(10)3-2-6(4-9)8(5)11/h2-4,10-11H,1H3",C8H8O3,152.0473441
2689,"Sulfuric acid, dibutyl ester",625-22-9,DTXSID80211536,12239,"Sulfuric acid, dibutyl ester",LMEDOLJKVASKTP-UHFFFAOYSA-N,Dibutyl sulfate,CCCCOS(=O)(=O)OCCCC,"InChI=1S/C8H18O4S/c1-3-5-7-11-13(9,10)12-8-6-4-2/h3-8H2,1-2H3",C8H18O4S,210.0925802
2690,3-Penten-2-one,625-33-2,DTXSID0060800,12248,3-Penten-2-one,LABTWGUMFABVFG-UHFFFAOYSA-N,Pent-3-en-2-one,CC=CC(C)=O,"InChI=1S/C5H8O/c1-3-4-5(2)6/h3-4H,1-2H3",C5H8O,84.05751488
2691,"L-Leucine, L-leucyl-L-leucyl-L-leucyl-L-leucyl-",62526-42-5,DTXSID10437005,10231997,"L-Leucine, L-leucyl-L-leucyl-L-leucyl-L-leucyl-",WJWLSKXFWZTKQT-KEOOTSPTSA-N,L-Leucyl-L-leucyl-L-leucyl-L-leucyl-L-leucine,CC(C)C[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(O)=O,"InChI=1S/C30H57N5O6/c1-16(2)11-21(31)26(36)32-22(12-17(3)4)27(37)33-23(13-18(5)6)28(38)34-24(14-19(7)8)29(39)35-25(30(40)41)15-20(9)10/h16-25H,11-15,31H2,1-10H3,(H,32,36)(H,33,37)(H,34,38)(H,35,39)(H,40,41)/t21-,22-,23-,24-,25-/m0/s1",C30H57N5O6,583.4308846
2692,"Benzene, 1,1'-(1,3,3-trimethyl-1-propene-1,3-diyl)bis-",6258-73-7,DTXSID0064171,97888,"Benzene, 1,1'-(1,3,3-trimethyl-1-propene-1,3-diyl)bis-",VOOVDZMAQQVAEW-UHFFFAOYSA-N,"1,1'-(4-Methylpent-2-ene-2,4-diyl)dibenzene",CC(=CC(C)(C)C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C18H20/c1-15(16-10-6-4-7-11-16)14-18(2,3)17-12-8-5-9-13-17/h4-14H,1-3H3",C18H20,236.1565006
2693,Hexyl salicylate,6259-76-3,DTXSID4038924,22629,Hexyl salicylate,DUKPKQFHJQGTGU-UHFFFAOYSA-N,Hexyl 2-hydroxybenzoate,CCCCCCOC(=O)C1=C(O)C=CC=C1,"InChI=1S/C13H18O3/c1-2-3-4-7-10-16-13(15)11-8-5-6-9-12(11)14/h5-6,8-9,14H,2-4,7,10H2,1H3",C13H18O3,222.1255944
2694,"1,3-Benzenedicarboxaldehyde",626-19-7,DTXSID30870718,34777,"1,3-Benzenedicarboxaldehyde",IZALUMVGBVKPJD-UHFFFAOYSA-N,"Benzene-1,3-dicarbaldehyde",O=CC1=CC(C=O)=CC=C1,InChI=1S/C8H6O2/c9-5-7-2-1-3-8(4-7)6-10/h1-6H,C8H6O2,134.0367794
2695,2-Pentanyl acetate,626-38-0,DTXSID8052306,12278,2-Pentanyl acetate,GQKZRWSUJHVIPE-UHFFFAOYSA-N,Pentan-2-yl acetate,CCCC(C)OC(C)=O,"InChI=1S/C7H14O2/c1-4-5-6(2)9-7(3)8/h6H,4-5H2,1-3H3",C7H14O2,130.0993797
2696,"Phenol, 3,5-dibromo-",626-41-5,DTXSID70211646,12280,"Phenol, 3,5-dibromo-",PZFMWYNHJFZBPO-UHFFFAOYSA-N,"3,5-Dibromophenol",OC1=CC(Br)=CC(Br)=C1,"InChI=1S/C6H4Br2O/c7-4-1-5(8)3-6(9)2-4/h1-3,9H",C6H4Br2O,249.862891
2697,"3,5-Dichloroaniline",626-43-7,DTXSID7030307,12281,"3,5-Dichloroaniline",UQRLKWGPEVNVHT-UHFFFAOYSA-N,"3,5-Dichloroaniline",NC1=CC(Cl)=CC(Cl)=C1,"InChI=1S/C6H5Cl2N/c7-4-1-5(8)3-6(9)2-4/h1-3H,9H2",C6H5Cl2N,160.9799046
2698,Pentanamide,626-97-1,DTXSID3060827,12298,Pentanamide,IPWFJLQDVFKJDU-UHFFFAOYSA-N,Pentanamide,CCCCC(N)=O,"InChI=1S/C5H11NO/c1-2-3-4-5(6)7/h2-4H2,1H3,(H2,6,7)",C5H11NO,101.084064
2699,"Potassium 2,6-dibromo-4-{(3,5-dibromo-4-oxocyclohexa-2,5-dien-1-ylidene)[2-(ethoxycarbonyl)phenyl]methyl}phenolate",62637-91-6,DTXSID60978195,23689366,"Potassium 2,6-dibromo-4-{(3,5-dibromo-4-oxocyclohexa-2,5-dien-1-ylidene)[2-(ethoxycarbonyl)phenyl]methyl}phenolate",WCIQBKUTYDIBJC-UHFFFAOYSA-M,"Potassium 2,6-dibromo-4-{(3,5-dibromo-4-oxocyclohexa-2,5-dien-1-ylidene)[2-(ethoxycarbonyl)phenyl]methyl}phenolate",[K+].CCOC(=O)C1=CC=CC=C1C(C1=CC(Br)=C([O-])C(Br)=C1)=C1C=C(Br)C(=O)C(Br)=C1,"InChI=1S/C22H14Br4O4.K/c1-2-30-22(29)14-6-4-3-5-13(14)19(11-7-15(23)20(27)16(24)8-11)12-9-17(25)21(28)18(26)10-12;/h3-10,27H,2H2,1H3;/q;+1/p-1",C22H13Br4KO4,695.718442
2700,"3,3'-Oxydi(propane-1,2-diol)",627-82-7,DTXSID90872273,42953,"3,3'-Oxydi(propane-1,2-diol)",GPLRAVKSCUXZTP-UHFFFAOYSA-N,"3,3'-Oxydi(propane-1,2-diol)",OCC(O)COCC(O)CO,"InChI=1S/C6H14O5/c7-1-5(9)3-11-4-6(10)2-8/h5-10H,1-4H2",C6H14O5,166.0841236
2701,Methyl hydrogen adipate,627-91-8,DTXSID9044451,12328,Methyl hydrogen adipate,UOBSVARXACCLLH-UHFFFAOYSA-N,6-Methoxy-6-oxohexanoic acid,COC(=O)CCCCC(O)=O,"InChI=1S/C7H12O4/c1-11-7(10)5-3-2-4-6(8)9/h2-5H2,1H3,(H,8,9)",C7H12O4,160.0735589
2702,Dimethyl adipate,627-93-0,DTXSID8025096,12329,Dimethyl adipate,UDSFAEKRVUSQDD-UHFFFAOYSA-N,Dimethyl hexanedioate,COC(=O)CCCCC(=O)OC,"InChI=1S/C8H14O4/c1-11-7(9)5-3-4-6-8(10)12-2/h3-6H2,1-2H3",C8H14O4,174.0892089
2703,"1,1-Dimethylethyl 4-methyl-4-[[4-methyl-4-[[4-methyl-4-[(4-methyl-4-nitro-1-oxopentyl)amino]-1-oxopentyl]amino]-1-oxopentyl]amino]pentanoate (ACI)",627539-10-0,,11103663,"1,1-Dimethylethyl 4-methyl-4-[[4-methyl-4-[[4-methyl-4-[(4-methyl-4-nitro-1-oxopentyl)amino]-1-oxopentyl]amino]-1-oxopentyl]amino]pentanoate (ACI)",JVORHZYOJBSAOB-UHFFFAOYSA-N,tert-butyl 4-methyl-4-[[4-methyl-4-[[4-methyl-4-[(4-methyl-4-nitropentanoyl)amino]pentanoyl]amino]pentanoyl]amino]pentanoate,O=C(OC(C)(C)C)CCC(NC(=O)CCC(NC(=O)CCC(NC(=O)CCC(N(=O)=O)(C)C)(C)C)(C)C)(C)C,"InChI=1S/C28H52N4O7/c1-24(2,3)39-23(36)15-18-27(8,9)30-21(34)13-16-25(4,5)29-20(33)12-17-26(6,7)31-22(35)14-19-28(10,11)32(37)38/h12-19H2,1-11H3,(H,29,33)(H,30,34)(H,31,35)",C28H52N4O7,556.384
2704,Hexanamide,628-02-4,DTXSID6020696,12332,Hexanamide,ALBYIUDWACNRRB-UHFFFAOYSA-N,Hexanamide,CCCCCC(N)=O,"InChI=1S/C6H13NO/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H2,7,8)",C6H13NO,115.099714
2705,"1,5-Hexadiyne",628-16-0,DTXSID6060848,69402,"1,5-Hexadiyne",YFIBSNDOVCWPBL-UHFFFAOYSA-N,"Hexa-1,5-diyne",C#CCCC#C,"InChI=1S/C6H6/c1-3-5-6-4-2/h1-2H,5-6H2",C6H6,78.04695019
2706,Pentyl acetate,628-63-7,DTXSID1027263,12348,Pentyl acetate,PGMYKACGEOXYJE-UHFFFAOYSA-N,Pentyl acetate,CCCCCOC(C)=O,"InChI=1S/C7H14O2/c1-3-4-5-6-9-7(2)8/h3-6H2,1-2H3",C7H14O2,130.0993797
2707,Ethyl hexadecanoate,628-97-7,DTXSID2047511,12366,Ethyl hexadecanoate,XIRNKXNNONJFQO-UHFFFAOYSA-N,Ethyl hexadecanoate,CCCCCCCCCCCCCCCC(=O)OCC,"InChI=1S/C18H36O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20-4-2/h3-17H2,1-2H3",C18H36O2,284.2715304
2708,N-Octylformamide,6282-06-0,DTXSID60278061,221394,N-Octylformamide,ZBWPKQRQZDZVSF-UHFFFAOYSA-N,N-Octylformamide,CCCCCCCCNC=O,"InChI=1S/C9H19NO/c1-2-3-4-5-6-7-8-10-9-11/h9H,2-8H2,1H3,(H,10,11)",C9H19NO,157.1466642
2709,"6-(2,6-Dimethyl-4-morpholinyl)-5-[(3-dodecyl-4-oxo-2-thioxo-5-thiazolidinylidene)methyl]-1,2-dihydro-1,4-dimethyl-2-oxo-3-pyridinecarbonitrile (ACI)",628289-59-8,,5264624,"6-(2,6-Dimethyl-4-morpholinyl)-5-[(3-dodecyl-4-oxo-2-thioxo-5-thiazolidinylidene)methyl]-1,2-dihydro-1,4-dimethyl-2-oxo-3-pyridinecarbonitrile (ACI)",ZTXSJVAUOVVSRZ-UHFFFAOYSA-N,"6-(2,6-dimethylmorpholin-4-yl)-5-[(3-dodecyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1,4-dimethyl-2-oxopyridine-3-carbonitrile",N#CC=1C(=O)N(C(=C(C=C2SC(=S)N(C2=O)CCCCCCCCCCCC)C1C)N3CC(OC(C)C3)C)C,"InChI=1S/C30H44N4O3S2/c1-6-7-8-9-10-11-12-13-14-15-16-34-29(36)26(39-30(34)38)17-24-23(4)25(18-31)28(35)32(5)27(24)33-19-21(2)37-22(3)20-33/h17,21-22H,6-16,19-20H2,1-5H3",C30H44N4O3S2,572.285
2710,Ethyl 4-chlorophenyl ketone,6285-05-8,DTXSID1048203,22697,Ethyl 4-chlorophenyl ketone,ADCYRBXQAJXJTD-UHFFFAOYSA-N,1-(4-Chlorophenyl)propan-1-one,CCC(=O)C1=CC=C(Cl)C=C1,"InChI=1S/C9H9ClO/c1-2-9(11)7-3-5-8(10)6-4-7/h3-6H,2H2,1H3",C9H9ClO,168.0341926
2711,"1,6-Hexanediol",629-11-8,DTXSID1027265,12374,"1,6-Hexanediol",XXMIOPMDWAUFGU-UHFFFAOYSA-N,"Hexane-1,6-diol",OCCCCCCO,"InChI=1S/C6H14O2/c7-5-3-1-2-4-6-8/h7-8H,1-6H2",C6H14O2,118.0993797
2712,"1,2-Ethanediol, 1,2-diformate",629-15-2,DTXSID4060866,12376,"1,2-Ethanediol, 1,2-diformate",IKCQWKJZLSDDSS-UHFFFAOYSA-N,"Ethane-1,2-diyl diformate",O=COCCOC=O,"InChI=1S/C4H6O4/c5-3-7-1-2-8-4-6/h3-4H,1-2H2",C4H6O4,118.0266087
2713,"1,3,5,7-Cyclooctatetraene",629-20-9,DTXSID9060867,,"1,3,5,7-Cyclooctatetraene",KDUIUFJBNGTBMD-BONZMOEMSA-N,"Cycloocta-1,3,5,7-tetraene",C1=C/C=C\C=C/C=C\1,"InChI=1S/C8H8/c1-2-4-6-8-7-5-3-1/h1-8H/b2-1-,3-1?,4-2?,5-3-,6-4-,7-5?,8-6?,8-7-",C8H8,104.0626003
2714,"1,7-Heptanediol",629-30-1,DTXSID90212074,12381,"1,7-Heptanediol",SXCBDZAEHILGLM-UHFFFAOYSA-N,"Heptane-1,7-diol",OCCCCCCCO,"InChI=1S/C7H16O2/c8-6-4-2-1-3-5-7-9/h8-9H,1-7H2",C7H16O2,132.1150298
2715,Tridecane,629-50-5,DTXSID6027266,12388,Tridecane,IIYFAKIEWZDVMP-UHFFFAOYSA-N,Tridecane,CCCCCCCCCCCCC,"InChI=1S/C13H28/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-13H2,1-2H3",C13H28,184.2191009
2716,Palmitamide,629-54-9,DTXSID8044707,69421,Palmitamide,HSEMFIZWXHQJAE-UHFFFAOYSA-N,Hexadecanamide,CCCCCCCCCCCCCCCC(N)=O,"InChI=1S/C16H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H2,17,18)",C16H33NO,255.2562147
2717,Tetradecane,629-59-4,DTXSID1027267,12389,Tetradecane,BGHCVCJVXZWKCC-UHFFFAOYSA-N,Tetradecane,CCCCCCCCCCCCCC,"InChI=1S/C14H30/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h3-14H2,1-2H3",C14H30,198.234751
2718,Pentadecane,629-62-9,DTXSID6027268,12391,Pentadecane,YCOZIPAWZNQLMR-UHFFFAOYSA-N,Pentadecane,CCCCCCCCCCCCCCC,"InChI=1S/C15H32/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h3-15H2,1-2H3",C15H32,212.250401
2719,Nonadecan-2-one,629-66-3,DTXSID70212077,69423,Nonadecan-2-one,IEDKVDCIEARIIU-UHFFFAOYSA-N,Nonadecan-2-one,CCCCCCCCCCCCCCCCCC(C)=O,"InChI=1S/C19H38O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(2)20/h3-18H2,1-2H3",C19H38O,282.2922658
2720,1-Bromopentadecane,629-72-1,DTXSID8049339,12394,1-Bromopentadecane,JKOTZBXSNOGCIF-UHFFFAOYSA-N,1-Bromopentadecane,CCCCCCCCCCCCCCCBr,"InChI=1S/C15H31Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h2-15H2,1H3",C15H31Br,290.160914
2721,1-Hexadecene,629-73-2,DTXSID1027269,12395,1-Hexadecene,GQEZCXVZFLOKMC-UHFFFAOYSA-N,Hexadec-1-ene,CCCCCCCCCCCCCCC=C,"InChI=1S/C16H32/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3H,1,4-16H2,2H3",C16H32,224.250401
2722,1-Pentadecanol,629-76-5,DTXSID0027270,12397,1-Pentadecanol,REIUXOLGHVXAEO-UHFFFAOYSA-N,Pentadecan-1-ol,CCCCCCCCCCCCCCCO,"InChI=1S/C15H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h16H,2-15H2,1H3",C15H32O,228.2453157
2723,Heptadecane,629-78-7,DTXSID7047061,12398,Heptadecane,NDJKXXJCMXVBJW-UHFFFAOYSA-N,Heptadecane,CCCCCCCCCCCCCCCCC,"InChI=1S/C17H36/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-17H2,1-2H3",C17H36,240.2817012
2724,Hexadecanenitrile,629-79-8,DTXSID5027271,69424,Hexadecanenitrile,WGXGAUQEMYSVJM-UHFFFAOYSA-N,Hexadecanenitrile,CCCCCCCCCCCCCCCC#N,"InChI=1S/C16H31N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h2-15H2,1H3",C16H31N,237.24565
2725,Hexadecanal,629-80-1,DTXSID5042039,984,Hexadecanal,NIOYUNMRJMEDGI-UHFFFAOYSA-N,Hexadecanal,CCCCCCCCCCCCCCCC=O,"InChI=1S/C16H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h16H,2-15H2,1H3",C16H32O,240.2453157
2726,Dicaprylyl ether,629-82-3,DTXSID20862324,12399,Dicaprylyl ether,NKJOXAZJBOMXID-UHFFFAOYSA-N,1-(Octyloxy)octane,CCCCCCCCOCCCCCCCC,"InChI=1S/C16H34O/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-16H2,1-2H3",C16H34O,242.2609657
2727,Nonadecane,629-92-5,DTXSID9047170,12401,Nonadecane,LQERIDTXQFOHKA-UHFFFAOYSA-N,Nonadecane,CCCCCCCCCCCCCCCCCCC,"InChI=1S/C19H40/c1-3-5-7-9-11-13-15-17-19-18-16-14-12-10-8-6-4-2/h3-19H2,1-2H3",C19H40,268.3130013
2728,Heneicosane,629-94-7,DTXSID9047097,12403,Heneicosane,FNAZRRHPUDJQCJ-UHFFFAOYSA-N,Henicosane,CCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C21H44/c1-3-5-7-9-11-13-15-17-19-21-20-18-16-14-12-10-8-6-4-2/h3-21H2,1-2H3",C21H44,296.3443014
2729,Docosane,629-97-0,DTXSID7047063,12405,Docosane,HOWGUJZVBDQJKV-UHFFFAOYSA-N,Docosane,CCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C22H46/c1-3-5-7-9-11-13-15-17-19-21-22-20-18-16-14-12-10-8-6-4-2/h3-22H2,1-2H3",C22H46,310.3599515
2730,(Z)-Docos-13-enol,629-98-1,DTXSID701026591,5354168,(Z)-Docos-13-enol,CFOQKXQWGLAKSK-KTKRTIGZSA-N,,CCCCCCCC\C=C/CCCCCCCCCCCCO,"InChI=1S/C22H44O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23/h9-10,23H,2-8,11-22H2,1H3/b10-9-",C22H44O,324.339216
2731,Pentacosane,629-99-2,DTXSID2060882,12406,Pentacosane,YKNWIILGEFFOPE-UHFFFAOYSA-N,Pentacosane,CCCCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C25H52/c1-3-5-7-9-11-13-15-17-19-21-23-25-24-22-20-18-16-14-12-10-8-6-4-2/h3-25H2,1-2H3",C25H52,352.4069017
2732,(Z)-1-Ethylidene-1H-indene,62933-90-8,DTXSID80343200,5372637,(Z)-1-Ethylidene-1H-indene,HNZQPQACDDJLTD-XNWCZRBMSA-N,(1E)-1-Ethylidene-1H-indene,C\C=C1/C=CC2=CC=CC=C12,"InChI=1S/C11H10/c1-2-9-7-8-10-5-3-4-6-11(9)10/h2-8H,1H3/b9-2+",C11H10,142.0782503
2733,Heptabromodibenzofuran,62994-32-5,DTXSID601061261,,Heptabromodibenzofuran,,,,,,
2734,Hexacosane,630-01-3,DTXSID7060883,12407,Hexacosane,HMSWAIKSFDFLKN-UHFFFAOYSA-N,Hexacosane,CCCCCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C26H54/c1-3-5-7-9-11-13-15-17-19-21-23-25-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-26H2,1-2H3",C26H54,366.4225517
2735,Octacosane,630-02-4,DTXSID6058639,12408,Octacosane,ZYURHZPYMFLWSH-UHFFFAOYSA-N,Octacosane,CCCCCCCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C28H58/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-28H2,1-2H3",C28H58,394.4538519
2736,Nonacosane,630-03-5,DTXSID2060884,12409,Nonacosane,IGGUPRCHHJZPBS-UHFFFAOYSA-N,Nonacosane,CCCCCCCCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C29H60/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-29H2,1-2H3",C29H60,408.4695019
2737,Hentriacontane,630-04-6,DTXSID0075443,12410,Hentriacontane,IUJAMGNYPWYUPM-UHFFFAOYSA-N,Hentriacontane,CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C31H64/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-31H2,1-2H3",C31H64,436.5008021
2738,Tritriacontane,630-05-7,DTXSID5075444,12411,Tritriacontane,SUJUOAZFECLBOA-UHFFFAOYSA-N,Tritriacontane,CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C33H68/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-33H2,1-2H3",C33H68,464.5321022
2739,Pentatriacontane,630-07-9,DTXSID9074723,12413,Pentatriacontane,VHQQPFLOGSTQPC-UHFFFAOYSA-N,Pentatriacontane,CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C35H72/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-35H2,1-2H3",C35H72,492.5634023
2740,"1,1,1,2-Tetrachloroethane",630-20-6,DTXSID2021317,12418,"1,1,1,2-Tetrachloroethane",QVLAWKAXOMEXPM-UHFFFAOYSA-N,"1,1,1,2-Tetrachloroethane",ClCC(Cl)(Cl)Cl,"InChI=1S/C2H2Cl4/c3-1-2(4,5)6/h1H2",C2H2Cl4,165.8910609
2741,Polybrominated biphenyls,63035-22-3,DTXSID30109095,,OB (biphenyl),,,,,,
2742,"Dibenz(a,h)anthracene, 2-methyl-",63041-83-8,DTXSID20212365,44371,"Dibenz(a,h)anthracene, 2-methyl-",OKVUWFFXNPQIPB-UHFFFAOYSA-N,2-Methylbenzo[k]tetraphene,CC1=CC2=C(C=C1)C=CC1=CC3=C(C=CC4=CC=CC=C34)C=C21,"InChI=1S/C23H16/c1-15-6-7-17-9-11-19-13-22-18(14-23(19)21(17)12-15)10-8-16-4-2-3-5-20(16)22/h2-14H,1H3",C23H16,292.1252005
2743,((((Benzylsulfonyl)methyl)sulfonyl)methyl)benzene,6331-52-8,DTXSID80212700,240665,((((Benzylsulfonyl)methyl)sulfonyl)methyl)benzene,DKXNMYFLQWZCGD-UHFFFAOYSA-N,"1,1'-[Methylenebis(sulfonylmethylene)]dibenzene",O=S(=O)(CC1=CC=CC=C1)CS(=O)(=O)CC1=CC=CC=C1,"InChI=1S/C15H16O4S2/c16-20(17,11-14-7-3-1-4-8-14)13-21(18,19)12-15-9-5-2-6-10-15/h1-10H,11-13H2",C15H16O4S2,324.0490013
2744,"octanoic acid, 2-ethylhexyl ester",63321-70-0,DTXSID90867003,101131,"octanoic acid, 2-ethylhexyl ester",HPUAIVNIHNEYPO-UHFFFAOYSA-N,2-Ethylhexyl octanoate,CCCCCCCC(=O)OCC(CC)CCCC,"InChI=1S/C16H32O2/c1-4-7-9-10-11-13-16(17)18-14-15(6-3)12-8-5-2/h15H,4-14H2,1-3H3",C16H32O2,256.2402303
2745,"2,2?,3,3?,4,4?,5,5?,6-Nonabromodiphenyl ether",63387-28-0,DTXSID30881107,45472,"2,2′,3,3′,4,4′,5,5′,6-Nonabromodiphenyl ether",CYRHBNRLQMLULE-UHFFFAOYSA-N,"1,2,3,4,5-Pentabromo-6-(2,3,4,5-tetrabromophenoxy)benzene",BrC1=CC(OC2=C(Br)C(Br)=C(Br)C(Br)=C2Br)=C(Br)C(Br)=C1Br,InChI=1S/C12HBr9O/c13-2-1-3(5(15)6(16)4(2)14)22-12-10(20)8(18)7(17)9(19)11(12)21/h1H,C12HBr9O,871.267782
2746,"N,N-Diethylurea",634-95-7,DTXSID3060900,12472,"N,N-Diethylurea",TUMNHQRORINJKE-UHFFFAOYSA-N,"N,N-Diethylurea",CCN(CC)C(N)=O,"InChI=1S/C5H12N2O/c1-3-7(4-2)5(6)8/h3-4H2,1-2H3,(H2,6,8)",C5H12N2O,116.094963
2747,"(E)-1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)pent-1-en-3-one",63429-28-7,DTXSID401036355,5375218,"(E)-1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)pent-1-en-3-one",LMWNGLDCJDIIBR-CMDGGOBGSA-N,,CCC(=O)\C=C\C1=C(C)CCCC1(C)C,"InChI=1S/C14H22O/c1-5-12(15)8-9-13-11(2)7-6-10-14(13,3)4/h8-9H,5-7,10H2,1-4H3/b9-8+",C14H22O,206.1670653
2748,6-Methylquinoxaline,6344-72-5,DTXSID00287490,242567,6-Methylquinoxaline,OSRARURJYPOUOV-UHFFFAOYSA-N,6-Methylquinoxaline,CC1=CC2=NC=CN=C2C=C1,"InChI=1S/C9H8N2/c1-7-2-3-8-9(6-7)11-5-4-10-8/h2-6H,1H3",C9H8N2,144.0687483
2749,"Methyl 2,3,4-tris-O-(phenylmethyl)-6-O-[2,3,4-tris-O-(phenylmethyl)-?-D-mannopyranosyl]-?-D-mannopyranoside (ACI)",634613-20-0,,10941969,"Methyl 2,3,4-tris-O-(phenylmethyl)-6-O-[2,3,4-tris-O-(phenylmethyl)-?-D-mannopyranosyl]-?-D-mannopyranoside (ACI)",BWEYUPJLUVTHLY-ZVZZRAMRSA-N,"[(2R,3R,4S,5S,6S)-6-[[(2R,3R,4S,5S,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-3,4,5-tris(phenylmethoxy)oxan-2-yl]methanol",OCC1OC(OCC2OC(OC)C(OCC=3C=CC=CC3)C(OCC=4C=CC=CC4)C2OCC=5C=CC=CC5)C(OCC=6C=CC=CC6)C(OCC=7C=CC=CC7)C1OCC=8C=CC=CC8,"InChI=1S/C55H60O11/c1-57-54-52(62-37-44-28-16-6-17-29-44)51(61-36-43-26-14-5-15-27-43)49(59-34-41-22-10-3-11-23-41)47(66-54)39-64-55-53(63-38-45-30-18-7-19-31-45)50(60-35-42-24-12-4-13-25-42)48(46(32-56)65-55)58-33-40-20-8-2-9-21-40/h2-31,46-56H,32-39H2,1H3",C55H60O11,896.414
2750,"Butanedioic acid, 2-phenyl-",635-51-8,DTXSID60883518,95459,"Butanedioic acid, 2-phenyl-",LVFFZQQWIZURIO-UHFFFAOYSA-N,2-Phenylbutanedioic acid,OC(=O)CC(C(O)=O)C1=CC=CC=C1,"InChI=1S/C10H10O4/c11-9(12)6-8(10(13)14)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,11,12)(H,13,14)",C10H10O4,194.0579088
2751,"2,2-Dimethyl-5-phenyloxolan-3-one",63678-00-2,DTXSID80340971,568892,"2,2-Dimethyl-5-phenyloxolan-3-one",BPOHJJWGUCBNFI-UHFFFAOYSA-N,"2,2-Dimethyl-5-phenyloxolan-3-one",CC1(C)OC(CC1=O)C1=CC=CC=C1,"InChI=1S/C12H14O2/c1-12(2)11(13)8-10(14-12)9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3",C12H14O2,190.0993797
2752,"2,6,10,14-Tetramethylhexadecane",638-36-8,DTXSID70862339,12523,"2,6,10,14-Tetramethylhexadecane",GGYKPYDKXLHNTI-UHFFFAOYSA-N,"2,6,10,14-Tetramethylhexadecane",CCC(C)CCCC(C)CCCC(C)CCCC(C)C,"InChI=1S/C20H42/c1-7-18(4)12-9-14-20(6)16-10-15-19(5)13-8-11-17(2)3/h17-20H,7-16H2,1-6H3",C20H42,282.3286514
2753,Tridecanoic acid,638-53-9,DTXSID4021684,12530,Tridecanoic acid,SZHOJFHSIKHZHA-UHFFFAOYSA-N,Tridecanoic acid,CCCCCCCCCCCCC(O)=O,"InChI=1S/C13H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13(14)15/h2-12H2,1H3,(H,14,15)",C13H26O2,214.1932801
2754,Tetradecanamide,638-58-4,DTXSID5060934,69492,Tetradecanamide,QEALYLRSRQDCRA-UHFFFAOYSA-N,Tetradecanamide,CCCCCCCCCCCCCC(N)=O,"InChI=1S/C14H29NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H2,15,16)",C14H29NO,227.2249146
2755,Octadecanal,638-66-4,DTXSID60213250,12533,Octadecanal,FWWQKRXKHIRPJY-UHFFFAOYSA-N,Octadecanal,CCCCCCCCCCCCCCCCCC=O,"InChI=1S/C18H36O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h18H,2-17H2,1H3",C18H36O,268.2766158
2756,Tricosane,638-67-5,DTXSID7047699,12534,Tricosane,FIGVVZUWCLSUEI-UHFFFAOYSA-N,Tricosane,CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C23H48/c1-3-5-7-9-11-13-15-17-19-21-23-22-20-18-16-14-12-10-8-6-4-2/h3-23H2,1-2H3",C23H48,324.3756015
2757,Triacontane,638-68-6,DTXSID0060935,12535,Triacontane,JXTPJDDICSTXJX-UHFFFAOYSA-N,Triacontane,CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C30H62/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-30H2,1-2H3",C30H62,422.485152
2758,Lauryl 3-mercaptopropionate,6380-71-8,DTXSID6064298,80796,Lauryl 3-mercaptopropionate,ARNIBHATWCFIIK-UHFFFAOYSA-N,Dodecyl 3-sulfanylpropanoate,CCCCCCCCCCCCOC(=O)CCS,"InChI=1S/C15H30O2S/c1-2-3-4-5-6-7-8-9-10-11-13-17-15(16)12-14-18/h18H,2-14H2,1H3",C15H30O2S,274.1966514
2759,"Ethanol, 2-[4-(1,1-dimethylpropyl)phenoxy]-",6382-07-6,DTXSID1064299,80797,"Ethanol, 2-[4-(1,1-dimethylpropyl)phenoxy]-",BXXDXUTVAFRBKC-UHFFFAOYSA-N,2-[4-(2-Methylbutan-2-yl)phenoxy]ethan-1-ol,CCC(C)(C)C1=CC=C(OCCO)C=C1,"InChI=1S/C13H20O2/c1-4-13(2,3)11-5-7-12(8-6-11)15-10-9-14/h5-8,14H,4,9-10H2,1-3H3",C13H20O2,208.1463299
2760,"4,7,10,13-Tetraoxapentacosane-1,2-diol",63823-21-2,DTXSID30803329,71380840,"4,7,10,13-Tetraoxapentacosane-1,2-diol",HDURIBZAFCWJJV-UHFFFAOYSA-N,"4,7,10,13-Tetraoxapentacosane-1,2-diol",CCCCCCCCCCCCOCCOCCOCCOCC(O)CO,"InChI=1S/C21H44O6/c1-2-3-4-5-6-7-8-9-10-11-12-24-13-14-25-15-16-26-17-18-27-20-21(23)19-22/h21-23H,2-20H2,1H3",C21H44O6,392.3137891
2761,"4-Nonene, 3-methyl-, (Z)-",63830-69-3,DTXSID20337643,543797,"4-Nonene, 3-methyl-, (Z)-",ZTKHMNVIURCTGG-UHFFFAOYSA-N,3-Methylnon-4-ene,CCCCC=CC(C)CC,"InChI=1S/C10H20/c1-4-6-7-8-9-10(3)5-2/h8-10H,4-7H2,1-3H3",C10H20,140.1565006
2762,Irganox 1300,6386-38-5,DTXSID7027623,62603,"Methyl 3,5-bis(tert-butyl)-4-hydroxyhydrocinnamate",PXMJCECEFTYEKE-UHFFFAOYSA-N,"Methyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoate",COC(=O)CCC1=CC(=C(O)C(=C1)C(C)(C)C)C(C)(C)C,"InChI=1S/C18H28O3/c1-17(2,3)13-10-12(8-9-15(19)21-7)11-14(16(13)20)18(4,5)6/h10-11,20H,8-9H2,1-7H3",C18H28O3,292.2038448
2763,"Phenol, 2,6-dibromo-4-[1-(3-bromo-4-hydroxyphenyl)-1-methylethyl]-",6386-73-8,DTXSID3064302,80801,"Phenol, 2,6-dibromo-4-[1-(3-bromo-4-hydroxyphenyl)-1-methylethyl]-",WYBOEVJIVYIEJL-UHFFFAOYSA-N,"2,6-Dibromo-4-[2-(3-bromo-4-hydroxyphenyl)propan-2-yl]phenol",CC(C)(C1=CC=C(O)C(Br)=C1)C1=CC(Br)=C(O)C(Br)=C1,"InChI=1S/C15H13Br3O2/c1-15(2,8-3-4-13(19)10(16)5-8)9-6-11(17)14(20)12(18)7-9/h3-7,19-20H,1-2H3",C15H13Br3O2,461.846569
2764,"[1,1'-Biphenyl]-2,2'-diol, 3,3',5,5'-tetrakis(1,1-dimethylethyl)-",6390-69-8,DTXSID10884292,80808,"[1,1'-Biphenyl]-2,2'-diol, 3,3',5,5'-tetrakis(1,1-dimethylethyl)-",GDGDLBOVIAWEAD-UHFFFAOYSA-N,"3,3',5,5'-Tetra-tert-butyl[1,1'-biphenyl]-2,2'-diol",CC(C)(C)C1=CC(=C(O)C(=C1)C1=CC(=CC(=C1O)C(C)(C)C)C(C)(C)C)C(C)(C)C,"InChI=1S/C28H42O2/c1-25(2,3)17-13-19(23(29)21(15-17)27(7,8)9)20-14-18(26(4,5)6)16-22(24(20)30)28(10,11)12/h13-16,29-30H,1-12H3",C28H42O2,410.3184806
2765,Nonabromodiphenyl ether,63936-56-1,DTXSID3024233,,Nonabromodiphenyl ether,,,,,,
2766,Ethanol,64-17-5,DTXSID9020584,702,Ethanol,LFQSCWFLJHTTHZ-UHFFFAOYSA-N,Ethanol,CCO,"InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3",C2H6O,46.04186481
2767,Formic acid,64-18-6,DTXSID2024115,284,Formic acid,BDAGIHXWWSANSR-UHFFFAOYSA-N,Formic acid,OC=O,"InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)",CH2O2,46.0054793
2768,Acetic acid,64-19-7,DTXSID5024394,176,Acetic acid,QTBSBXVTEAMEQO-UHFFFAOYSA-N,Acetic acid,CC(O)=O,"InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)",C2H4O2,60.02112937
2769,Diethyl sulfate,64-67-5,DTXSID1024045,6163,Ethyl sulfate (Et2SO4),DENRZWYUOJLTMF-UHFFFAOYSA-N,Diethyl sulfate,CCOS(=O)(=O)OCC,"InChI=1S/C4H10O4S/c1-3-7-9(5,6)8-4-2/h3-4H2,1-2H3",C4H10O4S,154.02998
2770,"tridecane, 3-methyl-",6418-41-3,DTXSID70880750,110848,"tridecane, 3-methyl-",NLHRRMKILFRDGV-UHFFFAOYSA-N,3-Methyltridecane,CCCCCCCCCCC(C)CC,"InChI=1S/C14H30/c1-4-6-7-8-9-10-11-12-13-14(3)5-2/h14H,4-13H2,1-3H3",C14H30,198.234751
2771,"hexadecane, 3-methyl-",6418-43-5,DTXSID50880753,93030,"hexadecane, 3-methyl-",WWPCLIMUTNKTDY-UHFFFAOYSA-N,3-Methylhexadecane,CCCCCCCCCCCCCC(C)CC,"InChI=1S/C17H36/c1-4-6-7-8-9-10-11-12-13-14-15-16-17(3)5-2/h17H,4-16H2,1-3H3",C17H36,240.2817012
2772,"heptadecane, 3-methyl-",6418-44-6,DTXSID10880754,94321,"heptadecane, 3-methyl-",HPDKJRSKBCPMIY-UHFFFAOYSA-N,3-Methylheptadecane,CCCCCCCCCCCCCCC(C)CC,"InChI=1S/C18H38/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18(3)5-2/h18H,4-17H2,1-3H3",C18H38,254.2973512
2773,Bis(2-ethylhexyl) terephthalate,6422-86-2,DTXSID7027625,22932,Bis(2-ethylhexyl) terephthalate,RWPICVVBGZBXNA-UHFFFAOYSA-N,"Bis(2-ethylhexyl) benzene-1,4-dicarboxylate",CCCCC(CC)COC(=O)C1=CC=C(C=C1)C(=O)OCC(CC)CCCC,"InChI=1S/C24H38O4/c1-5-9-11-19(7-3)17-27-23(25)21-13-15-22(16-14-21)24(26)28-18-20(8-4)12-10-6-2/h13-16,19-20H,5-12,17-18H2,1-4H3",C24H38O4,390.2770097
2774,"2-Methyl-1,1'-biphenyl",643-58-3,DTXSID10881160,12563,"2-Methyl-1,1'-biphenyl",ALLIZEAXNXSFGD-UHFFFAOYSA-N,"2-Methyl-1,1'-biphenyl",CC1=CC=CC=C1C1=CC=CC=C1,"InChI=1S/C13H12/c1-11-7-5-6-10-13(11)12-8-3-2-4-9-12/h2-10H,1H3",C13H12,168.0939004
2775,3-Methylbenzophenone,643-65-2,DTXSID40214528,69511,3-Methylbenzophenone,URBLVRAVOIVZFJ-UHFFFAOYSA-N,(3-Methylphenyl)(phenyl)methanone,CC1=CC(=CC=C1)C(=O)C1=CC=CC=C1,"InChI=1S/C14H12O/c1-11-6-5-9-13(10-11)14(15)12-7-3-2-4-8-12/h2-10H,1H3",C14H12O,196.088815
2776,3-Methylbiphenyl,643-93-6,DTXSID4060941,12564,3-Methylbiphenyl,NPDIDUXTRAITDE-UHFFFAOYSA-N,"3-Methyl-1,1'-biphenyl",CC1=CC=CC(=C1)C1=CC=CC=C1,"InChI=1S/C13H12/c1-11-6-5-9-13(10-11)12-7-3-2-4-8-12/h2-10H,1H3",C13H12,168.0939004
2777,4-Phenyltoluene,644-08-6,DTXSID4047177,12566,4-Phenyltoluene,ZZLCFHIKESPLTH-UHFFFAOYSA-N,"4-Methyl-1,1'-biphenyl",CC1=CC=C(C=C1)C1=CC=CC=C1,"InChI=1S/C13H12/c1-11-7-9-13(10-8-11)12-5-3-2-4-6-12/h2-10H,1H3",C13H12,168.0939004
2778,alpha-Cucurmene,644-30-4,DTXSID90862351,92139,alpha-Cucurmene,VMYXUZSZMNBRCN-UHFFFAOYSA-N,1-Methyl-4-(6-methylhept-5-en-2-yl)benzene,CC(CCC=C(C)C)C1=CC=C(C)C=C1,"InChI=1S/C15H22/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8-11,14H,5,7H2,1-4H3",C15H22,202.1721507
2779,2-Propylphenol,644-35-9,DTXSID9047702,12570,2-Propylphenol,LCHYEKKJCUJAKN-UHFFFAOYSA-N,2-Propylphenol,CCCC1=C(O)C=CC=C1,"InChI=1S/C9H12O/c1-2-5-8-6-3-4-7-9(8)10/h3-4,6-7,10H,2,5H2,1H3",C9H12O,136.088815
2780,"1,3-Dimethylpyrene",64401-21-4,DTXSID50214655,182422,"1,3-Dimethylpyrene",UWCWYAZCQUDPOX-UHFFFAOYSA-N,"1,3-Dimethylpyrene",CC1=CC(C)=C2C=CC3=CC=CC4=C3C2=C1C=C4,"InChI=1S/C18H14/c1-11-10-12(2)16-9-7-14-5-3-4-13-6-8-15(11)18(16)17(13)14/h3-10H,1-2H3",C18H14,230.1095505
2781,"2,6-Dibromo-4-[1-[3,5-dibromo-4-(2-hydroxyethoxy)phenyl]-1-methylethyl]phenol (ACI)",64464-83-1,,118473170,"2,6-Dibromo-4-[1-[3,5-dibromo-4-(2-hydroxyethoxy)phenyl]-1-methylethyl]phenol (ACI)",VKVVNOXPUOIVQX-UHFFFAOYSA-N,"2,6-dibromo-4-[2-[3,5-dibromo-4-(2-hydroxyethoxy)phenyl]propan-2-yl]phenol",BrC=1C=C(C=C(Br)C1O)C(C2=CC(Br)=C(OCCO)C(Br)=C2)(C)C,"InChI=1S/C17H16Br4O3/c1-17(2,9-5-11(18)15(23)12(19)6-9)10-7-13(20)16(14(21)8-10)24-4-3-22/h5-8,22-23H,3-4H2,1-2H3",C17H16Br4O3,583.783
2782,"1,7-dimethyl-4-(1-methylethyl)cyclodecane",645-10-3,DTXSID50880713,543807,"1,7-dimethyl-4-(1-methylethyl)cyclodecane",IBMAYSYTZAVZPY-UHFFFAOYSA-N,"1,7-Dimethyl-4-(propan-2-yl)cyclodecane",CC(C)C1CCC(C)CCCC(C)CC1,"InChI=1S/C15H30/c1-12(2)15-10-8-13(3)6-5-7-14(4)9-11-15/h12-15H,5-11H2,1-4H3",C15H30,210.234751
2783,1-[4-(1-Methylethyl)phenyl]ethan-1-one,645-13-6,DTXSID0052330,12578,1-[4-(1-Methylethyl)phenyl]ethan-1-one,PDLCCNYKIIUWHA-UHFFFAOYSA-N,1-[4-(Propan-2-yl)phenyl]ethan-1-one,CC(C)C1=CC=C(C=C1)C(C)=O,"InChI=1S/C11H14O/c1-8(2)10-4-6-11(7-5-10)9(3)12/h4-8H,1-3H3",C11H14O,162.1044651
2784,Lauroyl anhydride,645-66-9,DTXSID10214752,69527,Lauroyl anhydride,NWADXBLMWHFGGU-UHFFFAOYSA-N,Dodecanoic anhydride,CCCCCCCCCCCC(=O)OC(=O)CCCCCCCCCCC,"InChI=1S/C24H46O3/c1-3-5-7-9-11-13-15-17-19-21-23(25)27-24(26)22-20-18-16-14-12-10-8-6-4-2/h3-22H2,1-2H3",C24H46O3,382.3446953
2785,"Cyclic 3',5'-thymidine monophosphate",6453-60-7,DTXSID80214800,12359154,"Cyclic 3',5'-thymidine monophosphate",QSJFDOVQWZVUQG-XLPZGREQSA-N,"1-[(4aR,6R,7aS)-2-Hydroxy-2-oxotetrahydro-2H,4H-2lambda~5~-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-5-methylpyrimidine-2,4(1H,3H)-dione",CC1=CN([C@H]2C[C@@H]3OP(O)(=O)OC[C@H]3O2)C(=O)NC1=O,"InChI=1S/C10H13N2O7P/c1-5-3-12(10(14)11-9(5)13)8-2-6-7(18-8)4-17-20(15,16)19-6/h3,6-8H,2,4H2,1H3,(H,15,16)(H,11,13,14)/t6-,7+,8+/m0/s1",C10H13N2O7P,304.0460378
2786,Diphenyl o-isopropylphenylphenyl phosphate,64532-94-1,DTXSID90858794,34148,Diphenyl o-isopropylphenylphenyl phosphate,JJXNVYMIYBNZQX-UHFFFAOYSA-N,Diphenyl 2-(propan-2-yl)phenyl phosphate,CC(C)C1=C(OP(=O)(OC2=CC=CC=C2)OC2=CC=CC=C2)C=CC=C1,"InChI=1S/C21H21O4P/c1-17(2)20-15-9-10-16-21(20)25-26(22,23-18-11-5-3-6-12-18)24-19-13-7-4-8-14-19/h3-17H,1-2H3",C21H21O4P,368.1177462
2787,Tris[2-(propan-2-yl)phenyl] phosphate,64532-95-2,DTXSID00214802,33661,Tris[2-(propan-2-yl)phenyl] phosphate,LIPMRGQQBZJCTM-UHFFFAOYSA-N,Tris[2-(propan-2-yl)phenyl] phosphate,CC(C)C1=CC=CC=C1OP(=O)(OC1=CC=CC=C1C(C)C)OC1=CC=CC=C1C(C)C,"InChI=1S/C27H33O4P/c1-19(2)22-13-7-10-16-25(22)29-32(28,30-26-17-11-8-14-23(26)20(3)4)31-27-18-12-9-15-24(27)21(5)6/h7-21H,1-6H3",C27H33O4P,452.2116465
2788,2-Ethylhexyl methyl hexanedioate,64573-69-9,DTXSID30794561,71371644,2-Ethylhexyl methyl hexanedioate,XQRJRRRFDGFLAP-UHFFFAOYSA-N,2-Ethylhexyl methyl hexanedioate,CCCCC(CC)COC(=O)CCCCC(=O)OC,"InChI=1S/C15H28O4/c1-4-6-9-13(5-2)12-19-15(17)11-8-7-10-14(16)18-3/h13H,4-12H2,1-3H3",C15H28O4,272.1987594
2789,"Disulfide, hexyl methyl",64580-52-5,DTXSID50336780,536236,"Disulfide, hexyl methyl",WZUAZKYWEVGSEC-UHFFFAOYSA-N,1-(Methyldisulfanyl)hexane,CCCCCCSSC,"InChI=1S/C7H16S2/c1-3-4-5-6-7-9-8-2/h3-7H2,1-2H3",C7H16S2,164.0693429
2790,"Pentanoic acid, 4-methyl-",646-07-1,DTXSID8060951,12587,"Pentanoic acid, 4-methyl-",FGKJLKRYENPLQH-UHFFFAOYSA-N,4-Methylpentanoic acid,CC(C)CCC(O)=O,"InChI=1S/C6H12O2/c1-5(2)3-4-6(7)8/h5H,3-4H2,1-2H3,(H,7,8)",C6H12O2,116.0837296
2791,Nonadecanoic acid,646-30-0,DTXSID3060954,12591,Nonadecanoic acid,ISYWECDDZWTKFF-UHFFFAOYSA-N,Nonadecanoic acid,CCCCCCCCCCCCCCCCCCC(O)=O,"InChI=1S/C19H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21/h2-18H2,1H3,(H,20,21)",C19H38O2,298.2871805
2792,n-Tetracosane,646-31-1,DTXSID8060955,12592,n-Tetracosane,POOSGDOYLQNASK-UHFFFAOYSA-N,Tetracosane,CCCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C24H50/c1-3-5-7-9-11-13-15-17-19-21-23-24-22-20-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3",C24H50,338.3912516
2793,"1-METHYL-2,3-DIHYDRO-1H-INDEN-1-OL",64666-42-8,DTXSID00342679,583751,"1-METHYL-2,3-DIHYDRO-1H-INDEN-1-OL",ARYNNMVDWALCPX-UHFFFAOYSA-N,"1-Methyl-2,3-dihydro-1H-inden-1-ol",CC1(O)CCC2=CC=CC=C12,"InChI=1S/C10H12O/c1-10(11)7-6-8-4-2-3-5-9(8)10/h2-5,11H,6-7H2,1H3",C10H12O,148.088815
2794,Benzoic acid,65-85-0,DTXSID6020143,243,Benzoic acid,WPYMKLBDIGXBTP-UHFFFAOYSA-N,Benzoic acid,OC(=O)C1=CC=CC=C1,"InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)",C7H6O2,122.0367794
2795,"1,4-Dibromo-2-(4-bromophenoxy)benzene",65075-08-3,DTXSID90573490,15509891,"1,4-Dibromo-2-(4-bromophenoxy)benzene",PURZBWMLFRWRMG-UHFFFAOYSA-N,"1,4-Dibromo-2-(4-bromophenoxy)benzene",BrC1=CC=C(OC2=C(Br)C=CC(Br)=C2)C=C1,InChI=1S/C12H7Br3O/c13-8-1-4-10(5-2-8)16-12-7-9(14)3-6-11(12)15/h1-7H,C12H7Br3O,403.804704
2796,"6-tridecene, (z)-",6508-77-6,DTXSID10880931,5356954,"6-tridecene, (z)-",QHOMPCGOCNNMFK-QBFSEMIESA-N,(6Z)-Tridec-6-ene,CCCCCC\C=C/CCCCC,"InChI=1S/C13H26/c1-3-5-7-9-11-13-12-10-8-6-4-2/h11,13H,3-10,12H2,1-2H3/b13-11-",C13H26,182.2034508
2797,"5,6-Dimethoxysterigmatocystin",65176-75-2,DTXSID1020489,5284386,"5,6-Dimethoxysterigmatocystin",RSPJLZQIZABVSE-UHFFFAOYSA-N,"8-Hydroxy-6,10,11-trimethoxy-3a,12c-dihydro-7H-furo[3',2':4,5]furo[2,3-c]xanthen-7-one",COC1=CC2=C(C3C=COC3O2)C2=C1C(=O)C1=C(O2)C(OC)=C(OC)C=C1O,"InChI=1S/C20H16O8/c1-23-10-7-11-13(8-4-5-26-20(8)27-11)18-15(10)16(22)14-9(21)6-12(24-2)17(25-3)19(14)28-18/h4-8,20-21H,1-3H3",C20H16O8,384.0845175
2798,"Benzoic acid, 2-methyl-, butyl ester",65382-88-9,DTXSID50215703,123560,"Benzoic acid, 2-methyl-, butyl ester",GALQLODNTKQGFE-UHFFFAOYSA-N,Butyl 2-methylbenzoate,CCCCOC(=O)C1=CC=CC=C1C,"InChI=1S/C12H16O2/c1-3-4-9-14-12(13)11-8-6-5-7-10(11)2/h5-8H,3-4,9H2,1-2H3",C12H16O2,192.1150298
2800,Butyl cyclohexanecarboxylate,6553-81-7,DTXSID30984127,81040,Butyl cyclohexanecarboxylate,IPGMIYAOWRJGBE-UHFFFAOYSA-N,Butyl cyclohexanecarboxylate,CCCCOC(=O)C1CCCCC1,"InChI=1S/C11H20O2/c1-2-3-9-13-11(12)10-7-5-4-6-8-10/h10H,2-9H2,1H3",C11H20O2,184.1463299
2801,3-Methyloctadecane,6561-44-0,DTXSID10984185,110905,3-Methyloctadecane,PGZRTPKNSFMAOP-UHFFFAOYSA-N,3-Methyloctadecane,CCCCCCCCCCCCCCCC(C)CC,"InChI=1S/C19H40/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19(3)5-2/h19H,4-18H2,1-3H3",C19H40,268.3130013
2802,Bis(tert-butylphenyl)phenyl phosphate,65652-41-7,DTXSID3028269,,Bis(tert-butylphenyl)phenyl phosphate,,,,,,
2803,"1-Methyl-7-(propan-2-yl)-1,2,3,4-tetrahydrophenanthrene",6566-19-4,DTXSID40984219,613986,"1-Methyl-7-(propan-2-yl)-1,2,3,4-tetrahydrophenanthrene",PEGDXOHRNDHEEB-UHFFFAOYSA-N,"1-Methyl-7-(propan-2-yl)-1,2,3,4-tetrahydrophenanthrene",CC(C)C1=CC2=C(C=C1)C1=C(C=C2)C(C)CCC1,"InChI=1S/C18H22/c1-12(2)14-7-10-17-15(11-14)8-9-16-13(3)5-4-6-18(16)17/h7-13H,4-6H2,1-3H3",C18H22,238.1721507
2804,"3,6,9,12,15-Pentaoxabicyclo(15.3.1)henicosa-1(21),17,19-triene-2,16-dione",65745-83-7,DTXSID10215946,326440,"3,6,9,12,15-Pentaoxabicyclo(15.3.1)henicosa-1(21),17,19-triene-2,16-dione",HZYZWGYPBXBALT-UHFFFAOYSA-N,"3,6,9,12,15-Pentaoxabicyclo[15.3.1]henicosa-1(21),17,19-triene-2,16-dione",O=C1OCCOCCOCCOCCOC(=O)C2=CC=CC1=C2,"InChI=1S/C16H20O7/c17-15-13-2-1-3-14(12-13)16(18)23-11-9-21-7-5-19-4-6-20-8-10-22-15/h1-3,12H,4-11H2",C16H20O7,324.120903
2805,"Phenol, 2,6-bis(1,1-dimethylethyl)-4-(1,1,3,3-tetramethylbutyl)-",65796-87-4,DTXSID6070354,105211,"Phenol, 2,6-bis(1,1-dimethylethyl)-4-(1,1,3,3-tetramethylbutyl)-",VDOJQPKPGQMNDA-UHFFFAOYSA-N,"2,6-Di-tert-butyl-4-(2,4,4-trimethylpentan-2-yl)phenol",CC(C)(C)CC(C)(C)C1=CC(=C(O)C(=C1)C(C)(C)C)C(C)(C)C,"InChI=1S/C22H38O/c1-19(2,3)14-22(10,11)15-12-16(20(4,5)6)18(23)17(13-15)21(7,8)9/h12-13,23H,14H2,1-11H3",C22H38O,318.2922658
2806,"3-phenylthiane,s,s-dioxide",6581-68-6,DTXSID30880918,588992,"3-phenylthiane,s,s-dioxide",XKCGFOMTBPFTCD-UHFFFAOYSA-N,"3-Phenyl-1lambda~6~-thiane-1,1-dione",O=S1(=O)CCCC(C1)C1=CC=CC=C1,"InChI=1S/C11H14O2S/c12-14(13)8-4-7-11(9-14)10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2",C11H14O2S,210.0714509
2807,"benzene, (1-methylheptadecyl)-",6583-67-1,DTXSID70880755,570613,"benzene, (1-methylheptadecyl)-",TWACGLJYZUHSPS-UHFFFAOYSA-N,(Octadecan-2-yl)benzene,CCCCCCCCCCCCCCCCC(C)C1=CC=CC=C1,"InChI=1S/C24H42/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20-23(2)24-21-18-16-19-22-24/h16,18-19,21-23H,3-15,17,20H2,1-2H3",C24H42,330.3286514
2808,"1H-Pyrrolo[3,2-d]pyrimidine-2,4(3H,5H)-dione",65996-50-1,DTXSID30343770,592097,"1H-Pyrrolo[3,2-d]pyrimidine-2,4(3H,5H)-dione",BSRITDQWGPSXPQ-UHFFFAOYSA-N,"1H-Pyrrolo[3,2-d]pyrimidine-2,4(3H,5H)-dione",O=C1NC2=C(NC=C2)C(=O)N1,"InChI=1S/C6H5N3O2/c10-5-4-3(1-2-7-4)8-6(11)9-5/h1-2,7H,(H2,8,9,10,11)",C6H5N3O2,151.0381764
2809,Hexanal,66-25-1,DTXSID2021604,6184,Hexanal,JARKCYVAAOWBJS-UHFFFAOYSA-N,Hexanal,CCCCCC=O,"InChI=1S/C6H12O/c1-2-3-4-5-6-7/h6H,2-5H2,1H3",C6H12O,100.088815
2810,"2,3,7,8-Tetrahydro-2,5,8-benzotrioxacycloundecine-1,9-dione",6607-34-7,DTXSID10216271,81082,"2,3,7,8-Tetrahydro-2,5,8-benzotrioxacycloundecine-1,9-dione",PMDHMYFSRFZGIO-UHFFFAOYSA-N,"1,4,7-Trioxacyclotridecane-8,13-dione",O=C1CCCCC(=O)OCCOCCO1,InChI=1S/C10H16O5/c11-9-3-1-2-4-10(12)15-8-6-13-5-7-14-9/h1-8H2,C10H16O5,216.0997736
2811,1-Docosanol,661-19-8,DTXSID4027286,12620,1-Docosanol,NOPFSRXAKWQILS-UHFFFAOYSA-N,Docosan-1-ol,CCCCCCCCCCCCCCCCCCCCCCO,"InChI=1S/C22H46O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23/h23H,2-22H2,1H3",C22H46O,326.3548661
2812,"(2E)-3,5-Dimethyl-2-hexene (ACI)",66225-12-5,DTXSID301350689,5362848,"(2E)-3,5-Dimethyl-2-hexene",BQAZYKYBFAMHPG-VMPITWQZSA-N,,C\C=C(/C)CC(C)C,"InChI=1S/C8H16/c1-5-8(4)6-7(2)3/h5,7H,6H2,1-4H3/b8-5+",C8H16,112.1252005
2813,"2-Heptanol, 2-benzoate (ACI)",6624-59-5,DTXSID901347868,243678,2-Heptyl benzoate,WMGISUKBJZWCDP-UHFFFAOYSA-N,,CCCCCC(C)OC(=O)C1=CC=CC=C1,"InChI=1S/C14H20O2/c1-3-4-6-9-12(2)16-14(15)13-10-7-5-8-11-13/h5,7-8,10-12H,3-4,6,9H2,1-2H3",C14H20O2,220.1463299
2814,"(2,6,6-Trimethylcyclohex-2-en-1-yl)methanol",6627-74-3,DTXSID90871165,97932,"(2,6,6-Trimethylcyclohex-2-en-1-yl)methanol",WFBRXMMODZGJPF-UHFFFAOYSA-N,"(2,6,6-Trimethylcyclohex-2-en-1-yl)methanol",CC1=CCCC(C)(C)C1CO,"InChI=1S/C10H18O/c1-8-5-4-6-10(2,3)9(8)7-11/h5,9,11H,4,6-7H2,1-3H3",C10H18O,154.1357652
2815,"1,2,3-Trimethylphenanthrene (ACI)",66271-44-1,,13031617,"1,2,3-Trimethylphenanthrene (ACI)",QQNCFPSOCWSBBA-UHFFFAOYSA-N,"1,2,3-trimethylphenanthrene",C=1C=CC2=C(C1)C=CC3=C2C=C(C(=C3C)C)C,"InChI=1S/C17H16/c1-11-10-17-15(13(3)12(11)2)9-8-14-6-4-5-7-16(14)17/h4-10H,1-3H3",C17H16,220.125
2816,"Pyrene, 4,5-dihydro-",6628-98-4,DTXSID20216489,23111,"Pyrene, 4,5-dihydro-",WPCIUCNVWJNRCD-UHFFFAOYSA-N,"4,5-Dihydropyrene",C1CC2=CC=CC3=C2C2=C(C=CC=C12)C=C3,"InChI=1S/C16H12/c1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14/h1-7,9H,8,10H2",C16H12,204.0939004
2817,"Acetic acid, oxydi-, dibutyl ester",6634-18-0,DTXSID20216545,23120,"Acetic acid, oxydi-, dibutyl ester",GYTOWSMQXHCYNU-UHFFFAOYSA-N,"Dibutyl 2,2'-oxydiacetate",CCCCOC(=O)COCC(=O)OCCCC,"InChI=1S/C12H22O5/c1-3-5-7-16-11(13)9-15-10-12(14)17-8-6-4-2/h3-10H2,1-2H3",C12H22O5,246.1467238
2818,"Naphthalene, 2-ethyldecahydro-, (2?,4a?,8a?)- (9CI)",66660-42-2,,,"Naphthalene, 2-ethyldecahydro-, (2?,4a?,8a?)- (9CI)",HLQZZLGOHWUHQM-XMXUMIDENA-N,,CCC1CCC2CCCCC2C1,"InChI=1S/C12H22/c1-2-10-7-8-11-5-3-4-6-12(11)9-10/h10-12H,2-9H2,1H3",,
2819,"Benzene, (1,1-dimethylethoxy)-",6669-13-2,DTXSID30216839,81179,"Benzene, (1,1-dimethylethoxy)-",PNKZBZPLRKCVLI-UHFFFAOYSA-N,tert-Butoxybenzene,CC(C)(C)OC1=CC=CC=C1,"InChI=1S/C10H14O/c1-10(2,3)11-9-7-5-4-6-8-9/h4-8H,1-3H3",C10H14O,150.1044651
2820,"2-[[4,6-Di-O-acetyl-2-azido-2-deoxy-3-O-(2,3,4,6-tetra-O-acetyl-?-D-galactopyranosyl)-?-D-galactopyranosyl]oxy]-1H-isoindole-1,3(2H)-dione (ACI)",667456-70-4,,134937709,"2-[[4,6-Di-O-acetyl-2-azido-2-deoxy-3-O-(2,3,4,6-tetra-O-acetyl-?-D-galactopyranosyl)-?-D-galactopyranosyl]oxy]-1H-isoindole-1,3(2H)-dione (ACI)",HEKSVAISCMPIEX-VPCFQDBZSA-N,"[(2R,3R,4R,5R,6R)-3-acetyloxy-5-azido-6-(1,3-dioxoisoindol-2-yl)oxy-4-[(2R,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl acetate",[N-]=[N+]=NC1C(ON2C(=O)C=3C=CC=CC3C2=O)OC(COC(=O)C)C(OC(=O)C)C1OC4OC(COC(=O)C)C(OC(=O)C)C(OC(=O)C)C4OC(=O)C,"InChI=1S/C32H36N4O18/c1-13(37)45-11-21-24(47-15(3)39)26(23(34-35-33)31(51-21)54-36-29(43)19-9-7-8-10-20(19)30(36)44)53-32-28(50-18(6)42)27(49-17(5)41)25(48-16(4)40)22(52-32)12-46-14(2)38/h7-10,21-28,31-32H,11-12H2,1-6H3",C32H36N4O18,764.202
2821,Fentin,668-34-8,DTXSID9058153,91481,Fentin,XBRCDWHXULVEFB-UHFFFAOYSA-N,Triphenylstannanylium,C1=CC=C(C=C1)[Sn+](C1=CC=CC=C1)C1=CC=CC=C1,InChI=1S/3C6H5.Sn/c3*1-2-4-6-5-3-1;/h3*1-5H;/q;;;+1,C18H15Sn,351.019029
2822,"4,7-Dimethylindan",6682-71-9,DTXSID1064451,23151,"4,7-Dimethylindan",IWHKMCQFAMHMSX-UHFFFAOYSA-N,"4,7-Dimethyl-2,3-dihydro-1H-indene",CC1=CC=C(C)C2=C1CCC2,"InChI=1S/C11H14/c1-8-6-7-9(2)11-5-3-4-10(8)11/h6-7H,3-5H2,1-2H3",C11H14,146.1095505
2823,Irganox 1010,6683-19-8,DTXSID1027633,64819,Irganox 1010,BGYHLZZASRKEJE-UHFFFAOYSA-N,"2,2-Bis({[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoyl]oxy}methyl)propane-1,3-diyl bis[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoate]",CC(C)(C)C1=CC(CCC(=O)OCC(COC(=O)CCC2=CC(=C(O)C(=C2)C(C)(C)C)C(C)(C)C)(COC(=O)CCC2=CC(=C(O)C(=C2)C(C)(C)C)C(C)(C)C)COC(=O)CCC2=CC(=C(O)C(=C2)C(C)(C)C)C(C)(C)C)=CC(=C1O)C(C)(C)C,"InChI=1S/C73H108O12/c1-65(2,3)49-33-45(34-50(61(49)78)66(4,5)6)25-29-57(74)82-41-73(42-83-58(75)30-26-46-35-51(67(7,8)9)62(79)52(36-46)68(10,11)12,43-84-59(76)31-27-47-37-53(69(13,14)15)63(80)54(38-47)70(16,17)18)44-85-60(77)32-28-48-39-55(71(19,20)21)64(81)56(40-48)72(22,23)24/h33-40,78-81H,25-32,41-44H2,1-24H3",C73H108O12,1176.784079
2824,"2-Bromo-1,4-bis(1,1-dimethylethyl)benzene (ACI)",6683-74-5,,620135,"2-Bromo-1,4-bis(1,1-dimethylethyl)benzene (ACI)",JFRPIGCUUJRXMT-UHFFFAOYSA-N,"2-bromo-1,4-ditert-butylbenzene",BrC1=CC(=CC=C1C(C)(C)C)C(C)(C)C,"InChI=1S/C14H21Br/c1-13(2,3)10-7-8-11(12(15)9-10)14(4,5)6/h7-9H,1-6H3",C14H21Br,268.083
2826,Methanol,67-56-1,DTXSID2021731,887,Methanol,OKKJLVBELUTLKV-UHFFFAOYSA-N,Methanol,CO,"InChI=1S/CH4O/c1-2/h2H,1H3",CH4O,32.02621475
2827,Isopropanol,67-63-0,DTXSID7020762,3776,Isopropanol,KFZMGEQAYNKOFK-UHFFFAOYSA-N,Propan-2-ol,CC(C)O,"InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3",C3H8O,60.05751488
2828,Acetone,67-64-1,DTXSID8021482,180,Acetone,CSCPPACGZOOCGX-UHFFFAOYSA-N,Propan-2-one,CC(C)=O,InChI=1S/C3H6O/c1-3(2)4/h1-2H3,C3H6O,58.04186481
2829,Chloroform,67-66-3,DTXSID1020306,6212,Chloroform,HEDRZPFGACZZDS-UHFFFAOYSA-N,Trichloromethane,ClC(Cl)Cl,InChI=1S/CHCl3/c2-1(3)4/h1H,CHCl3,117.9143831
2830,Dihydrotachysterol,67-96-9,DTXSID5022938,5311071,Dihydrotachysterol,ILYCWAKSDCYMBB-OPCMSESCSA-N,"(3S,5E,7E,10S,22E)-9,10-Secoergosta-5,7,22-trien-3-ol",CC(C)[C@@H](C)\C=C\[C@@H](C)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1/C[C@@H](O)CC[C@@H]1C,"InChI=1S/C28H46O/c1-19(2)20(3)9-10-22(5)26-15-16-27-23(8-7-17-28(26,27)6)12-13-24-18-25(29)14-11-21(24)4/h9-10,12-13,19-22,25-27,29H,7-8,11,14-18H2,1-6H3/b10-9+,23-12+,24-13+/t20-,21-,22+,25-,26+,27-,28+/m0/s1",C28H46O,398.3548661
2831,Octyl 2-cyanoacrylate,6701-17-3,DTXSID10217208,23167,Octyl 2-cyanoacrylate,RPQUGMLCZLGZTG-UHFFFAOYSA-N,Octyl 2-cyanoprop-2-enoate,CCCCCCCCOC(=O)C(=C)C#N,"InChI=1S/C12H19NO2/c1-3-4-5-6-7-8-9-15-12(14)11(2)10-13/h2-9H2,1H3",C12H19NO2,209.1415789
2832,Abietal,6704-50-3,DTXSID10332107,443479,Abietal,HOFSYSONRIGEAC-LWYYNNOASA-N,"Abieta-7,13-dien-18-al",CC(C)C1=CC2=CC[C@H]3[C@@](C)(CCC[C@]3(C)[C@H]2CC1)C=O,"InChI=1S/C20H30O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h7,12-14,17-18H,5-6,8-11H2,1-4H3/t17-,18-,19-,20+/m0/s1",C20H30O,286.2296656
2833,(2E)-2-Hexenal,6728-26-3,DTXSID1041425,5281168,(2E)-2-Hexenal,MBDOYVRWFFCFHM-SNAWJCMRSA-N,(2E)-Hex-2-enal,CCC\C=C\C=O,"InChI=1S/C6H10O/c1-2-3-4-5-6-7/h4-6H,2-3H2,1H3/b5-4+",C6H10O,98.07316494
2834,"4-Heptenal, (4Z)-",6728-31-0,DTXSID50884332,5362814,"4-Heptenal, (4Z)-",VVGOCOMZRGWHPI-ARJAWSKDSA-N,(4Z)-Hept-4-enal,CC\C=C/CCC=O,"InChI=1S/C7H12O/c1-2-3-4-5-6-7-8/h3-4,7H,2,5-6H2,1H3/b4-3-",C7H12O,112.088815
2835,1-Phenyl-1-propyne,673-32-5,DTXSID10217667,69601,1-Phenyl-1-propyne,GHUURDQYRGVEHX-UHFFFAOYSA-N,(Prop-1-yn-1-yl)benzene,CC#CC1=CC=CC=C1,"InChI=1S/C9H8/c1-2-6-9-7-4-3-5-8-9/h3-5,7-8H,1H3",C9H8,116.0626003
2836,"4-methylnaphtho[1,2-b]thiophene",67388-11-8,DTXSID60880805,15587489,"4-methylnaphtho[1,2-b]thiophene",UDHJNWLQOZSJSP-UHFFFAOYSA-N,"4-Methylnaphtho[1,2-b]thiophene",CC1=CC2=CC=CC=C2C2=C1C=CS2,"InChI=1S/C13H10S/c1-9-8-10-4-2-3-5-12(10)13-11(9)6-7-14-13/h2-8H,1H3",C13H10S,198.0503215
2837,1-Phenylundecane,6742-54-7,DTXSID3029281,23194,n-Undecylbenzene,XBEADGFTLHRJRB-UHFFFAOYSA-N,Undecylbenzene,CCCCCCCCCCCC1=CC=CC=C1,"InChI=1S/C17H28/c1-2-3-4-5-6-7-8-9-11-14-17-15-12-10-13-16-17/h10,12-13,15-16H,2-9,11,14H2,1H3",C17H28,232.2191009
2838,Methyl 1-methylpropyl disulfide (ACI),67421-87-8,,522263,Methyl 1-methylpropyl disulfide (ACI),QTWVOHZEDPQFTP-UHFFFAOYSA-N,2-(methyldisulfanyl)butane,S(SC(C)CC)C,"InChI=1S/C5H12S2/c1-4-5(2)7-6-3/h5H,4H2,1-3H3",C5H12S2,136.038
2839,"1-dodecanol, 3,7,11-trimethyl-",6750-34-1,DTXSID70880730,138824,"1-dodecanol, 3,7,11-trimethyl-",HDPUXESLSOZSIB-UHFFFAOYSA-N,"3,7,11-Trimethyldodecan-1-ol",CC(C)CCCC(C)CCCC(C)CCO,"InChI=1S/C15H32O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h13-16H,5-12H2,1-4H3",C15H32O,228.2453157
2840,"1h-cycloprop[e]azulen-7-ol, decahydro-1,1,7-trimethyl-4-methylene-, [1ar-(1aalpha,4aalpha,7beta,7abeta,7balpha)]-",6750-60-3,DTXSID00881210,13854258,Spathulenol,FRMCCTDTYSRUBE-ARUSPNSKSA-N,"(1aR,4aR,7S,7aS)-1,1,7-Trimethyl-4-methylidenedecahydro-1H-cyclopropa[e]azulen-7-ol",CC1(C)[C@@H]2CCC(=C)[C@@H]3CC[C@](C)(O)[C@@H]3[C@H]12,"InChI=1S/C15H24O/c1-9-5-6-11-13(14(11,2)3)12-10(9)7-8-15(12,4)16/h10-13,16H,1,5-8H2,2-4H3/t10-,11+,12-,13+,15-/m0/s1",C15H24O,220.1827154
2841,alpha-Humalene,6753-98-6,DTXSID30858793,5281520,alpha-Humulene,FAMPSKZZVDUYOS-HRGUGZIWSA-N,"(1E,4E,8E)-2,6,6,9-Tetramethylcycloundeca-1,4,8-triene",C\C1=C/CC(C)(C)\C=C\C\C(C)=C\CC1,"InChI=1S/C15H24/c1-13-7-5-8-14(2)10-12-15(3,4)11-6-9-13/h6-7,10-11H,5,8-9,12H2,1-4H3/b11-6+,13-7+,14-10+",C15H24,204.1878008
2842,"1,2,3,4,6,7,8-Heptachlorodibenzo[b,d]furan",67562-39-4,DTXSID8052350,38199,"1,2,3,4,6,7,8-Heptachlorodibenzo[b,d]furan",WDMKCPIVJOGHBF-UHFFFAOYSA-N,"1,2,3,4,6,7,8-Heptachlorodibenzo[b,d]furan",ClC1=CC2=C(OC3=C(Cl)C(Cl)=C(Cl)C(Cl)=C23)C(Cl)=C1Cl,InChI=1S/C12HCl7O/c13-3-1-2-4-6(15)7(16)8(17)10(19)12(4)20-11(2)9(18)5(3)14/h1H,C12HCl7O,405.7847086
2843,1-?Heptadecene,6765-39-5,DTXSID00873236,23217,1-​Heptadecene,ADOBXTDBFNCOBN-UHFFFAOYSA-N,Heptadec-1-ene,CCCCCCCCCCCCCCCC=C,"InChI=1S/C17H34/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3H,1,4-17H2,2H3",C17H34,238.2660511
2844,N-[Hydroxy(1-lysylpyrrolidin-2-yl)methylidene]valine,67727-97-3,DTXSID80987067,125672,N-[Hydroxy(1-lysylpyrrolidin-2-yl)methylidene]valine,YSPZCHGIWAQVKQ-AVGNSLFASA-N,N-{Hydroxy[(2S)-1-L-lysylpyrrolidin-2-yl]methylidene}-L-valine,[H][C@](N)(CCCCN)C(=O)N1CCC[C@@]1([H])C(O)=N[C@@]([H])(C(C)C)C(O)=O,"InChI=1S/C16H30N4O4/c1-10(2)13(16(23)24)19-14(21)12-7-5-9-20(12)15(22)11(18)6-3-4-8-17/h10-13H,3-9,17-18H2,1-2H3,(H,19,21)(H,23,24)/t11-,12-,13-/m0/s1",C16H30N4O4,342.2267055
2845,"1,1'-Biphenyl, 2,2',3,4,4',5,5'-heptabromo-",67733-52-2,DTXSID70218014,49972,"1,1'-Biphenyl, 2,2',3,4,4',5,5'-heptabromo-",RPGHQOFAFNAVNA-UHFFFAOYSA-N,"2,2',3,4,4',5,5'-Heptabromo-1,1'-biphenyl",BrC1=CC(Br)=C(Br)C=C1C1=CC(Br)=C(Br)C(Br)=C1Br,InChI=1S/C12H3Br7/c13-6-3-8(15)7(14)1-4(6)5-2-9(16)11(18)12(19)10(5)17/h1-3H,C12H3Br7,699.451841
2846,"2,3,7,8-Tetrabromodibenzofuran",67733-57-7,DTXSID6073605,49973,"2,3,7,8-Tetrabromodibenzofuran",HCSRVQXNLHZQNM-UHFFFAOYSA-N,"2,3,7,8-Tetrabromodibenzo[b,d]furan",BrC1=CC2=C(C=C1Br)C1=C(O2)C=C(Br)C(Br)=C1,InChI=1S/C12H4Br4O/c13-7-1-5-6-2-8(14)10(16)4-12(6)17-11(5)3-9(7)15/h1-4H,C12H4Br4O,479.699567
2847,"Fatty acids, C14-18 and C16-18-unsatd., Me esters",67762-26-9,DTXSID5028322,,"Fatty acids, C14-18 and C16-18-unsatd., Me esters",,,,,,
2848,BDE-202,67797-09-5,DTXSID50879985,3290414,BDE-202,AHNZLQAZTWRRDW-UHFFFAOYSA-N,"1,1'-Oxybis(2,3,5,6-tetrabromobenzene)",BrC1=CC(Br)=C(Br)C(OC2=C(Br)C(Br)=CC(Br)=C2Br)=C1Br,InChI=1S/C12H2Br8O/c13-3-1-4(14)8(18)11(7(3)17)21-12-9(19)5(15)2-6(16)10(12)20/h1-2H,C12H2Br8O,793.357269
2849,"Benzene-1,3-bis(acetyl)",6781-42-6,DTXSID80218060,23229,"Benzene-1,3-bis(acetyl)",VCHOFVSNWYPAEF-UHFFFAOYSA-N,"1,1'-(1,3-Phenylene)di(ethan-1-one)",CC(=O)C1=CC(=CC=C1)C(C)=O,"InChI=1S/C10H10O2/c1-7(11)9-4-3-5-10(6-9)8(2)12/h3-6H,1-2H3",C10H10O2,162.0680796
2850,"cyclohexane, 1,1,2,3-tetramethyl-",6783-92-2,DTXSID00880783,549623,"cyclohexane, 1,1,2,3-tetramethyl-",BUOAKQCLRBVIOX-UHFFFAOYSA-N,"1,1,2,3-Tetramethylcyclohexane",CC1CCCC(C)(C)C1C,"InChI=1S/C10H20/c1-8-6-5-7-10(3,4)9(8)2/h8-9H,5-7H2,1-4H3",C10H20,140.1565006
2851,"Hexadecyl 3,5-di-tert-butyl-4-hydroxybenzoate",67845-93-6,DTXSID0052382,94623,"Hexadecyl 3,5-di-tert-butyl-4-hydroxybenzoate",NZYMWGXNIUZYRC-UHFFFAOYSA-N,"Hexadecyl 3,5-di-tert-butyl-4-hydroxybenzoate",CCCCCCCCCCCCCCCCOC(=O)C1=CC(=C(O)C(=C1)C(C)(C)C)C(C)(C)C,"InChI=1S/C31H54O3/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-34-29(33)25-23-26(30(2,3)4)28(32)27(24-25)31(5,6)7/h23-24,32H,8-22H2,1-7H3",C31H54O3,474.4072956
2852,"2,3,4,5,2',3',4',5'-Octabromobiphenyl",67889-00-3,DTXSID10987252,119294,"2,3,4,5,2',3',4',5'-Octabromobiphenyl",HHYHNDNRLUQCEG-UHFFFAOYSA-N,"2,2',3,3',4,4',5,5'-Octabromo-1,1'-biphenyl",BrC1=C(Br)C(Br)=C(Br)C(=C1)C1=CC(Br)=C(Br)C(Br)=C1Br,InChI=1S/C12H2Br8/c13-5-1-3(7(15)11(19)9(5)17)4-2-6(14)10(18)12(20)8(4)16/h1-2H,C12H2Br8,777.362354
2853,Hexyl benzoate,6789-88-4,DTXSID9025403,23235,Hexyl benzoate,UUGLJVMIFJNVFH-UHFFFAOYSA-N,Hexyl benzoate,CCCCCCOC(=O)C1=CC=CC=C1,"InChI=1S/C13H18O2/c1-2-3-4-8-11-15-13(14)12-9-6-5-7-10-12/h5-7,9-10H,2-4,8,11H2,1H3",C13H18O2,206.1306798
2854,(-)-Ambroxide,6790-58-5,DTXSID0047113,10857465,(-)-Ambroxide,YPZUZOLGGMJZJO-LQKXBSAESA-N,"(3aR,5aS,9aS,9bR)-3a,6,6,9a-Tetramethyldodecahydronaphtho[2,1-b]furan",C[C@@]12CC[C@H]3C(C)(C)CCC[C@]3(C)[C@H]1CCO2,"InChI=1S/C16H28O/c1-14(2)8-5-9-15(3)12(14)6-10-16(4)13(15)7-11-17-16/h12-13H,5-11H2,1-4H3/t12-,13+,15-,16+/m0/s1",C16H28O,236.2140155
2855,"Propanal, 2-methyl-2-(methyldithio)-",67952-60-7,DTXSID9070903,106217,"Propanal, 2-methyl-2-(methyldithio)-",VLBWEJJOETYCSE-UHFFFAOYSA-N,2-Methyl-2-(methyldisulfanyl)propanal,CSSC(C)(C)C=O,"InChI=1S/C5H10OS2/c1-5(2,4-6)8-7-3/h4H,1-3H3",C5H10OS2,150.0173073
2856,"Ethanaminium, N,N,N-triethyl-, iodide (1:1)",68-05-3,DTXSID80883217,6225,"Ethanaminium, N,N,N-triethyl-, iodide (1:1)",UQFSVBXCNGCBBW-UHFFFAOYSA-M,"N,N,N-Triethylethanaminium iodide",[I-].CC[N+](CC)(CC)CC,"InChI=1S/C8H20N.HI/c1-5-9(6-2,7-3)8-4;/h5-8H2,1-4H3;1H/q+1;/p-1",C8H20IN,257.06404
2857,"N,N-Dimethylformamide",68-12-2,DTXSID6020515,6228,"N,N-Dimethylformamide",ZMXDDKWLCZADIW-UHFFFAOYSA-N,"N,N-Dimethylformamide",CN(C)C=O,"InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3",C3H7NO,73.05276385
2858,Tetramethyl orthosilicate,681-84-5,DTXSID3027291,12682,Tetramethyl orthosilicate,LFQCEHFDDXELDD-UHFFFAOYSA-N,Tetramethyl orthosilicate,CO[Si](OC)(OC)OC,"InChI=1S/C4H12O4Si/c1-5-9(6-2,7-3)8-4/h1-4H3",C4H12O4Si,152.0504854
2859,"Amides, C10-16, N,N-bis(hydroxyethyl)",68155-05-5,DTXSID00894486,,"Amides, C10-16, N,N-bis(hydroxyethyl)",,,,,,
2860,(-)-Aristolene,6831-16-9,DTXSID801317462,12309878,(-)-Aristolene,FOBXOZMHEKILEY-PBOSXPJTSA-N,Aristol-9-ene,C[C@@H]1CCCC2=CC[C@@H]3[C@@H](C3(C)C)[C@@]12C,"InChI=1S/C15H24/c1-10-6-5-7-11-8-9-12-13(14(12,2)3)15(10,11)4/h8,10,12-13H,5-7,9H2,1-4H3/t10-,12-,13+,15+/m1/s1",C15H24,204.1878008
2861,6-Dodecanol,6836-38-0,DTXSID60871172,23268,6-Dodecanol,LRBBIFXICMMTOW-UHFFFAOYSA-N,Dodecan-6-ol,CCCCCCC(O)CCCCC,"InChI=1S/C12H26O/c1-3-5-7-9-11-12(13)10-8-6-4-2/h12-13H,3-11H2,1-2H3",C12H26O,186.1983655
2862,"2,2,4-Trimethyl-1,3-pentanediol diisobutyrate",6846-50-0,DTXSID1027635,23284,"2,2,4-Trimethyl-1,3-pentanediol diisobutyrate",OMVSWZDEEGIJJI-UHFFFAOYSA-N,"2,2,4-Trimethylpentane-1,3-diyl bis(2-methylpropanoate)",CC(C)C(OC(=O)C(C)C)C(C)(C)COC(=O)C(C)C,"InChI=1S/C16H30O4/c1-10(2)13(20-15(18)12(5)6)16(7,8)9-19-14(17)11(3)4/h10-13H,9H2,1-8H3",C16H30O4,286.2144094
2863,"1,2-Benzenedicarboxylic acid, di-C7-11-branched and linear alkyl esters",68515-42-4,DTXSID90107638,,"1,2-Benzenedicarboxylic acid, di-C7-11-branched and linear alkyl esters",,,,,,
2864,"1,2-Benzenedicarboxylic acid, di-C6-10-alkyl esters",68515-51-5,DTXSID50892134,6781,"1,2-Benzenedicarboxylic acid, di-C6-10-alkyl esters",FLKPEMZONWLCSK-UHFFFAOYSA-N,,"CCOC(=O)C1=C(C=CC=C1)C(=O)OCC |c:7,9,t:5,lp:2:2,4:2,12:2,13:2,Sg:n:1:5-9:ht,Sg:n:14:5-9:ht|","InChI=1S/C12H14O4/c1-3-15-11(13)9-7-5-6-8-10(9)12(14)16-4-2/h5-8H,3-4H2,1-2H3",(CH2)5-9(CH2)5-9C10H10O4,
2865,Methyl diethyldithiocarbamate,686-07-7,DTXSID30218696,12704,Methyl diethyldithiocarbamate,JYRXPFCUABYLPD-UHFFFAOYSA-N,Methyl diethylcarbamodithioate,CCN(CC)C(=S)SC,"InChI=1S/C6H13NS2/c1-4-7(5-2)6(8)9-3/h4-5H2,1-3H3",C6H13NS2,163.0489418
2866,"2,2',4,4',5,5'-Hexabromodiphenyl ether",68631-49-2,DTXSID4030047,155166,"2,2',4,4',5,5'-Hexabromodiphenyl ether",RZXIRSKYBISPGF-UHFFFAOYSA-N,"1,1'-Oxybis(2,4,5-tribromobenzene)",BrC1=CC(Br)=C(OC2=CC(Br)=C(Br)C=C2Br)C=C1Br,InChI=1S/C12H4Br6O/c13-5-1-9(17)11(3-7(5)15)19-12-4-8(16)6(14)2-10(12)18/h1-4H,C12H4Br6O,637.536243
2867,"1-octanol, 3,7-dimethyl-, (s)-",68680-98-8,DTXSID80880726,6992239,"1-octanol, 3,7-dimethyl-, (s)-",PRNCMAKCNVRZFX-JTQLQIEISA-N,"(3S)-3,7-Dimethyloctan-1-ol",CC(C)CCC[C@H](C)CCO,"InChI=1S/C10H22O/c1-9(2)5-4-6-10(3)7-8-11/h9-11H,4-8H2,1-3H3/t10-/m0/s1",C10H22O,158.1670653
2868,"2,6-Dimethyl-3-octene (ACI)",6874-28-8,,522307,"2,6-Dimethyl-3-octene (ACI)",UUHFPYZUZFHRJP-UHFFFAOYSA-N,"2,6-dimethyloct-3-ene",C(=CC(C)C)CC(C)CC,"InChI=1S/C10H20/c1-5-10(4)8-6-7-9(2)3/h6-7,9-10H,5,8H2,1-4H3",C10H20,140.157
2869,PBDE 002,6876-00-2,DTXSID9074773,96165,PBDE 002,AHDAKFFMKLQPTD-UHFFFAOYSA-N,1-Bromo-3-phenoxybenzene,BrC1=CC=CC(OC2=CC=CC=C2)=C1,InChI=1S/C12H9BrO/c13-10-5-4-8-12(9-10)14-11-6-2-1-3-7-11/h1-9H,C12H9BrO,247.983678
2870,"1,2,4,7,9-Pentabromodibenzo[b,d]furan",68795-14-2,DTXSID10988502,50249,"1,2,4,7,9-Pentabromodibenzo[b,d]furan",KYCXSUKOCJIDGC-UHFFFAOYSA-N,"1,2,4,7,9-Pentabromodibenzo[b,d]furan",BrC1=CC(Br)=C2C(OC3=C(Br)C=C(Br)C(Br)=C23)=C1,InChI=1S/C12H3Br5O/c13-4-1-5(14)9-8(2-4)18-12-7(16)3-6(15)11(17)10(9)12/h1-3H,C12H3Br5O,557.61008
2871,Tributyltin,688-73-3,DTXSID0040709,5948,Tributyltin,DBGVGMSCBYYSLD-UHFFFAOYSA-N,Tributylstannane,CCCC[SnH](CCCC)CCCC,"InChI=1S/3C4H9.Sn.H/c3*1-3-4-2;;/h3*1,3-4H2,2H3;;",C12H28Sn,292.121303
2872,Tricyclodecenyl propionate,68912-13-0,DTXSID4052429,,Tricyclodecenyl propionate,,,,,,
2873,Heptabromodiphenyl ether,68928-80-3,DTXSID2071867,,Heptabromodiphenyl ether,,,,,,
2874,Triphenyl phosphates tert-butylated,68937-40-6,DTXSID20872645,,Triphenyl phosphates tert-butylated,,,,,,
2875,Methyl octadec-17-ynoate,68950-90-3,DTXSID80577321,15717634,Methyl octadec-17-ynoate,RLSBXSWPYYCJIV-UHFFFAOYSA-N,Methyl octadec-17-ynoate,COC(=O)CCCCCCCCCCCCCCCC#C,"InChI=1S/C19H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h1H,4-18H2,2H3",C19H34O2,294.2558803
2876,Salicylic acid,69-72-7,DTXSID7026368,118212070,Salicylic acid,YGSDEFSMJLZEOE-UHFFFAOYSA-N,2-Hydroxybenzoic acid,OC(=O)C1=C(O)C=CC=C1,"InChI=1S/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10)",C7H6O3,138.0316941
2877,"1,1'-Oxybis(3-bromobenzene)",6903-63-5,DTXSID90534622,13283773,"1,1'-Oxybis(3-bromobenzene)",ALSVFJIXSNRBLE-UHFFFAOYSA-N,"1,1'-Oxybis(3-bromobenzene)",BrC1=CC=CC(OC2=CC(Br)=CC=C2)=C1,InChI=1S/C12H8Br2O/c13-9-3-1-5-11(7-9)15-12-6-2-4-10(14)8-12/h1-8H,C12H8Br2O,325.894191
2878,"2,2',3,3',4,4',5,5',6-Nonabromo-1,1'-biphenyl",69278-62-2,DTXSID30219340,154397,"2,2',3,3',4,4',5,5',6-Nonabromo-1,1'-biphenyl",QLERKXRXNDBTDM-UHFFFAOYSA-N,"2,2',3,3',4,4',5,5',6-Nonabromo-1,1'-biphenyl",BrC1=CC(=C(Br)C(Br)=C1Br)C1=C(Br)C(Br)=C(Br)C(Br)=C1Br,InChI=1S/C12HBr9/c13-3-1-2(5(14)9(18)6(3)15)4-7(16)10(19)12(21)11(20)8(4)17/h1H,C12HBr9,855.272867
2879,"Dipropyl 3,4,5,6-tetrachlorobenzene-1,2-dicarboxylate",6928-67-2,DTXSID2044719,81346,"Dipropyl 3,4,5,6-tetrachlorobenzene-1,2-dicarboxylate",QJRSPJSHRYYBJL-UHFFFAOYSA-N,"Dipropyl 3,4,5,6-tetrachlorobenzene-1,2-dicarboxylate",CCCOC(=O)C1=C(Cl)C(Cl)=C(Cl)C(Cl)=C1C(=O)OCCC,"InChI=1S/C14H14Cl4O4/c1-3-5-21-13(19)7-8(14(20)22-6-4-2)10(16)12(18)11(17)9(7)15/h3-6H2,1-2H3",C14H14Cl4O4,385.9646197
2880,Methyl 15-methylhexadecanoate,6929-04-0,DTXSID10334924,522345,Methyl 15-methylhexadecanoate,BNHKXOIJKIMOJH-UHFFFAOYSA-N,Methyl 15-methylhexadecanoate,COC(=O)CCCCCCCCCCCCCC(C)C,"InChI=1S/C18H36O2/c1-17(2)15-13-11-9-7-5-4-6-8-10-12-14-16-18(19)20-3/h17H,4-16H2,1-3H3",C18H36O2,284.2715304
2881,Dodecanedioic acid,693-23-2,DTXSID3027297,12736,Dodecanedioic acid,TVIDDXQYHWJXFK-UHFFFAOYSA-N,Dodecanedioic acid,OC(=O)CCCCCCCCCCC(O)=O,"InChI=1S/C12H22O4/c13-11(14)9-7-5-3-1-2-4-6-8-10-12(15)16/h1-10H2,(H,13,14)(H,15,16)",C12H22O4,230.1518092
2882,2-Decanone,693-54-9,DTXSID9022104,12741,2-Decanone,ZAJNGDIORYACQU-UHFFFAOYSA-N,Decan-2-one,CCCCCCCCC(C)=O,"InChI=1S/C10H20O/c1-3-4-5-6-7-8-9-10(2)11/h3-9H2,1-2H3",C10H20O,156.1514153
2883,"Decanedioic acid, 1-ethyl ester",693-55-0,DTXSID80883479,69660,"Decanedioic acid, 1-ethyl ester",DLZCDMPHHUODDO-UHFFFAOYSA-N,10-Ethoxy-10-oxodecanoic acid,CCOC(=O)CCCCCCCCC(O)=O,"InChI=1S/C12H22O4/c1-2-16-12(15)10-8-6-4-3-5-7-9-11(13)14/h2-10H2,1H3,(H,13,14)",C12H22O4,230.1518092
2884,12-Aminododecanoic acid,693-57-2,DTXSID90883480,6997239,12-Aminododecanoic acid,PBLZLIFKVPJDCO-UHFFFAOYSA-N,12-Aminododecanoic acid,NCCCCCCCCCCCC(O)=O,"InChI=1S/C12H25NO2/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15/h1-11,13H2,(H,14,15)",C12H25NO2,215.188529
2885,trans-13-octadecenoic acid,693-71-0,DTXSID60880901,6161490,trans-13-octadecenoic acid,BDLLSHRIFPDGQB-AATRIKPKSA-N,(13E)-Octadec-13-enoic acid,CCCC\C=C\CCCCCCCCCCCC(O)=O,"InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h5-6H,2-4,7-17H2,1H3,(H,19,20)/b6-5+",C18H34O2,282.2558803
2886,1-Methylcyclopent-1-ene,693-89-0,DTXSID50870755,12746,1-Methylcyclopent-1-ene,ATQUFXWBVZUTKO-UHFFFAOYSA-N,1-Methylcyclopent-1-ene,CC1=CCCC1,"InChI=1S/C6H10/c1-6-4-2-3-5-6/h4H,2-3,5H2,1H3",C6H10,82.07825032
2887,2-Octyl benzoate,6938-51-8,DTXSID10288059,243800,2-Octyl benzoate,WARXKCSTKHDFFE-UHFFFAOYSA-N,Octan-2-yl benzoate,CCCCCCC(C)OC(=O)C1=CC=CC=C1,"InChI=1S/C15H22O2/c1-3-4-5-7-10-13(2)17-15(16)14-11-8-6-9-12-14/h6,8-9,11-13H,3-5,7,10H2,1-2H3",C15H22O2,234.1619799
2888,Diisopropyl adipate,6938-94-9,DTXSID5027641,23368,Diisopropyl adipate,ZDQWESQEGGJUCH-UHFFFAOYSA-N,Dipropan-2-yl hexanedioate,CC(C)OC(=O)CCCCC(=O)OC(C)C,"InChI=1S/C12H22O4/c1-9(2)15-11(13)7-5-6-8-12(14)16-10(3)4/h9-10H,5-8H2,1-4H3",C12H22O4,230.1518092
2889,"(3ar,7as)-hexahydro-2-benzofuran-1(3h)-one",6939-71-5,DTXSID10288796,245563,"(3ar,7as)-hexahydro-2-benzofuran-1(3h)-one",WLYUMBPDHPMKHM-BQBZGAKWSA-N,"(3aR,7aS)-Hexahydro-2-benzofuran-1(3H)-one",O=C1OC[C@@H]2CCCC[C@H]12,"InChI=1S/C8H12O2/c9-8-7-4-2-1-3-6(7)5-10-8/h6-7H,1-5H2/t6-,7-/m0/s1",C8H12O2,140.0837296
2890,2-Bromochlorobenzene,694-80-4,DTXSID30870758,12754,2-Bromochlorobenzene,QBELEDRHMPMKHP-UHFFFAOYSA-N,1-Bromo-2-chlorobenzene,ClC1=CC=CC=C1Br,InChI=1S/C6H4BrCl/c7-5-3-1-2-4-6(5)8/h1-4H,C6H4BrCl,189.918491
2891,"Bicyclo[4.2.0]octa-1,3,5-triene",694-87-1,DTXSID3073927,69667,Benzocyclobutene,UMIVXZPTRXBADB-UHFFFAOYSA-N,"Bicyclo[4.2.0]octa-1,3,5-triene",C1CC2=CC=CC=C12,"InChI=1S/C8H8/c1-2-4-8-6-5-7(8)3-1/h1-4H,5-6H2",C8H8,104.0626003
2892,"1-propanol, dl-2-benzylamino-,",6940-81-4,DTXSID50880758,138873,"1-propanol, dl-2-benzylamino-,",PJXWCRXOPLGFLX-UHFFFAOYSA-N,2-(Benzylamino)propan-1-ol,CC(CO)NCC1=CC=CC=C1,"InChI=1S/C10H15NO/c1-9(8-12)11-7-10-5-3-2-4-6-10/h2-6,9,11-12H,7-8H2,1H3",C10H15NO,165.1153641
2893,Diisopropyl azelate,6946-84-5,DTXSID10219626,81377,Diisopropyl azelate,MCQNUBHLBYBDRS-UHFFFAOYSA-N,Dipropan-2-yl nonanedioate,CC(C)OC(=O)CCCCCCCC(=O)OC(C)C,"InChI=1S/C15H28O4/c1-12(2)18-14(16)10-8-6-5-7-9-11-15(17)19-13(3)4/h12-13H,5-11H2,1-4H3",C15H28O4,272.1987594
2894,gamma-Caprolactone,695-06-7,DTXSID8041298,12756,gamma-Caprolactone,JBFHTYHTHYHCDJ-UHFFFAOYSA-N,5-Ethyloxolan-2-one,CCC1CCC(=O)O1,"InChI=1S/C6H10O2/c1-2-5-3-4-6(7)8-5/h5H,2-4H2,1H3",C6H10O2,114.0680796
2895,Vinylcyclohexane,695-12-5,DTXSID90219725,12757,Vinylcyclohexane,LDLDYFCCDKENPD-UHFFFAOYSA-N,Ethenylcyclohexane,C=CC1CCCCC1,"InChI=1S/C8H14/c1-2-8-6-4-3-5-7-8/h2,8H,1,3-7H2",C8H14,110.1095505
2896,"propanedinitrile, (1-methylethenyl)(phenylmethyl)-",69564-95-0,DTXSID50880657,561221,"propanedinitrile, (1-methylethenyl)(phenylmethyl)-",NNXWNEOPPKGQET-UHFFFAOYSA-N,Benzyl(prop-1-en-2-yl)propanedinitrile,CC(=C)C(CC1=CC=CC=C1)(C#N)C#N,"InChI=1S/C13H12N2/c1-11(2)13(9-14,10-15)8-12-6-4-3-5-7-12/h3-7H,1,8H2,2H3",C13H12N2,196.1000484
2897,"Cyclohexane, (1-methylethyl)-",696-29-7,DTXSID2061012,12763,"Cyclohexane, (1-methylethyl)-",GWESVXSMPKAFAS-UHFFFAOYSA-N,(Propan-2-yl)cyclohexane,CC(C)C1CCCCC1,"InChI=1S/C9H18/c1-8(2)9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3",C9H18,126.1408506
2898,"2-Bromo-4,6-dichloroaniline",697-86-9,DTXSID00373620,2756901,"2-Bromo-4,6-dichloroaniline",DTPADCOGQUOGHT-UHFFFAOYSA-N,"2-Bromo-4,6-dichloroaniline",NC1=C(Cl)C=C(Cl)C=C1Br,"InChI=1S/C6H4BrCl2N/c7-4-1-3(8)2-5(9)6(4)10/h1-2H,10H2",C6H4BrCl2N,238.890418
2899,17-pentatriacontene,6971-40-0,DTXSID00881250,5365022,17-pentatriacontene,BLCUZCCTSBVFSV-LAPDZXRHSA-N,(17E)-Pentatriacont-17-ene,CCCCCCCCCCCCCCCCC\C=C\CCCCCCCCCCCCCCCC,"InChI=1S/C35H70/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33,35H,3-32,34H2,1-2H3/b35-33+",C35H70,490.5477523
2900,cyclohexyl 2-chloroacetate,6975-91-3,DTXSID60281151,228008,cyclohexyl 2-chloroacetate,IBFHBLOKQVCABG-UHFFFAOYSA-N,Cyclohexyl chloroacetate,ClCC(=O)OC1CCCCC1,"InChI=1S/C8H13ClO2/c9-6-8(10)11-7-4-2-1-3-5-7/h7H,1-6H2",C8H13ClO2,176.0604074
2901,2-Methyldecane,6975-98-0,DTXSID2058677,23415,2-Methyldecane,CNPVJWYWYZMPDS-UHFFFAOYSA-N,2-Methyldecane,CCCCCCCCC(C)C,"InChI=1S/C11H24/c1-4-5-6-7-8-9-10-11(2)3/h11H,4-10H2,1-3H3",C11H24,156.1878008
2902,"N-[2-(3,5-Di-tert-butyl-4-hydroxyphenyl)ethyl]-5-{[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoyl]amino}pentanamide",69851-61-2,DTXSID7052442,112321,"N-[2-(3,5-Di-tert-butyl-4-hydroxyphenyl)ethyl]-5-{[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoyl]amino}pentanamide",KJEKRODBOPOEGG-UHFFFAOYSA-N,"N,N'-(Propane-1,3-diyl)bis[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanamide]",CC(C)(C)C1=CC(CCC(=O)NCCCNC(=O)CCC2=CC(=C(O)C(=C2)C(C)(C)C)C(C)(C)C)=CC(=C1O)C(C)(C)C,"InChI=1S/C37H58N2O4/c1-34(2,3)26-20-24(21-27(32(26)42)35(4,5)6)14-16-30(40)38-18-13-19-39-31(41)17-15-25-22-28(36(7,8)9)33(43)29(23-25)37(10,11)12/h20-23,42-43H,13-19H2,1-12H3,(H,38,40)(H,39,41)",C37H58N2O4,594.4396584
2903,"Disulfide, methyl phenylmethyl",699-10-5,DTXSID1061021,12779,"Disulfide, methyl phenylmethyl",NWYGPVZOBBHKLI-UHFFFAOYSA-N,[(Methyldisulfanyl)methyl]benzene,CSSCC1=CC=CC=C1,"InChI=1S/C8H10S2/c1-9-10-7-8-5-3-2-4-6-8/h2-6H,7H2,1H3",C8H10S2,170.0223927
2904,2-Phenylmercaptoethanol,699-12-7,DTXSID1046974,69685,2-Phenylmercaptoethanol,KWWZHCSQVRVQGF-UHFFFAOYSA-N,2-(Phenylsulfanyl)ethan-1-ol,OCCSC1=CC=CC=C1,"InChI=1S/C8H10OS/c9-6-7-10-8-4-2-1-3-5-8/h1-5,9H,6-7H2",C8H10OS,154.0452361
2905,1-Oxaspiro[4.5]decan-2-one,699-61-6,DTXSID2052445,12783,1-Oxaspiro[4.5]decan-2-one,QYNYVJFXPJUEMW-UHFFFAOYSA-N,1-Oxaspiro[4.5]decan-2-one,O=C1CCC2(CCCCC2)O1,InChI=1S/C9H14O2/c10-8-4-7-9(11-8)5-2-1-3-6-9/h1-7H2,C9H14O2,154.0993797
2906,4-Toluenesulfonamide,70-55-3,DTXSID8029105,6269,4-Toluenesulfonamide,LMYRWZFENFIFIT-UHFFFAOYSA-N,4-Methylbenzene-1-sulfonamide,CC1=CC=C(C=C1)S(N)(=O)=O,"InChI=1S/C7H9NO2S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3,(H2,8,9,10)",C7H9NO2S,171.0353997
2907,"Benzene, pentamethyl-",700-12-9,DTXSID6061024,12784,"Benzene, pentamethyl-",BEZDDPMMPIDMGJ-UHFFFAOYSA-N,"1,2,3,4,5-Pentamethylbenzene",CC1=CC(C)=C(C)C(C)=C1C,"InChI=1S/C11H16/c1-7-6-8(2)10(4)11(5)9(7)3/h6H,1-5H3",C11H16,148.1252005
2908,"2,3,5-Trimethylhydroquinone",700-13-0,DTXSID7052446,12785,"2,3,5-Trimethylhydroquinone",AUFZRCJENRSRLY-UHFFFAOYSA-N,"2,3,5-Trimethylbenzene-1,4-diol",CC1=C(O)C(C)=C(C)C(O)=C1,"InChI=1S/C9H12O2/c1-5-4-8(10)6(2)7(3)9(5)11/h4,10-11H,1-3H3",C9H12O2,152.0837296
2909,Hexahydrocoumarin,700-82-3,DTXSID80220269,69694,Hexahydrocoumarin,ODFRBYOJLDRSKF-UHFFFAOYSA-N,"3,4,5,6,7,8-Hexahydro-2H-1-benzopyran-2-one",O=C1CCC2=C(CCCC2)O1,InChI=1S/C9H12O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H2,C9H12O2,152.0837296
2910,"Benzene, 1-isocyanato-2-methoxy-",700-87-8,DTXSID1061025,69695,"Benzene, 1-isocyanato-2-methoxy-",SUVCZZADQDCIEQ-UHFFFAOYSA-N,1-Isocyanato-2-methoxybenzene,COC1=C(C=CC=C1)N=C=O,"InChI=1S/C8H7NO2/c1-11-8-5-3-2-4-7(8)9-6-10/h2-5H,1H3",C8H7NO2,149.0476785
2911,Verticillol (7CI),70000-19-0,,15119671,Verticillol (7CI),CQWSCMMFUZYKBO-CXFBFUJHSA-N,"(1R,3E,7E,11R,12R)-4,8,12,15,15-pentamethylbicyclo[9.3.1]pentadeca-3,7-dien-12-ol",OC1(C)CCC2CC=C(C)CCC=C(C)CCC1C2(C)C,"InChI=1S/C20H34O/c1-15-7-6-8-16(2)10-12-18-19(3,4)17(11-9-15)13-14-20(18,5)21/h8-9,17-18,21H,6-7,10-14H2,1-5H3",C20H34O,290.261
2912,"2,4,4'-Trichlorobiphenyl",7012-37-5,DTXSID2038310,23448,"2,4,4'-Trichlorobiphenyl",BZTYNSQSZHARAZ-UHFFFAOYSA-N,"2,4,4'-Trichloro-1,1'-biphenyl",ClC1=CC=C(C=C1)C1=C(Cl)C=C(Cl)C=C1,InChI=1S/C12H7Cl3/c13-9-3-1-8(2-4-9)11-6-5-10(14)7-12(11)15/h1-7H,C12H7Cl3,255.9613333
2913,"1,3-Dimethyladamantane",702-79-4,DTXSID1049439,12800,"1,3-Dimethyladamantane",CWNOIUTVJRWADX-UHFFFAOYSA-N,"1,3-Dimethyladamantane",CC12CC3CC(C1)CC(C)(C3)C2,"InChI=1S/C12H20/c1-11-4-9-3-10(5-11)7-12(2,6-9)8-11/h9-10H,3-8H2,1-2H3",C12H20,164.1565006
2914,"Stereoisomer of tricyclo[4.2.1.12,5]dec-3-en-9-ol (ACI)",70220-93-8,,548725,"Stereoisomer of tricyclo[4.2.1.12,5]dec-3-en-9-ol (ACI)",WORZCCQYOYQTEW-UHFFFAOYSA-N,"tricyclo[4.2.1.12,5]dec-3-en-9-ol",OC1C2CCC1C3C=CC2C3,"InChI=1S/C10H14O/c11-10-8-3-4-9(10)7-2-1-6(8)5-7/h1-2,6-11H,3-5H2",C10H14O,150.104
2915,"Benzene, bromophenoxy-",7025-06-1,DTXSID7073486,37483,1-Bromo-2-phenoxybenzene,RRWFUWRLNIZICP-UHFFFAOYSA-N,1-Bromo-2-phenoxybenzene,BrC1=C(OC2=CC=CC=C2)C=CC=C1,InChI=1S/C12H9BrO/c13-11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h1-9H,C12H9BrO,247.983678
2916,"2-(2H-Benzotriazol-2-yl)-4,6-bis(1-methyl-1-phenylethyl)phenol",70321-86-7,DTXSID2028985,112412,"2-(2H-Benzotriazol-2-yl)-4,6-bis(1-methyl-1-phenylethyl)phenol",OLFNXLXEGXRUOI-UHFFFAOYSA-N,"2-(2H-Benzotriazol-2-yl)-4,6-bis(2-phenylpropan-2-yl)phenol",CC(C)(C1=CC=CC=C1)C1=CC(N2N=C3C=CC=CC3=N2)=C(O)C(=C1)C(C)(C)C1=CC=CC=C1,"InChI=1S/C30H29N3O/c1-29(2,21-13-7-5-8-14-21)23-19-24(30(3,4)22-15-9-6-10-16-22)28(34)27(20-23)33-31-25-17-11-12-18-26(25)32-33/h5-20,34H,1-4H3",C30H29N3O,447.2310626
2917,"2,2'-Oxamidodiethyl bis[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate]",70331-94-1,DTXSID1052450,93405,"2,2'-Oxamidodiethyl bis[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate]",OXWDLAHVJDUQJM-UHFFFAOYSA-N,"[(1,2-Dioxoethane-1,2-diyl)bis(azanediyl)ethane-2,1-diyl] bis[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoate]",CC(C)(C)C1=CC(CCC(=O)OCCNC(=O)C(=O)NCCOC(=O)CCC2=CC(=C(O)C(=C2)C(C)(C)C)C(C)(C)C)=CC(=C1O)C(C)(C)C,"InChI=1S/C40H60N2O8/c1-37(2,3)27-21-25(22-28(33(27)45)38(4,5)6)13-15-31(43)49-19-17-41-35(47)36(48)42-18-20-50-32(44)16-14-26-23-29(39(7,8)9)34(46)30(24-26)40(10,11)12/h21-24,45-46H,13-20H2,1-12H3,(H,41,47)(H,42,48)",C40H60N2O8,696.4349669
2918,"1-(4-tert-Butylphenyl)-3-(4-methoxyphenyl)propane-1,3-dione",70356-09-1,DTXSID9044829,51040,"1-(4-tert-Butylphenyl)-3-(4-methoxyphenyl)propane-1,3-dione",XNEFYCZVKIDDMS-UHFFFAOYSA-N,"1-(4-tert-Butylphenyl)-3-(4-methoxyphenyl)propane-1,3-dione",COC1=CC=C(C=C1)C(=O)CC(=O)C1=CC=C(C=C1)C(C)(C)C,"InChI=1S/C20H22O3/c1-20(2,3)16-9-5-14(6-10-16)18(21)13-19(22)15-7-11-17(23-4)12-8-15/h5-12H,13H2,1-4H3",C20H22O3,310.1568946
2919,"benzene, 1,1'-(1-butene-1,4-diyl)bis-, (z)-",70388-65-7,DTXSID10880633,5352806,"benzene, 1,1'-(1-butene-1,4-diyl)bis-, (z)-",NJJOGKAVAWZLAU-QPEQYQDCSA-N,"1,1'-[(1Z)-But-1-ene-1,4-diyl]dibenzene",C(CC1=CC=CC=C1)\C=C/C1=CC=CC=C1,"InChI=1S/C16H16/c1-3-9-15(10-4-1)13-7-8-14-16-11-5-2-6-12-16/h1-7,9-13H,8,14H2/b13-7-",C16H16,208.1252005
2920,"cyclohexane, 2-ethyl-1,3-dimethyl-",7045-67-2,DTXSID50880793,549957,"cyclohexane, 2-ethyl-1,3-dimethyl-",QZUJWESVOYGMQY-UHFFFAOYSA-N,"2-Ethyl-1,3-dimethylcyclohexane",CCC1C(C)CCCC1C,"InChI=1S/C10H20/c1-4-10-8(2)6-5-7-9(10)3/h8-10H,4-7H2,1-3H3",C10H20,140.1565006
2921,2-Methylundecane,7045-71-8,DTXSID50873241,23459,2-Methylundecane,GTJOHISYCKPIMT-UHFFFAOYSA-N,2-Methylundecane,CCCCCCCCCC(C)C,"InChI=1S/C12H26/c1-4-5-6-7-8-9-10-11-12(2)3/h12H,4-11H2,1-3H3",C12H26,170.2034508
2922,N-(2-Hydroxydodecyl)-N-(2-hydroxyethyl)-beta-alanine,70521-70-9,DTXSID10990721,44145805,N-(2-Hydroxydodecyl)-N-(2-hydroxyethyl)-beta-alanine,OKVWJOUKDKKXQG-UHFFFAOYSA-N,N-(2-Hydroxydodecyl)-N-(2-hydroxyethyl)-beta-alanine,CCCCCCCCCCC(O)CN(CCO)CCC(O)=O,"InChI=1S/C17H35NO4/c1-2-3-4-5-6-7-8-9-10-16(20)15-18(13-14-19)12-11-17(21)22/h16,19-20H,2-15H2,1H3,(H,21,22)",C17H35NO4,317.2566086
2923,sec-Butylcyclohexane,7058-01-7,DTXSID00871939,23468,sec-Butylcyclohexane,QTYARKOMFKRPSY-UHFFFAOYSA-N,(Butan-2-yl)cyclohexane,CCC(C)C1CCCCC1,"InChI=1S/C10H20/c1-3-9(2)10-7-5-4-6-8-10/h9-10H,3-8H2,1-2H3",C10H20,140.1565006
2924,gamma-Decanolactone,706-14-9,DTXSID4022109,12813,gamma-Decanolactone,IFYYFLINQYPWGJ-UHFFFAOYSA-N,5-Hexyloxolan-2-one,CCCCCCC1CCC(=O)O1,"InChI=1S/C10H18O2/c1-2-3-4-5-6-9-7-8-10(11)12-9/h9H,2-8H2,1H3",C10H18O2,170.1306798
2925,"1,2,3,4,7,8-Hexachlorodibenzofuran",70648-26-9,DTXSID6029915,51130,"1,2,3,4,7,8-Hexachlorodibenzofuran",LVYBAQIVPKCOEE-UHFFFAOYSA-N,"1,2,3,4,7,8-Hexachlorodibenzo[b,d]furan",ClC1=CC2=C(C=C1Cl)C1=C(O2)C(Cl)=C(Cl)C(Cl)=C1Cl,InChI=1S/C12H2Cl6O/c13-4-1-3-6(2-5(4)14)19-12-7(3)8(15)9(16)10(17)11(12)18/h1-2H,C12H2Cl6O,371.8236809
2926,"1-Tetradecanol, 1-benzoate",70682-72-3,DTXSID70887542,64671,"1-Tetradecanol, 1-benzoate",YQOBYINWABKLFC-UHFFFAOYSA-N,Tetradecyl benzoate,CCCCCCCCCCCCCCOC(=O)C1=CC=CC=C1,"InChI=1S/C21H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-16-19-23-21(22)20-17-14-13-15-18-20/h13-15,17-18H,2-12,16,19H2,1H3",C21H34O2,318.2558803
2927,(9Z)-N-Methyl-9-octadecenamide,70858-46-7,DTXSID401305875,20836181,(9Z)-N-Methyl-9-octadecenamide,NJNFUPWMCKHLRE-KHPPLWFESA-N,(9Z)-N-Methyloctadec-9-enamide,CCCCCCCC\C=C/CCCCCCCC(=O)NC,"InChI=1S/C19H37NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(21)20-2/h10-11H,3-9,12-18H2,1-2H3,(H,20,21)/b11-10-",C19H37NO,295.2875148
2928,"2-Propanamine, N-ethyl-N-(1-methylethyl)-",7087-68-5,DTXSID8064561,81531,"2-Propanamine, N-ethyl-N-(1-methylethyl)-",JGFZNNIVVJXRND-UHFFFAOYSA-N,N-Ethyl-N-(propan-2-yl)propan-2-amine,CCN(C(C)C)C(C)C,"InChI=1S/C8H19N/c1-6-9(7(2)3)8(4)5/h7-8H,6H2,1-5H3",C8H19N,129.1517496
2929,"N-(3,4-Dichlorophenyl)propanamide",709-98-8,DTXSID8022111,4933,"N-(3,4-Dichlorophenyl)propanamide",LFULEKSKNZEWOE-UHFFFAOYSA-N,"N-(3,4-Dichlorophenyl)propanamide",CCC(=O)NC1=CC=C(Cl)C(Cl)=C1,"InChI=1S/C9H9Cl2NO/c1-2-9(13)12-6-3-4-7(10)8(11)5-6/h3-5H,2H2,1H3,(H,12,13)",C9H9Cl2NO,217.0061193
2930,Di-n-2-propylpentylphthalate,70910-37-1,DTXSID90221141,191964,Di-n-2-propylpentylphthalate,KIYUVQCUDDMZRE-UHFFFAOYSA-N,"Bis(2-propylpentyl) benzene-1,2-dicarboxylate",CCCC(CCC)COC(=O)C1=CC=CC=C1C(=O)OCC(CCC)CCC,"InChI=1S/C24H38O4/c1-5-11-19(12-6-2)17-27-23(25)21-15-9-10-16-22(21)24(26)28-18-20(13-7-3)14-8-4/h9-10,15-16,19-20H,5-8,11-14,17-18H2,1-4H3",C24H38O4,390.2770097
2931,"Amines, C13-15-alkyl, ethoxylated",70955-14-5,DTXSID901022583,,"Amines, C13-15-alkyl, ethoxylated",,,,,,
2932,Tetratetracontane,7098-22-8,DTXSID5058640,23494,Tetratetracontane,KMXFZRSJMDYPPG-UHFFFAOYSA-N,Tetratetracontane,CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C44H90/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-44H2,1-2H3",C44H90,618.7042529
2933,"Ethanone, 1-(1,2,3-trimethyl-2-cyclopenten-1-yl)-",70987-81-4,DTXSID80341423,572955,"Ethanone, 1-(1,2,3-trimethyl-2-cyclopenten-1-yl)-",GADXMBFTJVBEIN-UHFFFAOYSA-N,"1-(1,2,3-Trimethylcyclopent-2-en-1-yl)ethan-1-one",CC(=O)C1(C)CCC(C)=C1C,"InChI=1S/C10H16O/c1-7-5-6-10(4,8(7)2)9(3)11/h5-6H2,1-4H3",C10H16O,152.1201151
2934,1-Butanol,71-36-3,DTXSID1021740,263,1-Butanol,LRHPLDYGYMQRHN-UHFFFAOYSA-N,Butan-1-ol,CCCCO,"InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3",C4H10O,74.07316494
2935,1-Pentanol,71-41-0,DTXSID6021741,6276,1-Pentanol,AMQJEAYHLZJPGS-UHFFFAOYSA-N,Pentan-1-ol,CCCCCO,"InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3",C5H12O,88.08881501
2936,Benzene,71-43-2,DTXSID3039242,241,Benzene,UHOVQNZJYSORNB-UHFFFAOYSA-N,Benzene,C1=CC=CC=C1,InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H,C6H6,78.04695019
2937,"1,1,1-Trichloroethane",71-55-6,DTXSID0021381,6278,"1,1,1-Trichloroethane",UOCLXMDMGBRAIB-UHFFFAOYSA-N,"1,1,1-Trichloroethane",CC(Cl)(Cl)Cl,"InChI=1S/C2H3Cl3/c1-2(3,4)5/h1H3",C2H3Cl3,131.9300332
2938,"1,3,4,8a-Tetrahydro-1,1,5,5-tetramethyl-2H-2,4a-methanonaphthalen-6(5H)-one (ACI)",710336-76-8,,600322,"1,3,4,8a-Tetrahydro-1,1,5,5-tetramethyl-2H-2,4a-methanonaphthalen-6(5H)-one (ACI)",RKGKLJHVQKIFJZ-UHFFFAOYSA-N,"2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undec-4-en-3-one",O=C1C=CC2C(C)(C)C3CCC2(C3)C1(C)C,"InChI=1S/C15H22O/c1-13(2)10-7-8-15(9-10)11(13)5-6-12(16)14(15,3)4/h5-6,10-11H,7-9H2,1-4H3",C15H22O,218.167
2939,"octanamide, n-(2-hydroxyethyl)-",7112-02-9,DTXSID80867815,559169,"octanamide, n-(2-hydroxyethyl)-",GSILMNFJLONLCJ-UHFFFAOYSA-N,N-(2-Hydroxyethyl)octanamide,CCCCCCCC(=O)NCCO,"InChI=1S/C10H21NO2/c1-2-3-4-5-6-7-10(13)11-8-9-12/h12H,2-9H2,1H3,(H,11,13)",C10H21NO2,187.1572289
2940,"Methane, dichloronitro-",7119-89-3,DTXSID30221387,165571,"Methane, dichloronitro-",XUNYLLBGLKGFHO-UHFFFAOYSA-N,Dichloro(nitro)methane,[O-][N+](=O)C(Cl)Cl,InChI=1S/CHCl2NO2/c2-1(3)4(5)6/h1H,CHCl2NO2,128.9384337
2941,Cyclohexylphenylketone,712-50-5,DTXSID5048182,12837,Cyclohexylphenylketone,BMFYCFSWWDXEPB-UHFFFAOYSA-N,Cyclohexyl(phenyl)methanone,O=C(C1CCCCC1)C1=CC=CC=C1,"InChI=1S/C13H16O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1,3-4,7-8,12H,2,5-6,9-10H2",C13H16O,188.1201151
2942,"5,6,7,8,9,10,11,12,13,14-Decahydrobenzocyclododecene",7125-10-2,DTXSID10881266,570572,"5,6,7,8,9,10,11,12,13,14-Decahydrobenzocyclododecene",XUUSUEJGOWEHBD-UHFFFAOYSA-N,"5,6,7,8,9,10,11,12,13,14-Decahydrobenzo[12]annulene",C1CCCCCC2=C(CCCC1)C=CC=C2,"InChI=1S/C16H24/c1-2-4-6-8-12-16-14-10-9-13-15(16)11-7-5-3-1/h9-10,13-14H,1-8,11-12H2",C16H24,216.1878008
2943,"2,2'-(2,5-Thiophenediyl)bis[5-(1,1-dimethylethyl)benzoxazole]",7128-64-5,DTXSID1048205,292429,"2,2'-(2,5-Thiophenediyl)bis[5-(1,1-dimethylethyl)benzoxazole]",AIXZBGVLNVRQSS-UHFFFAOYSA-N,"2,2'-(Thiophene-2,5-diyl)bis(5-tert-butyl-1,3-benzoxazole)",CC(C)(C)C1=CC2=C(OC(=N2)C2=CC=C(S2)C2=NC3=C(O2)C=CC(=C3)C(C)(C)C)C=C1,"InChI=1S/C26H26N2O2S/c1-25(2,3)15-7-9-19-17(13-15)27-23(29-19)21-11-12-22(31-21)24-28-18-14-16(26(4,5)6)8-10-20(18)30-24/h7-14H,1-6H3",C26H26N2O2S,430.1714993
2944,2-(4-tert-Butylphenoxy)ethanol,713-46-2,DTXSID80867577,12841,2-(4-tert-Butylphenoxy)ethanol,KGPFHDDLZCYWAO-UHFFFAOYSA-N,2-(4-tert-Butylphenoxy)ethan-1-ol,CC(C)(C)C1=CC=C(OCCO)C=C1,"InChI=1S/C12H18O2/c1-12(2,3)10-4-6-11(7-5-10)14-9-8-13/h4-7,13H,8-9H2,1-3H3",C12H18O2,194.1306798
2945,Methyl pentadecanoate,7132-64-1,DTXSID4040769,23518,Methyl pentadecanoate,XIUXKAZJZFLLDQ-UHFFFAOYSA-N,Methyl pentadecanoate,CCCCCCCCCCCCCCC(=O)OC,"InChI=1S/C16H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18-2/h3-15H2,1-2H3",C16H32O2,256.2402303
2946,Cyclopentyl-1-thiaethane,7133-36-0,DTXSID10221522,138938,Cyclopentyl-1-thiaethane,OTQVGYMGQKHLMY-UHFFFAOYSA-N,(Methylsulfanyl)cyclopentane,CSC1CCCC1,"InChI=1S/C6H12S/c1-7-6-4-2-3-5-6/h6H,2-5H2,1H3",C6H12S,116.0659716
2947,9-Hexacosene,71502-22-2,DTXSID30873264,522412,9-Hexacosene,HGTCGIXAQAYYBS-UHFFFAOYSA-N,Hexacos-9-ene,CCCCCCCCCCCCCCCCC=CCCCCCCCC,"InChI=1S/C26H52/c1-3-5-7-9-11-13-15-17-19-21-23-25-26-24-22-20-18-16-14-12-10-8-6-4-2/h17,19H,3-16,18,20-26H2,1-2H3",C26H52,364.4069017
2948,"2,2,3,3-Tetramethylpentane",7154-79-2,DTXSID60221779,92723,"2,2,3,3-Tetramethylpentane",QUKOJKFJIHSBKV-UHFFFAOYSA-N,"2,2,3,3-Tetramethylpentane",CCC(C)(C)C(C)(C)C,"InChI=1S/C9H20/c1-7-9(5,6)8(2,3)4/h7H2,1-6H3",C9H20,128.1565006
2949,Heptyl benzoate,7155-12-6,DTXSID60221794,81591,Heptyl benzoate,UMFTYCUYCNMERS-UHFFFAOYSA-N,Heptyl benzoate,CCCCCCCOC(=O)C1=CC=CC=C1,"InChI=1S/C14H20O2/c1-2-3-4-5-9-12-16-14(15)13-10-7-6-8-11-13/h6-8,10-11H,2-5,9,12H2,1H3",C14H20O2,220.1463299
2950,2-Phenylethyl 4-pyridinecarboxylate (ACI),71653-45-7,,533060,2-Phenylethyl 4-pyridinecarboxylate (ACI),TWVFPHQINDOCCO-UHFFFAOYSA-N,2-phenylethyl pyridine-4-carboxylate,O=C(OCCC=1C=CC=CC1)C=2C=CN=CC2,"InChI=1S/C14H13NO2/c16-14(13-6-9-15-10-7-13)17-11-8-12-4-2-1-3-5-12/h1-7,9-10H,8,11H2",C14H13NO2,227.095
2951,1-MORPHOLINO-1-CYCLOHEPTENE,7182-08-3,DTXSID20308398,306092,1-MORPHOLINO-1-CYCLOHEPTENE,HLVQJUUPEMTTIS-UHFFFAOYSA-N,4-(Cyclohept-1-en-1-yl)morpholine,C1CN(CCO1)C1=CCCCCC1,"InChI=1S/C11H19NO/c1-2-4-6-11(5-3-1)12-7-9-13-10-8-12/h5H,1-4,6-10H2",C11H19NO,181.1466642
2952,Diisohexyl phthalate,71850-09-4,DTXSID401016727,,Diisohexyl phthalate,,,,,,
2953,2-Methyl-4'-(methylthio)-2-morpholinopropiophenone,71868-10-5,DTXSID8038857,92387,2-Methyl-4'-(methylthio)-2-morpholinopropiophenone,LWRBVKNFOYUCNP-UHFFFAOYSA-N,2-Methyl-1-[4-(methylsulfanyl)phenyl]-2-(morpholin-4-yl)propan-1-one,CSC1=CC=C(C=C1)C(=O)C(C)(C)N1CCOCC1,"InChI=1S/C15H21NO2S/c1-15(2,16-8-10-18-11-9-16)14(17)12-4-6-13(19-3)7-5-12/h4-7H,8-11H2,1-3H3",C15H21NO2S,279.1293001
2954,Chimassorb 944,71878-19-8,DTXSID8044258,,Chimassorb 944,,,,,,
2955,"1,2-Benzenedicarboxylic acid, di-C6-8-branched alkyl esters, C7-rich",71888-89-6,DTXSID9029017,,"1,2-Benzenedicarboxylic acid, di-C6-8-branched alkyl esters, C7-rich",,,,,,
2956,5-Hexadecyne,71899-37-1,DTXSID20339566,557015,5-Hexadecyne,QMIJSVFNLQOMAY-UHFFFAOYSA-N,Hexadec-5-yne,CCCCCCCCCCC#CCCCC,"InChI=1S/C16H30/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-9,11,13-16H2,1-2H3",C16H30,222.234751
2957,"2,6-Bis-(1,1-dimethylethyl)-2,5-cyclohexadiene-1,4-dione",719-22-2,DTXSID7021493,12867,"2,6-Bis-(1,1-dimethylethyl)-2,5-cyclohexadiene-1,4-dione",RDQSIADLBQFVMY-UHFFFAOYSA-N,"2,6-Di-tert-butylcyclohexa-2,5-diene-1,4-dione",CC(C)(C)C1=CC(=O)C=C(C1=O)C(C)(C)C,"InChI=1S/C14H20O2/c1-13(2,3)10-7-9(15)8-11(12(10)16)14(4,5)6/h7-8H,1-6H3",C14H20O2,220.1463299
2958,"1,1-Diphenylbutane",719-79-9,DTXSID3061053,69753,"1,1-Diphenylbutane",SZFDQMKAGLCYPA-UHFFFAOYSA-N,"1,1'-(Butane-1,1-diyl)dibenzene",CCCC(C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C16H18/c1-2-9-16(14-10-5-3-6-11-14)15-12-7-4-8-13-15/h3-8,10-13,16H,2,9H2,1H3",C16H18,210.1408506
2959,Endrin,72-20-8,DTXSID6020561,,Endrin,DFBKLUNHFCTMDC-GKRDHZSONA-N,"rel-(1aR,2R,2aR,6S,6aS,7S,7aS)-3,4,5,6,9,9-Hexachloro-1a,2,2a,3,6,6a,7,7a-octahydro-2,7:3,6-dimethanonaphtho[2,3-b]oxirene",[H][C@]12O[C@@]1([H])[C@@]1([H])C[C@]2([H])[C@]2([H])[C@@]1([H])[C@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl,"InChI=1S/C12H8Cl6O/c13-8-9(14)11(16)5-3-1-2(6-7(3)19-6)4(5)10(8,15)12(11,17)18/h2-7H,1H2/t2-,3+,4-,5+,6-,7+,10-,11+",C12H8Cl6O,377.8706311
2960,"p,p'-DDD",72-54-8,DTXSID4020373,6294,"p,p'-DDD",AHJKRLASYNVKDZ-UHFFFAOYSA-N,"1,1'-(2,2-Dichloroethane-1,1-diyl)bis(4-chlorobenzene)",ClC(Cl)C(C1=CC=C(Cl)C=C1)C1=CC=C(Cl)C=C1,"InChI=1S/C14H10Cl4/c15-11-5-1-9(2-6-11)13(14(17)18)10-3-7-12(16)8-4-10/h1-8,13-14H",C14H10Cl4,317.9536611
2961,"p,p'-DDE",72-55-9,DTXSID9020374,3035,"p,p'-DDE",UCNVFOCBFJOQAL-UHFFFAOYSA-N,"1,1'-(2,2-Dichloroethene-1,1-diyl)bis(4-chlorobenzene)",ClC(Cl)=C(C1=CC=C(Cl)C=C1)C1=CC=C(Cl)C=C1,InChI=1S/C14H8Cl4/c15-11-5-1-9(2-6-11)13(14(17)18)10-3-7-12(16)8-4-10/h1-8H,C14H8Cl4,315.9380111
2962,"5-octadecene, (e)-",7206-21-5,DTXSID70880871,5364598,"5-octadecene, (e)-",YIYQJOMDMPTKEL-PKNBQFBNSA-N,(5E)-Octadec-5-ene,CCCCCCCCCCCC\C=C\CCCC,"InChI=1S/C18H36/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h9,11H,3-8,10,12-18H2,1-2H3/b11-9+",C18H36,252.2817012
2963,(9E)-9-Octadecene,7206-25-9,DTXSID10880855,5364599,(9E)-9-Octadecene,HSNQNPCNYIJJHT-ISLYRVAYSA-N,(9E)-Octadec-9-ene,CCCCCCCC\C=C\CCCCCCCC,"InChI=1S/C18H36/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h17-18H,3-16H2,1-2H3/b18-17+",C18H36,252.2817012
2964,(Z)-5-dodecene,7206-28-2,DTXSID50880930,5364658,(Z)-5-dodecene,ZOKYTRIEIDWYSG-LUAWRHEFSA-N,(5Z)-Dodec-5-ene,CCCCCC\C=C/CCCC,"InChI=1S/C12H24/c1-3-5-7-9-11-12-10-8-6-4-2/h9,11H,3-8,10,12H2,1-2H3/b11-9-",C12H24,168.1878008
2965,"2-cyclohexen-1-ol, 1-methyl-4-(1-methylethenyl)-, trans-",7212-40-0,DTXSID10880638,12618691,"2-cyclohexen-1-ol, 1-methyl-4-(1-methylethenyl)-, trans-",MKPMHJQMNACGDI-NXEZZACHSA-N,"(1S,4S)-1-Methyl-4-(prop-1-en-2-yl)cyclohex-2-en-1-ol",CC(=C)[C@H]1CC[C@](C)(O)C=C1,"InChI=1S/C10H16O/c1-8(2)9-4-6-10(3,11)7-5-9/h4,6,9,11H,1,5,7H2,2-3H3/t9-,10-/m1/s1",C10H16O,152.1201151
2966,"Trimethylsilyl (8?,12?)-9-(methoxyimino)-11,15-bis[(trimethylsilyl)oxy]prost-13-en-1-oate (ACI)",72150-30-2,,,"Trimethylsilyl (8?,12?)-9-(methoxyimino)-11,15-bis[(trimethylsilyl)oxy]prost-13-en-1-oate (ACI)",NYKPCVVFAUFKOP-UHFFFAOYNA-N,,O=C(O[Si](C)(C)C)CCCCCCC1C(=NOC)CC(O[Si](C)(C)C)C1C=CC(O[Si](C)(C)C)CCCCC,"InChI=1S/C30H61NO5Si3/c1-12-13-16-19-25(34-37(3,4)5)22-23-27-26(28(31-33-2)24-29(27)35-38(6,7)8)20-17-14-15-18-21-30(32)36-39(9,10)11/h22-23,25-27,29H,12-21,24H2,1-11H3",,
2967,"2,3-Dihydro-1H-cyclopenta[l]phenanthrene (ACI)",723-98-8,,612812,"2,3-Dihydro-1H-cyclopenta[l]phenanthrene (ACI)",ZIROVSQCCNAPOI-UHFFFAOYSA-N,"2,3-dihydro-1H-cyclopenta[l]phenanthrene",C=1C=CC2=C(C1)C=3C=CC=CC3C4=C2CCC4,"InChI=1S/C17H14/c1-3-8-14-12(6-1)13-7-2-4-9-15(13)17-11-5-10-16(14)17/h1-4,6-9H,5,10-11H2",C17H14,218.11
2968,(Z)-3-dodecene,7239-23-8,DTXSID70880851,5364450,(Z)-3-dodecene,WLTSXAIICPDFKI-ALCCZGGFSA-N,(3Z)-Dodec-3-ene,CCCCCCCC\C=C/CC,"InChI=1S/C12H24/c1-3-5-7-9-11-12-10-8-6-4-2/h5,7H,3-4,6,8-12H2,1-2H3/b7-5-",C12H24,168.1878008
2969,Methyl isopentyl disulfide,72437-56-0,DTXSID30222733,534377,Methyl isopentyl disulfide,XTTOMWDBKHINLK-UHFFFAOYSA-N,3-Methyl-1-(methyldisulfanyl)butane,CSSCCC(C)C,"InChI=1S/C6H14S2/c1-6(2)4-5-8-7-3/h6H,4-5H2,1-3H3",C6H14S2,150.0536928
2970,Amyl methyl disulfide,72437-68-4,DTXSID50222735,522459,Amyl methyl disulfide,VDJXDNLYBDHPHP-UHFFFAOYSA-N,1-(Methyldisulfanyl)pentane,CCCCCSSC,"InChI=1S/C6H14S2/c1-3-4-5-6-8-7-2/h3-6H2,1-2H3",C6H14S2,150.0536928
2971,"(2Z,6Z,10Z,14Z,18Z,22Z,26Z,30Z,34E,38E,42E)-3,7,11,15,19,23,27,31,35,39,43,47-Dodecamethyl-2,6,10,14,18,22,26,30,34,38,42,46-octatetracontadodecaen-1-ol (ACI)",72690-19-8,,14380582,"(2Z,6Z,10Z,14Z,18Z,22Z,26Z,30Z,34E,38E,42E)-3,7,11,15,19,23,27,31,35,39,43,47-Dodecamethyl-2,6,10,14,18,22,26,30,34,38,42,46-octatetracontadodecaen-1-ol (ACI)",BDMCAOBQLHJGBE-CTPVASEHSA-N,"(2Z,6Z,10Z,14Z,18Z,22Z,26Z,30Z,34E,38E,42E)-3,7,11,15,19,23,27,31,35,39,43,47-dodecamethyloctatetraconta-2,6,10,14,18,22,26,30,34,38,42,46-dodecaen-1-ol",OCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C,"InChI=1S/C60H98O/c1-49(2)25-14-26-50(3)27-15-28-51(4)29-16-30-52(5)31-17-32-53(6)33-18-34-54(7)35-19-36-55(8)37-20-38-56(9)39-21-40-57(10)41-22-42-58(11)43-23-44-59(12)45-24-46-60(13)47-48-61/h25,27,29,31,33,35,37,39,41,43,45,47,61H,14-24,26,28,30,32,34,36,38,40,42,44,46,48H2,1-13H3",C60H98O,834.762
2972,"Bis(6-methylheptyl) 2,2'-propane-1,2-diyl dibenzene-1,2-dicarboxylate",72845-50-2,DTXSID60993641,73556766,"Bis(6-methylheptyl) 2,2'-propane-1,2-diyl dibenzene-1,2-dicarboxylate",JRKKJXNVFVKEIH-UHFFFAOYSA-N,"Bis(6-methylheptyl) 2,2'-propane-1,2-diyl dibenzene-1,2-dicarboxylate",CC(C)CCCCCOC(=O)C1=CC=CC=C1C(=O)OCC(C)OC(=O)C1=CC=CC=C1C(=O)OCCCCCC(C)C,"InChI=1S/C35H48O8/c1-25(2)16-8-6-14-22-40-32(36)28-18-10-11-19-29(28)34(38)42-24-27(5)43-35(39)31-21-13-12-20-30(31)33(37)41-23-15-7-9-17-26(3)4/h10-13,18-21,25-27H,6-9,14-17,22-24H2,1-5H3",C35H48O8,596.3349185
2973,1-Phenylethanone 2-(1-phenylethylidene)hydrazone,729-43-1,DTXSID301235683,95250,1-Phenylethanone 2-(1-phenylethylidene)hydrazone,MOKMQSIJAHPSQX-UHFFFAOYSA-N,Bis(1-phenylethylidene)hydrazine,CC(=NN=C(C)C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C16H16N2/c1-13(15-9-5-3-6-10-15)17-18-14(2)16-11-7-4-8-12-16/h3-12H,1-2H3",C16H16N2,236.1313485
2974,"1,2,3,7,8,9-Hexachlorodibenzo[b,d]furan",72918-21-9,DTXSID9052470,51720,"1,2,3,7,8,9-Hexachlorodibenzofuran",PYUSJFJVDVSXIU-UHFFFAOYSA-N,"1,2,3,7,8,9-Hexachlorodibenzo[b,d]furan",ClC1=CC2=C(C3=C(Cl)C(Cl)=C(Cl)C=C3O2)C(Cl)=C1Cl,InChI=1S/C12H2Cl6O/c13-3-1-5-7(11(17)9(3)15)8-6(19-5)2-4(14)10(16)12(8)18/h1-2H,C12H2Cl6O,371.8236809
2975,Nonacosanal,72934-04-4,DTXSID20705707,53654013,Nonacosanal,AUSHGUYKHVWAKG-UHFFFAOYSA-N,Nonacosanal,CCCCCCCCCCCCCCCCCCCCCCCCCCCCC=O,"InChI=1S/C29H58O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30/h29H,2-28H2,1H3",C29H58O,422.4487665
2976,"Nonanoic acid, 2-(hydroxymethyl)-2-[[(1-oxononyl)oxy]methyl]-1,3-propanediyl ester (9CI)",73052-00-3,,14251999,"Nonanoic acid, 2-(hydroxymethyl)-2-[[(1-oxononyl)oxy]methyl]-1,3-propanediyl ester (9CI)",XMYIASXIWHLPES-UHFFFAOYSA-N,[2-(hydroxymethyl)-3-nonanoyloxy-2-(nonanoyloxymethyl)propyl] nonanoate,O=C(OCC(CO)(COC(=O)CCCCCCCC)COC(=O)CCCCCCCC)CCCCCCCC,"InChI=1S/C32H60O7/c1-4-7-10-13-16-19-22-29(34)37-26-32(25-33,27-38-30(35)23-20-17-14-11-8-5-2)28-39-31(36)24-21-18-15-12-9-6-3/h33H,4-28H2,1-3H3",C32H60O7,556.434
2977,"2,4,6-Tris(tert-butyl)phenol",732-26-3,DTXSID2021311,12902,"2,4,6-Tris(tert-butyl)phenol",PFEFOYRSMXVNEL-UHFFFAOYSA-N,"2,4,6-Tri-tert-butylphenol",CC(C)(C)C1=CC(=C(O)C(=C1)C(C)(C)C)C(C)(C)C,"InChI=1S/C18H30O/c1-16(2,3)12-10-13(17(4,5)6)15(19)14(11-12)18(7,8)9/h10-11,19H,1-9H3",C18H30O,262.2296656
2978,(E)-Calamenene,73209-42-4,DTXSID201042908,,(E)-Calamenene,PGTJIOWQJWHTJJ-JNEKIBDFNA-N,,CC(C)[C@@H]1CC[C@@H](C)C2=CC=C(C)C=C12,"InChI=1S/C15H22/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5,7,9-10,12-13H,6,8H2,1-4H3/t12-,13+/m1/s1",C15H22,202.1721507
2979,"Z,E-3,13-Octadecadien-1-ol",73332-92-0,DTXSID0034198,5364516,"Z,E-3,13-Octadecadien-1-ol",QBNCGBJHGBGHLS-ZMHWZQNNSA-N,"(3Z,13E)-Octadeca-3,13-dien-1-ol",CCCC\C=C\CCCCCCCC\C=C/CCO,"InChI=1S/C18H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h5-6,15-16,19H,2-4,7-14,17-18H2,1H3/b6-5+,16-15-",C18H34O,266.2609657
2980,"Phenanthrene, 3,4,5,6-tetramethyl-",7343-06-8,DTXSID80223659,23769,"Phenanthrene, 3,4,5,6-tetramethyl-",BUSLHLOSCTVNRQ-UHFFFAOYSA-N,"3,4,5,6-Tetramethylphenanthrene",CC1=C(C)C2=C(C=C1)C=CC1=C2C(C)=C(C)C=C1,"InChI=1S/C18H18/c1-11-5-7-15-9-10-16-8-6-12(2)14(4)18(16)17(15)13(11)3/h5-10H,1-4H3",C18H18,234.1408506
2981,Benzopyrene,73467-76-2,DTXSID90273928,,Benzopyrene,,,,,,
2982,"Benzoic acid, 2-(hydroxyphenylmethyl)-, methyl ester",73472-90-9,DTXSID50460554,11264998,"Benzoic acid, 2-(hydroxyphenylmethyl)-, methyl ester",CKZLXBIDMFDBJL-UHFFFAOYSA-N,Methyl 2-[hydroxy(phenyl)methyl]benzoate,COC(=O)C1=CC=CC=C1C(O)C1=CC=CC=C1,"InChI=1S/C15H14O3/c1-18-15(17)13-10-6-5-9-12(13)14(16)11-7-3-2-4-8-11/h2-10,14,16H,1H3",C15H14O3,242.0942943
2983,"3H-3,8a-Ethano-1H-2-benzopyran-7(8H)-one, 8-[2-[2-(acetyloxy)-1-methyl-5-oxocyclopentyl]ethyl]hexahydro-3-methoxy-4,4-dimethyl-, [3S-[3?,4a?,8?(1R*,2R*),8a?]]- (9CI)",73522-34-6,,550132,"3H-3,8a-Ethano-1H-2-benzopyran-7(8H)-one, 8-[2-[2-(acetyloxy)-1-methyl-5-oxocyclopentyl]ethyl]hexahydro-3-methoxy-4,4-dimethyl-, [3S-[3?,4a?,8?(1R*,2R*),8a?]]- (9CI)",NEQMZJDCKGAJQW-UHFFFAOYSA-N,"[2-[2-(8-methoxy-7,7-dimethyl-3-oxo-9-oxatricyclo[6.2.2.01,6]dodecan-2-yl)ethyl]-2-methyl-3-oxocyclopentyl] acetate",O=C(OC1CCC(=O)C1(C)CCC2C(=O)CCC3C(C)(C)C4(OC)OCC23CC4)C,"InChI=1S/C24H36O6/c1-15(25)30-20-9-8-19(27)22(20,4)11-10-16-17(26)6-7-18-21(2,3)24(28-5)13-12-23(16,18)14-29-24/h16,18,20H,6-14H2,1-5H3",C24H36O6,420.251
2984,Tetradecyl perfluorobutanoate,7365-36-8,DTXSID00895655,525563,Tetradecyl perfluorobutanoate,QIUJCCVBRUUHMI-UHFFFAOYSA-N,Tetradecyl heptafluorobutanoate,CCCCCCCCCCCCCCOC(=O)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1S/C18H29F7O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-27-15(26)16(19,20)17(21,22)18(23,24)25/h2-14H2,1H3",C18H29F7O2,410.2055773
2985,Ethyl (E)-oct-2-enoate,7367-82-0,DTXSID701020036,5364399,Ethyl (E)-oct-2-enoate,AISZSTYLOVXFII-CMDGGOBGSA-N,Ethyl (2E)-oct-2-enoate,CCCCC\C=C\C(=O)OCC,"InChI=1S/C10H18O2/c1-3-5-6-7-8-9-10(11)12-4-2/h8-9H,3-7H2,1-2H3/b9-8+",C10H18O2,170.1306798
2986,"dibenzothiophene, 4-methyl-",7372-88-5,DTXSID00880809,30364,4-Methyldibenzothiophene,NICUQYHIOMMFGV-UHFFFAOYSA-N,"4-Methyldibenzo[b,d]thiophene",CC1=CC=CC2=C1SC1=C2C=CC=C1,"InChI=1S/C13H10S/c1-9-5-4-7-11-10-6-2-3-8-12(10)14-13(9)11/h2-8H,1H3",C13H10S,198.0503215
2987,"3,4'-Dimethyl-1,1'-biphenyl",7383-90-6,DTXSID50224335,23859,"3,4'-Dimethyl-1,1'-biphenyl",RBIDPZJTXCPESJ-UHFFFAOYSA-N,"3,4'-Dimethyl-1,1'-biphenyl",CC1=CC=C(C=C1)C1=CC=CC(C)=C1,"InChI=1S/C14H14/c1-11-6-8-13(9-7-11)14-5-3-4-12(2)10-14/h3-10H,1-2H3",C14H14,182.1095505
2988,"decanoic acid, 2-ethylhexyl ester",73947-30-5,DTXSID00867776,156266,"decanoic acid, 2-ethylhexyl ester",XEYIWOWYMLEPSD-UHFFFAOYSA-N,2-Ethylhexyl decanoate,CCCCCCCCCC(=O)OCC(CC)CCCC,"InChI=1S/C18H36O2/c1-4-7-9-10-11-12-13-15-18(19)20-16-17(6-3)14-8-5-2/h17H,4-16H2,1-3H3",C18H36O2,284.2715304
2989,"Phenanthrene, 2,4,5,7-tetramethyl- (8CI)(9CI)",7396-38-5,DTXSID50224693,23880,"Phenanthrene, 2,4,5,7-tetramethyl- (8CI)(9CI)",BZXXZUAJRXKPOF-UHFFFAOYSA-N,"2,4,5,7-Tetramethylphenanthrene",CC1=CC(C)=C2C(C=CC3=CC(C)=CC(C)=C23)=C1,"InChI=1S/C18H18/c1-11-7-13(3)17-15(9-11)5-6-16-10-12(2)8-14(4)18(16)17/h5-10H,1-4H3",C18H18,234.1408506
2990,Dibromomethane,74-95-3,DTXSID4021557,3024,Dibromomethane,FJBFPHVGVWTDIP-UHFFFAOYSA-N,Dibromomethane,BrCBr,InChI=1S/CH2Br2/c2-1-3/h1H2,CH2Br2,171.852326
2991,Bromochloromethane,74-97-5,DTXSID4021503,6333,Bromochloromethane,JPOXNPPZZKNXOV-UHFFFAOYSA-N,Bromo(chloro)methane,ClCBr,InChI=1S/CH2BrCl/c2-1-3/h1H2,CH2BrCl,127.902841
2992,p-Hydroxycinnamic acid,7400-08-0,DTXSID6064660,322,p-Hydroxycinnamic acid,NGSWKAQJJWESNS-UHFFFAOYSA-N,3-(4-Hydroxyphenyl)prop-2-enoic acid,OC(=O)C=CC1=CC=C(O)C=C1,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)",C9H8O3,164.0473441
2993,"1,1,6,6-tetramethylspiro[4.4]nonane",74054-92-5,DTXSID10880799,565588,"1,1,6,6-tetramethylspiro[4.4]nonane",DXCGGAAYMYDMBJ-UHFFFAOYSA-N,"1,1,6,6-Tetramethylspiro[4.4]nonane",CC1(C)CCCC11CCCC1(C)C,"InChI=1S/C13H24/c1-11(2)7-5-9-13(11)10-6-8-12(13,3)4/h5-10H2,1-4H3",C13H24,180.1878008
2994,"2-Aminooctadeca-3,5-dien-1-ol",74070-73-8,DTXSID90824959,71404093,"2-Aminooctadeca-3,5-dien-1-ol",YWJKMMURCWZLDW-UHFFFAOYSA-N,"2-Aminooctadeca-3,5-dien-1-ol",CCCCCCCCCCCCC=CC=CC(N)CO,"InChI=1S/C18H35NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(19)17-20/h13-16,18,20H,2-12,17,19H2,1H3",C18H35NO,281.2718648
2995,2-Ethylhexyl 2-ethylhexanoate,7425-14-1,DTXSID9052478,23906,2-Ethylhexyl 2-ethylhexanoate,OUCGJMIVSYHBEC-UHFFFAOYSA-N,2-Ethylhexyl 2-ethylhexanoate,CCCCC(CC)COC(=O)C(CC)CCCC,"InChI=1S/C16H32O2/c1-5-9-11-14(7-3)13-18-16(17)15(8-4)12-10-6-2/h14-15H,5-13H2,1-4H3",C16H32O2,256.2402303
2996,2-Ethyl-3-hydroxyhexyl 2-methylpropanoate,74367-31-0,DTXSID90334987,522537,2-Ethyl-3-hydroxyhexyl 2-methylpropanoate,QQRIGCXMIPFTKR-UHFFFAOYSA-N,2-Ethyl-3-hydroxyhexyl 2-methylpropanoate,CCCC(O)C(CC)COC(=O)C(C)C,"InChI=1S/C12H24O3/c1-5-7-11(13)10(6-2)8-15-12(14)9(3)4/h9-11,13H,5-8H2,1-4H3",C12H24O3,216.1725446
2997,"propanoic acid, 2-methyl-, 2,2-dimethyl-1-(2-hydroxy-1-methylethyl)propyl ester",74367-33-2,DTXSID40868303,156477,"propanoic acid, 2-methyl-, 2,2-dimethyl-1-(2-hydroxy-1-methylethyl)propyl ester",YXISVHDWGVMPGJ-UHFFFAOYSA-N,"1-Hydroxy-2,4,4-trimethylpentan-3-yl 2-methylpropanoate",CC(C)C(=O)OC(C(C)CO)C(C)(C)C,"InChI=1S/C12H24O3/c1-8(2)11(14)15-10(9(3)7-13)12(4,5)6/h8-10,13H,7H2,1-6H3",C12H24O3,216.1725446
2998,"3-Hydroxy-2,4,4-trimethylpentyl 2-methylpropanoate",74367-34-3,DTXSID70881202,551387,"3-Hydroxy-2,4,4-trimethylpentyl 2-methylpropanoate",WXFRFCWHHBELIH-UHFFFAOYSA-N,"3-Hydroxy-2,4,4-trimethylpentyl 2-methylpropanoate",CC(C)C(=O)OCC(C)C(O)C(C)(C)C,"InChI=1S/C12H24O3/c1-8(2)11(14)15-7-9(3)10(13)12(4,5)6/h8-10,13H,7H2,1-6H3",C12H24O3,216.1725446
2999,"2,4,4-Trimethylpentane-1,3-diyl bis(2-methylpropanoate)",74381-40-1,DTXSID50881220,93439,"2,4,4-Trimethylpentane-1,3-diyl bis(2-methylpropanoate)",PXNPSORLYYNBLA-UHFFFAOYSA-N,"2,4,4-Trimethylpentane-1,3-diyl bis(2-methylpropanoate)",CC(C)C(=O)OCC(C)C(OC(=O)C(C)C)C(C)(C)C,"InChI=1S/C16H30O4/c1-10(2)14(17)19-9-12(5)13(16(6,7)8)20-15(18)11(3)4/h10-13H,9H2,1-8H3",C16H30O4,286.2144094
3000,Ethylene Terephthalate Cyclic Trimer,7441-32-9,DTXSID801017127,15089684,Ethylene Terephthalate Cyclic Trimer,IICRGUKQYYOPIG-UHFFFAOYSA-N,"3,6,13,16,23,26-Hexaoxatetracyclo[26.2.2.2~8,11~.2~18,21~]hexatriaconta-1(30),8,10,18,20,28,31,33,35-nonaene-2,7,12,17,22,27-hexone",O=C1OCCOC(=O)C2=CC=C(C=C2)C(=O)OCCOC(=O)C2=CC=C(C=C2)C(=O)OCCOC(=O)C2=CC=C1C=C2,"InChI=1S/C30H24O12/c31-25-19-1-2-20(4-3-19)26(32)38-15-16-40-28(34)22-9-11-24(12-10-22)30(36)42-18-17-41-29(35)23-7-5-21(6-8-23)27(33)39-14-13-37-25/h1-12H,13-18H2",C30H24O12,576.1267762
3001,"cyclopentane, 1,1,3-trimethyl-3-(2-methyl-2-propenyl)-",74421-09-3,DTXSID10880774,550317,"cyclopentane, 1,1,3-trimethyl-3-(2-methyl-2-propenyl)-",DXIUTXDTDSKHFH-UHFFFAOYSA-N,"1,1,3-Trimethyl-3-(2-methylprop-2-en-1-yl)cyclopentane",CC(=C)CC1(C)CCC(C)(C)C1,"InChI=1S/C12H22/c1-10(2)8-12(5)7-6-11(3,4)9-12/h1,6-9H2,2-5H3",C12H22,166.1721507
3002,?-Methyl-?-phenylbenzeneethanol (ACI),74421-26-4,,602279,?-Methyl-?-phenylbenzeneethanol (ACI),WAUNMVYXQAKNLE-UHFFFAOYSA-N,"2,2-diphenylpropan-1-ol",OCC(C=1C=CC=CC1)(C=2C=CC=CC2)C,"InChI=1S/C15H16O/c1-15(12-16,13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11,16H,12H2,1H3",C15H16O,212.12
3003,"2,3,3',4,4',5,5',6-Octachlorobiphenyl",74472-53-0,DTXSID2074241,91722,"2,3,3',4,4',5,5',6-Octachlorobiphenyl",VXXBCDUYUQKWCK-UHFFFAOYSA-N,"2,3,3',4,4',5,5',6-Octachloro-1,1'-biphenyl",ClC1=CC(=CC(Cl)=C1Cl)C1=C(Cl)C(Cl)=C(Cl)C(Cl)=C1Cl,InChI=1S/C12H2Cl8/c13-4-1-3(2-5(14)7(4)15)6-8(16)10(18)12(20)11(19)9(6)17/h1-2H,C12H2Cl8,425.7664717
3004,"3,3-Dimethyl-1-octene",74511-51-6,DTXSID20338514,549578,"3,3-Dimethyl-1-octene",LXXSZHUPIQOEPU-UHFFFAOYSA-N,"3,3-Dimethyloct-1-ene",CCCCCC(C)(C)C=C,"InChI=1S/C10H20/c1-5-7-8-9-10(3,4)6-2/h6H,2,5,7-9H2,1,3-4H3",C10H20,140.1565006
3005,Ethyl 2-methylbutyrate,7452-79-1,DTXSID3052488,24020,Ethyl 2-methylbutyrate,HCRBXQFHJMCTLF-UHFFFAOYSA-N,Ethyl 2-methylbutanoate,CCOC(=O)C(C)CC,"InChI=1S/C7H14O2/c1-4-6(3)7(8)9-5-2/h6H,4-5H2,1-3H3",C7H14O2,130.0993797
3006,(2E)-2-Hexadecene (ACI),74533-96-3,,5352247,(2E)-2-Hexadecene (ACI),YITMLDIGEJSENC-HWKANZROSA-N,(E)-hexadec-2-ene,C(=CCCCCCCCCCCCCC)C,"InChI=1S/C16H32/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3,5H,4,6-16H2,1-2H3",C16H32,224.25
3007,(2Z)-2-Hexadecene (ACI),74533-97-4,,5352224,(2Z)-2-Hexadecene (ACI),YITMLDIGEJSENC-HYXAFXHYSA-N,(Z)-hexadec-2-ene,C(=CCCCCCCCCCCCCC)C,"InChI=1S/C16H32/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3,5H,4,6-16H2,1-2H3",C16H32,224.25
3008,"9,12-octadecadienoyl chloride, (z,z)-",7459-33-8,DTXSID30880877,9817754,"9,12-octadecadienoyl chloride, (z,z)-",FBWMYSQUTZRHAT-HZJYTTRNSA-N,"(9Z,12Z)-Octadeca-9,12-dienoyl chloride",CCCCC\C=C/C\C=C/CCCCCCCC(Cl)=O,"InChI=1S/C18H31ClO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3/b7-6-,10-9-",C18H31ClO,298.2063433
3009,"Pentanoic acid, 2-phenylethyl ester",7460-74-4,DTXSID9064712,81964,"Pentanoic acid, 2-phenylethyl ester",PDGPIBIURNPBSE-UHFFFAOYSA-N,2-Phenylethyl pentanoate,CCCCC(=O)OCCC1=CC=CC=C1,"InChI=1S/C13H18O2/c1-2-3-9-13(14)15-11-10-12-7-5-4-6-8-12/h4-8H,2-3,9-11H2,1H3",C13H18O2,206.1306798
3010,"octane, 3-methyl-6-methylene-",74630-07-2,DTXSID10880739,550803,"octane, 3-methyl-6-methylene-",HXTBXHKSQNOPQS-UHFFFAOYSA-N,3-Methyl-6-methylideneoctane,CCC(C)CCC(=C)CC,"InChI=1S/C10H20/c1-5-9(3)7-8-10(4)6-2/h10H,3,5-8H2,1-2,4H3",C10H20,140.1565006
3011,4-methyl-1-undecene,74630-39-0,DTXSID501015960,522551,4-methyl-1-undecene,XOPDEIDKEIFVSU-UHFFFAOYSA-N,4-Methylundec-1-ene,CCCCCCCC(C)CC=C,"InChI=1S/C12H24/c1-4-6-7-8-9-11-12(3)10-5-2/h5,12H,2,4,6-11H2,1,3H3",C12H24,168.1878008
3012,"3-undecene, 2-methyl-, (e)-",74630-51-6,DTXSID00880703,5364886,"3-undecene, 2-methyl-, (e)-",FBQHQLXAWUWXCQ-ZHACJKMWSA-N,(3E)-2-Methylundec-3-ene,CCCCCCC\C=C\C(C)C,"InChI=1S/C12H24/c1-4-5-6-7-8-9-10-11-12(2)3/h10-12H,4-9H2,1-3H3/b11-10+",C12H24,168.1878008
3013,"4-undecene, 10-methyl-, (e)-",74630-60-7,DTXSID30880716,5364872,"4-undecene, 10-methyl-, (e)-",ITORYBUTDYSXJX-VOTSOKGWSA-N,(4E)-10-Methylundec-4-ene,CCC\C=C\CCCCC(C)C,"InChI=1S/C12H24/c1-4-5-6-7-8-9-10-11-12(2)3/h6-7,12H,4-5,8-11H2,1-3H3/b7-6+",C12H24,168.1878008
3014,"5-undecene, 7-methyl-, (e)-",74630-66-3,DTXSID40880681,5365957,"5-undecene, 7-methyl-, (e)-",AYGCSJBMFWHHDD-PKNBQFBNSA-N,(5E)-7-Methylundec-5-ene,CCCC\C=C\C(C)CCCC,"InChI=1S/C12H24/c1-4-6-8-9-11-12(3)10-7-5-2/h9,11-12H,4-8,10H2,1-3H3/b11-9+",C12H24,168.1878008
3015,"2,7,10-Trimethyldodecane",74645-98-0,DTXSID5058642,93447,"2,7,10-Trimethyldodecane",JCJGCZBSINPZAJ-UHFFFAOYSA-N,"2,7,10-Trimethyldodecane",CCC(C)CCC(C)CCCCC(C)C,"InChI=1S/C15H32/c1-6-14(4)11-12-15(5)10-8-7-9-13(2)3/h13-15H,6-12H2,1-5H3",C15H32,212.250401
3016,"cyclohexane, 1,1'-(1,2-dimethyl-1,2-ethanediyl)bis-",74663-71-1,DTXSID50880733,522555,"cyclohexane, 1,1'-(1,2-dimethyl-1,2-ethanediyl)bis-",CKYRHDXTXMYCMX-UHFFFAOYSA-N,"1,1'-(Butane-2,3-diyl)dicyclohexane",CC(C(C)C1CCCCC1)C1CCCCC1,"InChI=1S/C16H30/c1-13(15-9-5-3-6-10-15)14(2)16-11-7-4-8-12-16/h13-16H,3-12H2,1-2H3",C16H30,222.234751
3017,"cyclopropane, nonyl-",74663-85-7,DTXSID00880869,522556,"cyclopropane, nonyl-",DTLFSMAJSOYMCO-UHFFFAOYSA-N,Nonylcyclopropane,CCCCCCCCCC1CC1,"InChI=1S/C12H24/c1-2-3-4-5-6-7-8-9-12-10-11-12/h12H,2-11H2,1H3",C12H24,168.1878008
3018,"5-eicosene, (e)-",74685-30-6,DTXSID30880872,5364600,"5-eicosene, (e)-",QRJSGJWTKHSNMK-PKNBQFBNSA-N,(5E)-Icos-5-ene,CCCCCCCCCCCCCC\C=C\CCCC,"InChI=1S/C20H40/c1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2/h9,11H,3-8,10,12-20H2,1-2H3/b11-9+",C20H40,280.3130013
3019,"3-eicosene, (e)-",74685-33-9,DTXSID90880873,5365051,"3-eicosene, (e)-",AKTLQTMAOYZJGI-FNORWQNLSA-N,(3E)-Icos-3-ene,CCCCCCCCCCCCCCCC\C=C\CC,"InChI=1S/C20H40/c1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2/h5,7H,3-4,6,8-20H2,1-2H3/b7-5+",C20H40,280.3130013
3020,"Naphthalene, 1,2-dihydro-4-phenyl-",7469-40-1,DTXSID90225664,24054,"Naphthalene, 1,2-dihydro-4-phenyl-",JKTVTLYXBAHXCW-UHFFFAOYSA-N,"4-Phenyl-1,2-dihydronaphthalene",C1CC2=CC=CC=C2C(=C1)C1=CC=CC=C1,"InChI=1S/C16H14/c1-2-7-13(8-3-1)16-12-6-10-14-9-4-5-11-15(14)16/h1-5,7-9,11-12H,6,10H2",C16H14,206.1095505
3021,"1,4-methanobenzocyclodecene, 1,2,3,4,4a,5,8,9,12,12a-decahydro-",74708-73-9,DTXSID70880654,556414,"1,4-methanobenzocyclodecene, 1,2,3,4,4a,5,8,9,12,12a-decahydro-",OJHFLPDLBLRUFF-UHFFFAOYSA-N,"1,2,3,4,4a,5,8,9,12,12a-Decahydro-1,4-methanobenzo[10]annulene",C1CC2CC1C1CC=CCCC=CCC21,"InChI=1S/C15H22/c1-2-4-6-8-15-13-10-9-12(11-13)14(15)7-5-3-1/h3-6,12-15H,1-2,7-11H2",C15H22,202.1721507
3022,"1,2-Dimethylpropyl ?-ethylbenzeneacetate (ACI)",74715-42-7,,91691730,"1,2-Dimethylpropyl ?-ethylbenzeneacetate (ACI)",BYYOPFNWBWBMHY-UHFFFAOYSA-N,3-methylbutan-2-yl 2-phenylbutanoate,O=C(OC(C)C(C)C)C(C=1C=CC=CC1)CC,"InChI=1S/C15H22O2/c1-5-14(13-9-7-6-8-10-13)15(16)17-12(4)11(2)3/h6-12,14H,5H2,1-4H3",C15H22O2,234.162
3023,2-Hydroxy-2-methylpropiophenone,7473-98-5,DTXSID8044830,81984,2-Hydroxy-2-methylpropiophenone,XMLYCEVDHLAQEL-UHFFFAOYSA-N,2-Hydroxy-2-methyl-1-phenylpropan-1-one,CC(C)(O)C(=O)C1=CC=CC=C1,"InChI=1S/C10H12O2/c1-10(2,12)9(11)8-6-4-3-5-7-8/h3-7,12H,1-2H3",C10H12O2,164.0837296
3024,"4-hexadecen-6-yne, (z)-",74744-54-0,DTXSID40880863,5367377,"4-hexadecen-6-yne, (z)-",XZDCEQPWFZIZPQ-CLFYSBASSA-N,(4Z)-Hexadec-4-en-6-yne,CCCCCCCCCC#C\C=C/CCC,"InChI=1S/C16H28/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h7,9H,3-6,8,10,12,14-16H2,1-2H3/b9-7-",C16H28,220.2191009
3025,"propanedinitrile, cyclohexyl(2-methylcyclohexyl)-",74764-55-9,DTXSID00880884,544194,"propanedinitrile, cyclohexyl(2-methylcyclohexyl)-",DSBUDFYXGKAXOI-UHFFFAOYSA-N,Cyclohexyl(2-methylcyclohexyl)propanedinitrile,CC1CCCCC1C(C#N)(C#N)C1CCCCC1,"InChI=1S/C16H24N2/c1-13-7-5-6-10-15(13)16(11-17,12-18)14-8-3-2-4-9-14/h13-15H,2-10H2,1H3",C16H24N2,244.1939488
3026,"cyclohexane, (2-ethyl-1-methylbutylidene)-",74810-41-6,DTXSID60880926,565721,"cyclohexane, (2-ethyl-1-methylbutylidene)-",GQKRSVUSXBAUND-UHFFFAOYSA-N,(3-Ethylpentan-2-ylidene)cyclohexane,CCC(CC)C(C)=C1CCCCC1,"InChI=1S/C13H24/c1-4-12(5-2)11(3)13-9-7-6-8-10-13/h12H,4-10H2,1-3H3",C13H24,180.1878008
3027,"cyclohexane, (2-ethyl-1-methyl-1-butenyl)-",74810-42-7,DTXSID70880634,534697,"cyclohexane, (2-ethyl-1-methyl-1-butenyl)-",OKUNFCUAPUTMHR-UHFFFAOYSA-N,(3-Ethylpent-2-en-2-yl)cyclohexane,CCC(CC)=C(C)C1CCCCC1,"InChI=1S/C13H24/c1-4-12(5-2)11(3)13-9-7-6-8-10-13/h13H,4-10H2,1-3H3",C13H24,180.1878008
3028,25-Oxo-27-norcholesterol,7494-34-0,DTXSID5058644,165617,25-Oxo-27-norcholesterol,NYJPQNDSCIEILZ-ISLLTSAGSA-N,"(6R)-6-[(1R,3aS,3bS,7S,9aR,9bS,11aR)-7-Hydroxy-9a,11a-dimethyl-2,3,3a,3b,4,6,7,8,9,9a,9b,10,11,11a-tetradecahydro-1H-cyclopenta[a]phenanthren-1-yl]heptan-2-one",C[C@H](CCCC(C)=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,"InChI=1S/C26H42O2/c1-17(6-5-7-18(2)27)22-10-11-23-21-9-8-19-16-20(28)12-14-25(19,3)24(21)13-15-26(22,23)4/h8,17,20-24,28H,5-7,9-16H2,1-4H3/t17-,20+,21+,22-,23+,24+,25+,26-/m1/s1",C26H42O2,386.3184806
3029,(2E)-2-Tridecen-1-ol,74962-98-4,DTXSID40880868,5364949,(2E)-2-Tridecen-1-ol,VPYJHNADOJDSGU-VAWYXSNFSA-N,(2E)-Tridec-2-en-1-ol,CCCCCCCCCC\C=C\CO,"InChI=1S/C13H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h11-12,14H,2-10,13H2,1H3/b12-11+",C13H26O,198.1983655
3030,Chloroethane,75-00-3,DTXSID1020302,6337,Chloroethane,HRYZWHHZPQKTII-UHFFFAOYSA-N,Chloroethane,CCCl,"InChI=1S/C2H5Cl/c1-2-3/h2H2,1H3",C2H5Cl,64.0079779
3031,Vinyl chloride,75-01-4,DTXSID8021434,6338,Vinyl chloride,BZHJMEDXRYGGRV-UHFFFAOYSA-N,Chloroethene,ClC=C,"InChI=1S/C2H3Cl/c1-2-3/h2H,1H2",C2H3Cl,61.9923278
3032,Acetaldehyde,75-07-0,DTXSID5039224,177,Acetaldehyde,IKHGUXGNUITLKF-UHFFFAOYSA-N,Acetaldehyde,CC=O,"InChI=1S/C2H4O/c1-2-3/h2H,1H3",C2H4O,44.02621475
3033,Dichloromethane,75-09-2,DTXSID0020868,6344,Dichloromethane,YMWUJEATGCHHMB-UHFFFAOYSA-N,Dichloromethane,ClCCl,InChI=1S/CH2Cl2/c2-1-3/h1H2,CH2Cl2,83.9533555
3034,Carbon disulfide,75-15-0,DTXSID6023947,6348,Carbon disulfide,QGJOPFRUJISHPQ-UHFFFAOYSA-N,Methanedithione,S=C=S,InChI=1S/CS2/c2-1-3,CS2,75.94414235
3035,Bromoform,75-25-2,DTXSID1021374,5558,Bromoform,DIKBFYAXUHHXCS-UHFFFAOYSA-N,Tribromomethane,BrC(Br)Br,InChI=1S/CHBr3/c2-1(3)4/h1H,CHBr3,249.762839
3036,Bromodichloromethane,75-27-4,DTXSID1020198,6359,Bromodichloromethane,FMWLUWPQPKEARP-UHFFFAOYSA-N,Bromo(dichloro)methane,ClC(Cl)Br,InChI=1S/CHBrCl2/c2-1(3)4/h1H,CHBrCl2,161.863868
3037,"1,1-Dichloroethane",75-34-3,DTXSID1020437,6365,"1,1-Dichloroethane",SCYULBFZEHDVBN-UHFFFAOYSA-N,"1,1-Dichloroethane",CC(Cl)Cl,"InChI=1S/C2H4Cl2/c1-2(3)4/h2H,1H3",C2H4Cl2,97.9690055
3038,"1,1-Dichloroethylene",75-35-4,DTXSID8021438,6366,"1,1-Dichloroethylene",LGXVIGDEPROXKC-UHFFFAOYSA-N,"1,1-Dichloroethene",ClC(Cl)=C,InChI=1S/C2H2Cl2/c1-2(3)4/h1H2,C2H2Cl2,95.9533555
3039,tert-Butyl alcohol,75-65-0,DTXSID8020204,6386,tert-Butyl alcohol,DKGAVHZHDRPRBM-UHFFFAOYSA-N,2-Methylpropan-2-ol,CC(C)(C)O,"InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3",C4H10O,74.07316494
3040,"2,2-Dimethylpropanoic acid",75-98-9,DTXSID8026432,6417,"2,2-Dimethylpropanoic acid",IUGYQRQAERSCNH-UHFFFAOYSA-N,"2,2-Dimethylpropanoic acid",CC(C)(C)C(O)=O,"InChI=1S/C5H10O2/c1-5(2,3)4(6)7/h1-3H3,(H,6,7)",C5H10O2,102.0680796
3041,Helminthogermacrene,75023-40-4,,71306395,Helminthogermacrene,XMRKUJJDDKYUHV-SOMPWSNVSA-N,"(1E,5Z,8R)-1,5-dimethyl-8-prop-1-en-2-ylcyclodeca-1,5-diene",C=C(C)C1CC=C(C)CCC=C(C)CC1,"InChI=1S/C15H24/c1-12(2)15-10-8-13(3)6-5-7-14(4)9-11-15/h6,9,15H,1,5,7-8,10-11H2,2-4H3",C15H24,204.188
3042,trans-2-undecen-1-ol,75039-84-8,DTXSID70880856,5365004,trans-2-undecen-1-ol,SKBIQKQBLQHOSU-MDZDMXLPSA-N,(2E)-Undec-2-en-1-ol,CCCCCCCC\C=C\CO,"InChI=1S/C11H22O/c1-2-3-4-5-6-7-8-9-10-11-12/h9-10,12H,2-8,11H2,1H3/b10-9+",C11H22O,170.1670653
3043,Dimethyltin dichloride,753-73-1,DTXSID5027304,12955,Dimethyltin dichloride,PKKGKUDPKRTKLJ-UHFFFAOYSA-L,Dichloro(dimethyl)stannane,C[Sn](C)(Cl)Cl,InChI=1S/2CH3.2ClH.Sn/h2*1H3;2*1H;/q;;;;+2/p-2,C2H6Cl2Sn,219.886858
3044,"2,?9,?12-?Octadecatrienoic acid, methyl ester, (Z,?Z,?Z)?-",75315-95-6,DTXSID301017041,91694372,"2,​9,​12-​Octadecatrienoic acid, methyl ester, (Z,​Z,​Z)​-",YIBMJQICEPWMPO-DXBQHLCFSA-N,"Methyl (3Z,9Z,12Z)-octadeca-3,9,12-trienoate",[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])CCCC\C([H])=C(\[H])CC(=O)OC,"InChI=1S/C19H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h7-8,10-11,16-17H,3-6,9,12-15,18H2,1-2H3/b8-7-,11-10-,17-16-",C19H32O2,292.2402303
3045,Diethyl malate,7554-12-3,DTXSID7048081,24197,Diethyl malate,VKNUORWMCINMRB-UHFFFAOYSA-N,Diethyl 2-hydroxybutanedioate,CCOC(=O)CC(O)C(=O)OCC,"InChI=1S/C8H14O5/c1-3-12-7(10)5-6(9)8(11)13-4-2/h6,9H,3-5H2,1-2H3",C8H14O5,190.0841236
3046,"Benzene, (cyclopropylidenemethyl)-",7555-67-1,DTXSID20335008,522586,"Benzene, (cyclopropylidenemethyl)-",VXAOEHNEGSMNAU-UHFFFAOYSA-N,(Cyclopropylidenemethyl)benzene,C1CC1=CC1=CC=CC=C1,"InChI=1S/C10H10/c1-2-4-9(5-3-1)8-10-6-7-10/h1-5,8H,6-7H2",C10H10,130.0782503
3047,"2,6,10,14,18-pentamethyl-2,6,10,14,18-eicosapentaene",75581-03-2,DTXSID60880648,5366013,"2,6,10,14,18-pentamethyl-2,6,10,14,18-eicosapentaene",IMXDCJPVYKXJPD-FMOJUEAUSA-N,"(6E,10E,14E,18E)-2,6,10,14,18-Pentamethylicosa-2,6,10,14,18-pentaene",C\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C,"InChI=1S/C25H42/c1-8-22(4)14-10-16-24(6)18-12-20-25(7)19-11-17-23(5)15-9-13-21(2)3/h8,13,16-17,20H,9-12,14-15,18-19H2,1-7H3/b22-8+,23-17+,24-16+,25-20+",C25H42,342.3286514
3048,"2-Ethylhexyl hexyl benzene-1,2-dicarboxylate",75673-16-4,DTXSID40988333,156626,"2-Ethylhexyl hexyl benzene-1,2-dicarboxylate",BZGXQJVPKYXMDX-UHFFFAOYSA-N,"2-Ethylhexyl hexyl benzene-1,2-dicarboxylate",CCCCCCOC(=O)C1=CC=CC=C1C(=O)OCC(CC)CCCC,"InChI=1S/C22H34O4/c1-4-7-9-12-16-25-21(23)19-14-10-11-15-20(19)22(24)26-17-18(6-3)13-8-5-2/h10-11,14-15,18H,4-9,12-13,16-17H2,1-3H3",C22H34O4,362.2457096
3049,"Tributyl prop-1-ene-1,2,3-tricarboxylate",7568-58-3,DTXSID50864093,94813,"Tributyl prop-1-ene-1,2,3-tricarboxylate",BANLNYYTSYHBAP-UHFFFAOYSA-N,"Tributyl prop-1-ene-1,2,3-tricarboxylate",CCCCOC(=O)CC(=CC(=O)OCCCC)C(=O)OCCCC,"InChI=1S/C18H30O6/c1-4-7-10-22-16(19)13-15(18(21)24-12-9-6-3)14-17(20)23-11-8-5-2/h13H,4-12,14H2,1-3H3",C18H30O6,342.2042387
3050,"Benz(a)anthracene, 1,2-dimethyl-",75975-71-2,DTXSID90226878,156645,"Benz(a)anthracene, 1,2-dimethyl-",YQRNVIBATHFHCC-UHFFFAOYSA-N,"1,2-Dimethyltetraphene",CC1=C(C)C2=C(C=C1)C=CC1=CC3=CC=CC=C3C=C21,"InChI=1S/C20H16/c1-13-7-8-15-9-10-18-11-16-5-3-4-6-17(16)12-19(18)20(15)14(13)2/h3-12H,1-2H3",C20H16,256.1252005
3051,Pentachloroethane,76-01-7,DTXSID7021104,6419,Pentachloroethane,BNIXVQGCZULYKV-UHFFFAOYSA-N,"1,1,1,2,2-Pentachloroethane",ClC(Cl)C(Cl)(Cl)Cl,"InChI=1S/C2HCl5/c3-1(4)2(5,6)7/h1H",C2HCl5,199.8520885
3052,Camphor,76-22-2,DTXSID5030955,2537,Camphor,DSSYKIVIOFKYAU-UHFFFAOYSA-N,"1,7,7-Trimethylbicyclo[2.2.1]heptan-2-one",CC1(C)C2CCC1(C)C(=O)C2,"InChI=1S/C10H16O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7H,4-6H2,1-3H3",C10H16O,152.1201151
3053,Triamcinolone acetonide,76-25-5,DTXSID6021371,6436,Triamcinolone acetonide,YNDXUCZADRHECN-JNQJZLCISA-N,"(4aS,4bR,5S,6aS,6bS,9aR,10aS,10bS)-4b-Fluoro-5-hydroxy-6b-(hydroxyacetyl)-4a,6a,8,8-tetramethyl-4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-dodecahydro-2H,8H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-2-one",[H][C@@]12C[C@@]3([H])[C@]4([H])CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]1(OC(C)(C)O2)C(=O)CO,"InChI=1S/C24H31FO6/c1-20(2)30-19-10-16-15-6-5-13-9-14(27)7-8-21(13,3)23(15,25)17(28)11-22(16,4)24(19,31-20)18(29)12-26/h7-9,15-17,19,26,28H,5-6,10-12H2,1-4H3/t15-,16-,17-,19+,21-,22-,23-,24+/m0/s1",C24H31FO6,434.2104669
3054,Heptachlor,76-44-8,DTXSID3020679,3589,Heptachlor,FRCCEHPWNOQAEU-UHFFFAOYSA-N,"1,4,5,6,7,8,8-Heptachloro-3a,4,7,7a-tetrahydro-1H-4,7-methanoindene",ClC1C=CC2C1C1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl,"InChI=1S/C10H5Cl7/c11-4-2-1-3-5(4)9(15)7(13)6(12)8(3,14)10(9,16)17/h1-5H",C10H5Cl7,369.8210941
3055,"1,2-Dipalmitoyl-rac-glycerol",40290-32-2,DTXSID50892078,99931,"(+/-)-1,2-Dipalmitin",JEJLGIQLPYYGEE-UHFFFAOYSA-N,"3-Hydroxypropane-1,2-diyl dihexadecanoate",CCCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C35H68O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(37)39-32-33(31-36)40-35(38)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33,36H,3-32H2,1-2H3",C35H68O5,568.5066753
3056,"N,N-Dibutylformamide",761-65-9,DTXSID3022114,12975,"N,N-Dibutylformamide",NZMAJUHVSZBJHL-UHFFFAOYSA-N,"N,N-Dibutylformamide",CCCCN(CCCC)C=O,"InChI=1S/C9H19NO/c1-3-5-7-10(9-11)8-6-4-2/h9H,3-8H2,1-2H3",C9H19NO,157.1466642
3057,"1,1'-(3-Methyl-1-propene-1,3-diyl)bis-benzene",7614-93-9,DTXSID40871195,24254,"1,1'-(3-Methyl-1-propene-1,3-diyl)bis-benzene",GNQWHYWLSGTMSL-UHFFFAOYSA-N,"1,1'-(But-1-ene-1,3-diyl)dibenzene",CC(C=CC1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C16H16/c1-14(16-10-6-3-7-11-16)12-13-15-8-4-2-5-9-15/h2-14H,1H3",C16H16,208.1252005
3058,gamma-Tocopherol,7616-22-0,DTXSID5044075,14986,gamma-Tocopherol,QUEDXNHFTDJVIY-UHFFFAOYSA-N,"2,7,8-Trimethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydro-2H-1-benzopyran-6-ol",CC(C)CCCC(C)CCCC(C)CCCC1(C)CCC2=C(O1)C(C)=C(C)C(O)=C2,"InChI=1S/C28H48O2/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-17-28(7)18-16-25-19-26(29)23(5)24(6)27(25)30-28/h19-22,29H,8-18H2,1-7H3",C28H48O2,416.3654308
3059,Diethyl phosphite,762-04-9,DTXSID9041861,12977,Diethyl phosphite,SULWMEGSVQCTSK-UHFFFAOYSA-N,Diethyl hydrogen phosphite,CCOP(O)OCC,"InChI=1S/C4H11O3P/c1-3-6-8(5)7-4-2/h5H,3-4H2,1-2H3",C4H11O3P,138.0445812
3060,3-Methylbut-3-en-1-ol,763-32-6,DTXSID4052506,12988,3-Methylbut-3-en-1-ol,CPJRRXSHAYUTGL-UHFFFAOYSA-N,3-Methylbut-3-en-1-ol,CC(=C)CCO,"InChI=1S/C5H10O/c1-5(2)3-4-6/h6H,1,3-4H2,2H3",C5H10O,86.07316494
3061,Silica,7631-86-9,DTXSID1029677,24261,Silica,VYPSYNLAJGMNEJ-UHFFFAOYSA-N,,O=[Si]=O,InChI=1S/O2Si/c1-3-2,O2Si,59.96675578
3062,"L-Valine, N-[[(4,5-dimethoxy-2-nitrophenyl)methoxy]carbonyl]-, 3?-ester with 2?-deoxy-5?-O-phosphonocytidylyl-(3??5?)-adenosine (9CI)",763124-00-1,,10677414,"L-Valine, N-[[(4,5-dimethoxy-2-nitrophenyl)methoxy]carbonyl]-, 3?-ester with 2?-deoxy-5?-O-phosphonocytidylyl-(3??5?)-adenosine (9CI)",PPFGSKHSNAEVSM-ZZGDYZKHSA-N,"[(2R,3S,4R,5R)-2-[[[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-(phosphonooxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-3-yl] (2S)-2-[(4,5-dimethoxy-2-nitrophenyl)methoxycarbonylamino]-3-methylbutanoate",O=C1N=C(N)C=CN1C2OC(COP(=O)(O)O)C(OP(=O)(O)OCC3OC(N4C=NC=5C(=NC=NC54)N)C(O)C3OC(=O)C(NC(=O)OCC6=CC(OC)=C(OC)C=C6N(=O)=O)C(C)C)C2,"InChI=1S/C34H44N10O20P2/c1-15(2)25(41-34(48)58-10-16-7-18(56-3)19(57-4)8-17(16)44(49)50)32(46)63-28-22(62-31(27(28)45)43-14-39-26-29(36)37-13-38-30(26)43)12-60-66(54,55)64-20-9-24(42-6-5-23(35)40-33(42)47)61-21(20)11-59-65(51,52)53/h5-8,13-15,20-22,24-25,27-28,31,45H,9-12H2,1-4H3,(H,41,48)(H,54,55)(H2,35,40,47)(H2,36,37,38)(H2,51,52,53)",C34H44N10O20P2,974.221
3063,"2,3-Dihydro-2-thioxonaphth[2,1-d]oxazole-5-sulfonic acid (ACI)",763884-15-7,,19909437,"2,3-Dihydro-2-thioxonaphth[2,1-d]oxazole-5-sulfonic acid (ACI)",KTYQWMUNJOZPBA-UHFFFAOYSA-N,"2-sulfanylidene-3H-benzo[g][1,3]benzoxazole-5-sulfonic acid",O=S(=O)(O)C1=CC=2NC(=S)OC2C=3C=CC=CC31,"InChI=1S/C11H7NO4S2/c13-18(14,15)9-5-8-10(16-11(17)12-8)7-4-2-1-3-6(7)9/h1-5H,(H,12,17)(H,13,14,15)",C11H7NO4S2,280.982
3064,"9-Silaphenanthrene, 9,9-dichloro-9,10-dihydro- (9CI)",76470-26-3,,621985,"9-Silaphenanthrene, 9,9-dichloro-9,10-dihydro- (9CI)",SIWFNBBASPNIMJ-UHFFFAOYSA-N,"5,5-dichloro-6H-benzo[c][1]benzosiline",Cl[Si]1(Cl)C=2C=CC=CC2C=3C=CC=CC3C1,"InChI=1S/C13H10Cl2Si/c14-16(15)9-10-5-1-2-6-11(10)12-7-3-4-8-13(12)16/h1-8H,9H2",C13H10Cl2Si,263.993
3065,"Decane, 1-(ethenyloxy)-",765-05-9,DTXSID9061095,12999,"Decane, 1-(ethenyloxy)-",NSOAQRMLVFRWIT-UHFFFAOYSA-N,1-(Ethenyloxy)decane,CCCCCCCCCCOC=C,"InChI=1S/C12H24O/c1-3-5-6-7-8-9-10-11-12-13-4-2/h4H,2-3,5-12H2,1H3",C12H24O,184.1827154
3066,1-Bromotridecane,765-09-3,DTXSID6049355,13000,1-Bromotridecane,BFDNZQUBFCYTIC-UHFFFAOYSA-N,1-Bromotridecane,CCCCCCCCCCCCCBr,"InChI=1S/C13H27Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h2-13H2,1H3",C13H27Br,262.129614
3067,2-Ethylhexyl thioglycolate,7659-86-1,DTXSID4027656,24309,2-Ethylhexyl thioglycolate,OWHSTLLOZWTNTQ-UHFFFAOYSA-N,2-Ethylhexyl sulfanylacetate,CCCCC(CC)COC(=O)CS,"InChI=1S/C10H20O2S/c1-3-5-6-9(4-2)7-12-10(11)8-13/h9,13H,3-8H2,1-2H3",C10H20O2S,204.1184011
3068,"2,5-Furandione, 3,4-dimethyl-",766-39-2,DTXSID6061103,13010,"2,5-Furandione, 3,4-dimethyl-",MFGALGYVFGDXIX-UHFFFAOYSA-N,"3,4-Dimethylfuran-2,5-dione",CC1=C(C)C(=O)OC1=O,InChI=1S/C6H6O3/c1-3-4(2)6(8)9-5(3)7/h1-2H3,C6H6O3,126.0316941
3069,(z)-1-phenylpropene,766-90-5,DTXSID50880652,252324,(z)-1-phenylpropene,QROGIFZRVHSFLM-KXFIGUGUSA-N,[(1Z)-Prop-1-en-1-yl]benzene,C\C=C/C1=CC=CC=C1,"InChI=1S/C9H10/c1-2-6-9-7-4-3-5-8-9/h2-8H,1H3/b6-2-",C9H10,118.0782503
3070,Benzyl methyl sulfide,766-92-7,DTXSID1061106,13016,Benzyl methyl sulfide,OFQPKKGMNWASPN-UHFFFAOYSA-N,[(Methylsulfanyl)methyl]benzene,CSCC1=CC=CC=C1,"InChI=1S/C8H10S/c1-9-7-8-5-3-2-4-6-8/h2-6H,7H2,1H3",C8H10S,138.0503215
3071,Ammonia,7664-41-7,DTXSID0023872,222,Ammonia,QGZKDVFQNNGYKY-UHFFFAOYSA-N,Ammonia,N,InChI=1S/H3N/h1H3,H3N,17.0265491
3072,"Acetic acid, mercapto-, octyl ester",7664-80-4,DTXSID9064764,76023,"Acetic acid, mercapto-, octyl ester",MADOXCFISYCULS-UHFFFAOYSA-N,Octyl sulfanylacetate,CCCCCCCCOC(=O)CS,"InChI=1S/C10H20O2S/c1-2-3-4-5-6-7-8-12-10(11)9-13/h13H,2-9H2,1H3",C10H20O2S,204.1184011
3073,"1-Methyl-2,3-dihydro-1H-indene",767-58-8,DTXSID80862406,13023,"1-Methyl-2,3-dihydro-1H-indene",FIPKSKMDTAQBDJ-UHFFFAOYSA-N,"1-Methyl-2,3-dihydro-1H-indene",CC1CCC2=CC=CC=C12,"InChI=1S/C10H12/c1-8-6-7-9-4-2-3-5-10(8)9/h2-5,8H,6-7H2,1H3",C10H12,132.0939004
3074,1-Methyl-1H-indene,767-59-9,DTXSID50865464,13024,1-Methyl-1H-indene,LRTOHSLOFCWHRF-UHFFFAOYSA-N,1-Methyl-1H-indene,CC1C=CC2=C1C=CC=C2,"InChI=1S/C10H10/c1-8-6-7-9-4-2-3-5-10(8)9/h2-8H,1H3",C10H10,130.0782503
3075,1-bromoadamantane,768-90-1,DTXSID50880632,79106,1-Bromoadamantane,VQHPRVYDKRESCL-UHFFFAOYSA-N,1-Bromoadamantane,BrC12CC3CC(CC(C3)C1)C2,"InChI=1S/C10H15Br/c11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6H2",C10H15Br,214.035713
3076,1-Adamantanol,768-95-6,DTXSID10227620,64152,1-Adamantanol,VLLNJDMHDJRNFK-UHFFFAOYSA-N,Adamantan-1-ol,[H]C12CC3([H])CC([H])(C1)CC(O)(C2)C3,"InChI=1S/C10H16O/c11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9,11H,1-6H2",C10H16O,152.1201151
3077,"3a,9b-dimethyl-1,2,3a,4,5,9b-hexahydrocyclopenta[a]naphthalen-3-one",76803-93-5,DTXSID20880907,608004,"3a,9b-dimethyl-1,2,3a,4,5,9b-hexahydrocyclopenta[a]naphthalen-3-one",YPDBVSLKKQRURP-UHFFFAOYSA-N,"3a,9b-Dimethyl-1,2,3a,4,5,9b-hexahydro-3H-cyclopenta[a]naphthalen-3-one",CC12CCC(=O)C1(C)CCC1=CC=CC=C21,"InChI=1S/C15H18O/c1-14-10-8-13(16)15(14,2)9-7-11-5-3-4-6-12(11)14/h3-6H,7-10H2,1-2H3",C15H18O,214.1357652
3078,Benzoic acid--hex-2-en-1-ol (1/1),76841-70-8,DTXSID90824338,71403428,Benzoic acid--hex-2-en-1-ol (1/1),QFJRHTWDJOIOBT-UHFFFAOYSA-N,Benzoic acid--hex-2-en-1-ol (1/1),CCCC=CCO.OC(=O)C1=CC=CC=C1,"InChI=1S/C7H6O2.C6H12O/c8-7(9)6-4-2-1-3-5-6;1-2-3-4-5-6-7/h1-5H,(H,8,9);4-5,7H,2-3,6H2,1H3",C13H18O3,222.1255944
3079,Vinyl benzoate,769-78-8,DTXSID50227700,13037,Vinyl benzoate,KOZCZZVUFDCZGG-UHFFFAOYSA-N,Ethenyl benzoate,C=COC(=O)C1=CC=CC=C1,"InChI=1S/C9H8O2/c1-2-11-9(10)8-6-4-3-5-7-8/h2-7H,1H2",C9H8O2,148.0524295
3080,"1-Phenanthrenecarboselenoic acid, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, Se-phenyl ester, [1R-(1?,4a?,4b?,10a?)]- (9CI)",76920-33-7,,22295367,"1-Phenanthrenecarboselenoic acid, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, Se-phenyl ester, [1R-(1?,4a?,4b?,10a?)]- (9CI)",HFNCHZWHAVNVKD-BKJQLSFMSA-N,"Se-phenyl (1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboselenoate",O=C([Se]C=1C=CC=CC1)C2(C)CCCC3(C)C4C(C=C(CC4)C(C)C)=CCC23,"InChI=1S/C26H34OSe/c1-18(2)19-11-13-22-20(17-19)12-14-23-25(22,3)15-8-16-26(23,4)24(27)28-21-9-6-5-7-10-21/h5-7,9-10,12,17-18,22-23H,8,11,13-16H2,1-4H3",C26H34OSe,442.177
3081,"1,2-Diphenylcyclobutane, cis-",7694-30-6,DTXSID00227730,111326,"1,2-Diphenylcyclobutane, cis-",AERGGMDNGDDGPI-IYBDPMFKSA-N,"1,1'-[(1R,2S)-Cyclobutane-1,2-diyl]dibenzene",C1C[C@H]([C@H]1C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C16H16/c1-3-7-13(8-4-1)15-11-12-16(15)14-9-5-2-6-10-14/h1-10,15-16H,11-12H2/t15-,16+",C16H16,208.1252005
3082,Bisphenol B,77-40-7,DTXSID4022442,66166,Bisphenol B,HTVITOHKHWFJKO-UHFFFAOYSA-N,"4,4'-(Butane-2,2-diyl)diphenol",CCC(C)(C1=CC=C(O)C=C1)C1=CC=C(O)C=C1,"InChI=1S/C16H18O2/c1-3-16(2,12-4-8-14(17)9-5-12)13-6-10-15(18)11-7-13/h4-11,17-18H,3H2,1-2H3",C16H18O2,242.1306798
3083,(+)-Cedrol,77-53-2,DTXSID1041269,65575,(+)-Cedrol,SVURIXNDRWRAFU-OGMFBOKVSA-N,8alpha-Cedran-8-ol,[H][C@@]12CC[C@@H](C)[C@]11C[C@]([H])(C2(C)C)[C@](C)(O)CC1,"InChI=1S/C15H26O/c1-10-5-6-11-13(2,3)12-9-15(10,11)8-7-14(12,4)16/h10-12,16H,5-9H2,1-4H3/t10-,11+,12-,14-,15+/m1/s1",C15H26O,222.1983655
3084,"3-Hydroxy-2,2,4-trimethylpentyl 2-methylpropanoate",77-68-9,DTXSID10872295,6490,"3-Hydroxy-2,2,4-trimethylpentyl 2-methylpropanoate",DAFHKNAQFPVRKR-UHFFFAOYSA-N,"3-Hydroxy-2,2,4-trimethylpentyl 2-methylpropanoate",CC(C)C(O)C(C)(C)COC(=O)C(C)C,"InChI=1S/C12H24O3/c1-8(2)10(13)12(5,6)7-15-11(14)9(3)4/h8-10,13H,7H2,1-6H3",C12H24O3,216.1725446
3085,Dicyclopentadiene,77-73-6,DTXSID5025023,6492,Dicyclopentadiene,HECLRDQVFMWTQS-UHFFFAOYSA-N,"3a,4,7,7a-Tetrahydro-1H-4,7-methanoindene",C1C=CC2C3CC(C=C3)C12,"InChI=1S/C10H12/c1-2-9-7-4-5-8(6-7)10(9)3-1/h1-2,4-5,7-10H,3,6H2",C10H12,132.0939004
3086,3-Methyl-3-pentanol,77-74-7,DTXSID0021755,6493,3-Methyl-3-pentanol,FRDAATYAJDYRNW-UHFFFAOYSA-N,3-Methylpentan-3-ol,CCC(C)(O)CC,"InChI=1S/C6H14O/c1-4-6(3,7)5-2/h7H,4-5H2,1-3H3",C6H14O,102.1044651
3087,"Citric acid, triethyl ester, acetate",77-89-4,DTXSID5044576,6504,"Citric acid, triethyl ester, acetate",WEAPVABOECTMGR-UHFFFAOYSA-N,"Triethyl 2-(acetyloxy)propane-1,2,3-tricarboxylate",CCOC(=O)CC(CC(=O)OCC)(OC(C)=O)C(=O)OCC,"InChI=1S/C14H22O8/c1-5-19-11(16)8-14(22-10(4)15,13(18)21-7-3)9-12(17)20-6-2/h5-9H2,1-4H3",C14H22O8,318.1314677
3088,Acetyl tributyl citrate,77-90-7,DTXSID2026446,6505,Acetyl tributyl citrate,QZCLKYGREBVARF-UHFFFAOYSA-N,"Tributyl 2-(acetyloxy)propane-1,2,3-tricarboxylate",CCCCOC(=O)CC(CC(=O)OCCCC)(OC(C)=O)C(=O)OCCCC,"InChI=1S/C20H34O8/c1-5-8-11-25-17(22)14-20(28-16(4)21,19(24)27-13-10-7-3)15-18(23)26-12-9-6-2/h5-15H2,1-4H3",C20H34O8,402.2253681
3089,Triethyl citrate,77-93-0,DTXSID0040701,6506,Triethyl citrate,DOOTYTYQINUNNV-UHFFFAOYSA-N,"Triethyl 2-hydroxypropane-1,2,3-tricarboxylate",CCOC(=O)CC(O)(CC(=O)OCC)C(=O)OCC,"InChI=1S/C12H20O7/c1-4-17-9(13)7-12(16,11(15)19-6-3)8-10(14)18-5-2/h16H,4-8H2,1-3H3",C12H20O7,276.120903
3090,Tributyl citrate,77-94-1,DTXSID5051442,6507,Tributyl citrate,ZFOZVQLOBQUTQQ-UHFFFAOYSA-N,"Tributyl 2-hydroxypropane-1,2,3-tricarboxylate",CCCCOC(=O)CC(O)(CC(=O)OCCCC)C(=O)OCCCC,"InChI=1S/C18H32O7/c1-4-7-10-23-15(19)13-18(22,17(21)25-12-9-6-3)14-16(20)24-11-8-5-2/h22H,4-14H2,1-3H3",C18H32O7,360.2148034
3091,"2-Ethyl-2-(hydroxymethyl)-1,3-propanediol",77-99-6,DTXSID2026448,6510,"2-Ethyl-2-(hydroxymethyl)-1,3-propanediol",ZJCCRDAZUWHFQH-UHFFFAOYSA-N,"2-Ethyl-2-(hydroxymethyl)propane-1,3-diol",CCC(CO)(CO)CO,"InChI=1S/C6H14O3/c1-2-6(3-7,4-8)5-9/h7-9H,2-5H2,1H3",C6H14O3,134.0942943
3092,1-Phenoxy-2-propanol,770-35-4,DTXSID9027312,92839,1-Phenoxy-2-propanol,IBLKWZIFZMJLFL-UHFFFAOYSA-N,1-Phenoxypropan-2-ol,CC(O)COC1=CC=CC=C1,"InChI=1S/C9H12O2/c1-8(10)7-11-9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3",C9H12O2,152.0837296
3093,1-Phenyl-1-cyclohexene,771-98-2,DTXSID10870771,13043,1-Phenyl-1-cyclohexene,WCMSFBRREKZZFL-UHFFFAOYSA-N,"2,3,4,5-Tetrahydro-1,1'-biphenyl",C1CCC(=CC1)C1=CC=CC=C1,"InChI=1S/C12H14/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1,3-4,7-9H,2,5-6,10H2",C12H14,158.1095505
3094,"2-Methyl-5-(1,1,5-trimethyl-5-hexen-1-yl)furan (ACI)",77143-15-8,,579804,"2-Methyl-5-(1,1,5-trimethyl-5-hexen-1-yl)furan (ACI)",GHWXKPRRVHJBAE-UHFFFAOYSA-N,"2-(2,6-dimethylhept-6-en-2-yl)-5-methylfuran",O1C(=CC=C1C(C)(C)CCCC(=C)C)C,"InChI=1S/C14H22O/c1-11(2)7-6-10-14(4,5)13-9-8-12(3)15-13/h8-9H,1,6-7,10H2,2-5H3",C14H22O,206.167
3095,n-(2-Hydroxyethyl)-decanamide,7726-08-1,DTXSID10867747,111739,n-(2-Hydroxyethyl)-decanamide,LMVSBYPDMNAXPF-UHFFFAOYSA-N,N-(2-Hydroxyethyl)decanamide,CCCCCCCCCC(=O)NCCO,"InChI=1S/C12H25NO2/c1-2-3-4-5-6-7-8-9-12(15)13-10-11-14/h14H,2-11H2,1H3,(H,13,15)",C12H25NO2,215.188529
3096,Water,7732-18-5,DTXSID6026296,962,Water,XLYOFNOQVPJJNP-UHFFFAOYSA-N,Water,O,InChI=1S/H2O/h1H2,H2O,18.01056468
3097,"1,2,3,4-Tetrahydro-4-methyl-4-phenanthrenol (ACI)",77536-58-4,,606653,"1,2,3,4-Tetrahydro-4-methyl-4-phenanthrenol (ACI)",MJMYLBVZKHOKNQ-UHFFFAOYSA-N,"4-methyl-2,3-dihydro-1H-phenanthren-4-ol",OC1(C=2C=3C=CC=CC3C=CC2CCC1)C,"InChI=1S/C15H16O/c1-15(16)10-4-6-12-9-8-11-5-2-3-7-13(11)14(12)15/h2-3,5,7-9,16H,4,6,10H2,1H3",C15H16O,212.12
3098,"3-Methylbutyl pentyl (~2~H_4_)benzene-1,2-dicarboxylate",776297-69-9,DTXSID90998846,71307505,Isopentyl pentyl phthalate,MCXWUHMDAJQKBI-UHFFFAOYSA-N,"3-Methylbutyl pentyl (~2~H_4_)benzene-1,2-dicarboxylate",CCCCCOC(=O)C1=CC=CC=C1C(=O)OCCC(C)C,"InChI=1S/C18H26O4/c1-4-5-8-12-21-17(19)15-9-6-7-10-16(15)18(20)22-13-11-14(2)3/h6-7,9-10,14H,4-5,8,11-13H2,1-3H3",C18H26O4,306.1831093
3099,"1,6-Dioxacyclododecane-7,12-dione",777-95-7,DTXSID70228330,13064,"1,6-Dioxacyclododecane-7,12-dione",AXKZIDYFAMKWSA-UHFFFAOYSA-N,"1,6-Dioxacyclododecane-7,12-dione",O=C1CCCCC(=O)OCCCCO1,InChI=1S/C10H16O4/c11-9-5-1-2-6-10(12)14-8-4-3-7-13-9/h1-8H2,C10H16O4,200.104859
3100,Methyl 5-chloro-2-[[(2-chlorophenyl)imino]phenylmethoxy]benzoate (ACI),77745-37-0,,611872,Methyl 5-chloro-2-[[(2-chlorophenyl)imino]phenylmethoxy]benzoate (ACI),NEOHCXNOLBXCIV-UHFFFAOYSA-N,methyl 5-chloro-2-[N-(2-chlorophenyl)-C-phenylcarbonimidoyl]oxybenzoate,O=C(OC)C1=CC(Cl)=CC=C1OC(=NC=2C=CC=CC2Cl)C=3C=CC=CC3,"InChI=1S/C21H15Cl2NO3/c1-26-21(25)16-13-15(22)11-12-19(16)27-20(14-7-3-2-4-8-14)24-18-10-6-5-9-17(18)23/h2-13H,1H3",C21H15Cl2NO3,399.043
3101,"1-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-1-penten-3-one",7779-30-8,DTXSID6026240,61071,"1-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-1-penten-3-one",VPKMGDRERYMTJX-UHFFFAOYSA-N,"1-(2,6,6-Trimethylcyclohex-2-en-1-yl)pent-1-en-3-one",CCC(=O)C=CC1C(C)=CCCC1(C)C,"InChI=1S/C14H22O/c1-5-12(15)8-9-13-11(2)7-6-10-14(13,3)4/h7-9,13H,5-6,10H2,1-4H3",C14H22O,206.1670653
3102,(-)-alpha-Pinene,7785-26-4,DTXSID2029290,440968,(-)-alpha-Pinene,GRWFGVWFFZKLTI-IUCAKERBSA-N,"(1S,5S)-2,6,6-Trimethylbicyclo[3.1.1]hept-2-ene",CC1=CC[C@H]2C[C@@H]1C2(C)C,"InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3/t8-,9-/m0/s1",C10H16,136.1252005
3103,(+)-alpha-Pinene,7785-70-8,DTXSID7041671,82227,(+)-alpha-Pinene,GRWFGVWFFZKLTI-RKDXNWHRSA-N,"(1R,5R)-2,6,6-Trimethylbicyclo[3.1.1]hept-2-ene",CC1=CC[C@@H]2C[C@H]1C2(C)C,"InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3/t8-,9-/m1/s1",C10H16,136.1252005
3104,5-Methyl-2-(prop-1-en-2-yl)cyclohexanol,7786-67-6,DTXSID3044461,24585,5-Methyl-2-(1-methylethenyl)cyclohexanol,ZYTMANIQRDEHIO-UHFFFAOYSA-N,5-Methyl-2-(prop-1-en-2-yl)cyclohexan-1-ol,CC1CCC(C(O)C1)C(C)=C,"InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h8-11H,1,4-6H2,2-3H3",C10H18O,154.1357652
3105,1-Octanesulfonyl chloride,7795-95-1,DTXSID4027658,82261,1-Octanesulfonyl chloride,WIVNTNLDTMNDNO-UHFFFAOYSA-N,Octane-1-sulfonyl chloride,CCCCCCCCS(Cl)(=O)=O,"InChI=1S/C8H17ClO2S/c1-2-3-4-5-6-7-8-12(9,10)11/h2-8H2,1H3",C8H17ClO2S,212.0637787
3106,Ethenyl(triethoxy)silane,78-08-0,DTXSID3044463,6516,Ethenyl(triethoxy)silane,FWDBOZPQNFPOLF-UHFFFAOYSA-N,Ethenyl(triethoxy)silane,CCO[Si](OCC)(OCC)C=C,"InChI=1S/C8H18O3Si/c1-5-9-12(8-4,10-6-2)11-7-3/h8H,4-7H2,1-3H3",C8H18O3Si,190.102521
3107,Tetraethyl orthosilicate,78-10-4,DTXSID6026450,6517,Tetraethyl orthosilicate,BOTDANWDWHJENH-UHFFFAOYSA-N,Tetraethyl orthosilicate,CCO[Si](OCC)(OCC)OCC,"InChI=1S/C8H20O4Si/c1-5-9-13(10-6-2,11-7-3)12-8-4/h5-8H2,1-4H3",C8H20O4Si,208.1130857
3108,Tri-o-cresyl phosphate,78-30-8,DTXSID6032192,6527,Tri-o-cresyl phosphate,YSMRWXYRXBRSND-UHFFFAOYSA-N,Tris(2-methylphenyl) phosphate,CC1=C(OP(=O)(OC2=C(C)C=CC=C2)OC2=C(C)C=CC=C2)C=CC=C1,"InChI=1S/C21H21O4P/c1-16-10-4-7-13-19(16)23-26(22,24-20-14-8-5-11-17(20)2)25-21-15-9-6-12-18(21)3/h4-15H,1-3H3",C21H21O4P,368.1177462
3109,Diphenyl 4-tolyl phosphate,78-31-9,DTXSID70274039,6528,Diphenyl 4-tolyl phosphate,OJUZRFGUKHQNJX-UHFFFAOYSA-N,4-Methylphenyl diphenyl phosphate,CC1=CC=C(OP(=O)(OC2=CC=CC=C2)OC2=CC=CC=C2)C=C1,"InChI=1S/C19H17O4P/c1-16-12-14-19(15-13-16)23-24(20,21-17-8-4-2-5-9-17)22-18-10-6-3-7-11-18/h2-15H,1H3",C19H17O4P,340.086446
3110,Tris(4-methylphenyl) phosphate,78-32-0,DTXSID5052676,6529,Tris(4-methylphenyl) phosphate,BOSMZFBHAYFUBJ-UHFFFAOYSA-N,Tris(4-methylphenyl) phosphate,CC1=CC=C(OP(=O)(OC2=CC=C(C)C=C2)OC2=CC=C(C)C=C2)C=C1,"InChI=1S/C21H21O4P/c1-16-4-10-19(11-5-16)23-26(22,24-20-12-6-17(2)7-13-20)25-21-14-8-18(3)9-15-21/h4-15H,1-3H3",C21H21O4P,368.1177462
3111,Tris(4-tert-butylphenyl) phosphate,78-33-1,DTXSID3051466,6530,Tris(4-tert-butylphenyl) phosphate,LORSVOJSXMHDHF-UHFFFAOYSA-N,Tris(4-tert-butylphenyl) phosphate,CC(C)(C)C1=CC=C(OP(=O)(OC2=CC=C(C=C2)C(C)(C)C)OC2=CC=C(C=C2)C(C)(C)C)C=C1,"InChI=1S/C30H39O4P/c1-28(2,3)22-10-16-25(17-11-22)32-35(31,33-26-18-12-23(13-19-26)29(4,5)6)34-27-20-14-24(15-21-27)30(7,8)9/h10-21H,1-9H3",C30H39O4P,494.2585967
3112,"Butanoic acid, 1-ethenyl-1,5-dimethyl-4-hexen-1-yl ester",78-36-4,DTXSID20861635,62321,"Butanoic acid, 1-ethenyl-1,5-dimethyl-4-hexen-1-yl ester",FHLGUOHLUFIAAA-UHFFFAOYSA-N,"3,7-Dimethylocta-1,6-dien-3-yl butanoate",CCCC(=O)OC(C)(CCC=C(C)C)C=C,"InChI=1S/C14H24O2/c1-6-9-13(15)16-14(5,7-2)11-8-10-12(3)4/h7,10H,2,6,8-9,11H2,1,3-5H3",C14H24O2,224.17763
3113,Triethyl phosphate,78-40-0,DTXSID8026228,6535,Triethyl phosphate,DQWPFSLDHJDLRL-UHFFFAOYSA-N,Triethyl phosphate,CCOP(=O)(OCC)OCC,"InChI=1S/C6H15O4P/c1-4-8-11(7,9-5-2)10-6-3/h4-6H2,1-3H3",C6H15O4P,182.070796
3114,Tris(2-ethylhexyl) phosphate,78-42-2,DTXSID0021414,6537,Tris(2-ethylhexyl) phosphate,GTVWRXDRKAHEAD-UHFFFAOYSA-N,Tris(2-ethylhexyl) phosphate,CCCCC(CC)COP(=O)(OCC(CC)CCCC)OCC(CC)CCCC,"InChI=1S/C24H51O4P/c1-7-13-16-22(10-4)19-26-29(25,27-20-23(11-5)17-14-8-2)28-21-24(12-6)18-15-9-3/h22-24H,7-21H2,1-6H3",C24H51O4P,434.3524971
3115,Tris(2-butoxyethyl) phosphate,78-51-3,DTXSID5021758,6540,Tris(2-butoxyethyl) phosphate,WTLBZVNBAKMVDP-UHFFFAOYSA-N,Tris(2-butoxyethyl) phosphate,CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC,"InChI=1S/C18H39O7P/c1-4-7-10-20-13-16-23-26(19,24-17-14-21-11-8-5-2)25-18-15-22-12-9-6-3/h4-18H2,1-3H3",C18H39O7P,398.2433406
3116,Isophorone,78-59-1,DTXSID8020759,6544,Isophorone,HJOVHMDZYOCNQW-UHFFFAOYSA-N,"3,5,5-Trimethylcyclohex-2-en-1-one",CC1=CC(=O)CC(C)(C)C1,"InChI=1S/C9H14O/c1-7-4-8(10)6-9(2,3)5-7/h4H,5-6H2,1-3H3",C9H14O,138.1044651
3117,Azobisisobutyronitrile,78-67-1,DTXSID1026457,6547,Azobisisobutyronitrile,OZAIFHULBGXAKX-UHFFFAOYSA-N,"2,2'-Diazenediylbis(2-methylpropanenitrile)",CC(C)(N=NC(C)(C)C#N)C#N,"InChI=1S/C8H12N4/c1-7(2,5-9)11-12-8(3,4)6-10/h1-4H3",C8H12N4,164.1061964
3118,"3,7-Dimethyl-3-octanol",78-69-3,DTXSID7029110,6548,"3,7-Dimethyl-3-octanol",DLHQZZUEERVIGQ-UHFFFAOYSA-N,"3,7-Dimethyloctan-3-ol",CCC(C)(O)CCCC(C)C,"InChI=1S/C10H22O/c1-5-10(4,11)8-6-7-9(2)3/h9,11H,5-8H2,1-4H3",C10H22O,158.1670653
3119,Linalool,78-70-6,DTXSID7025502,6549,Linalool,CDOSHBSSFJOMGT-UHFFFAOYSA-N,"3,7-Dimethylocta-1,6-dien-3-ol",CC(C)=CCCC(C)(O)C=C,"InChI=1S/C10H18O/c1-5-10(4,11)8-6-7-9(2)3/h5,7,11H,1,6,8H2,2-4H3",C10H18O,154.1357652
3120,Isoprene,78-79-5,DTXSID2020761,6557,Isoprene,RRHGJUQNOFWUDK-UHFFFAOYSA-N,"2-Methylbuta-1,3-diene",CC(=C)C=C,"InChI=1S/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3",C5H8,68.06260026
3121,2-Methyl-1-propanol,78-83-1,DTXSID0021759,6560,2-Methyl-1-propanol,ZXEKIIBDNHEJCQ-UHFFFAOYSA-N,2-Methylpropan-1-ol,CC(C)CO,"InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3",C4H10O,74.07316494
3122,"1,2-Dichloropropane",78-87-5,DTXSID0020448,6564,"1,2-Dichloropropane",KNKRKFALVUDBJE-UHFFFAOYSA-N,"1,2-Dichloropropane",CC(Cl)CCl,"InChI=1S/C3H6Cl2/c1-3(5)2-4/h3H,2H2,1H3",C3H6Cl2,111.9846556
3123,2-Chloro-1-propanol,78-89-7,DTXSID5052541,6566,2-Chloro-1-propanol,VZIQXGLTRZLBEX-UHFFFAOYSA-N,2-Chloropropan-1-ol,CC(Cl)CO,"InChI=1S/C3H7ClO/c1-3(4)2-5/h3,5H,2H2,1H3",C3H7ClO,94.0185425
3124,Methyl ethyl ketone,78-93-3,DTXSID3021516,6569,Methyl ethyl ketone,ZWEHNKRNPOVVGH-UHFFFAOYSA-N,Butan-2-one,CCC(C)=O,"InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3",C4H8O,72.05751488
3125,1-Chloropropan-2-one,78-95-5,DTXSID0021547,6571,1-Chloropropan-2-one,BULLHNJGPPOUOX-UHFFFAOYSA-N,1-Chloropropan-2-one,CC(=O)CCl,"InChI=1S/C3H5ClO/c1-3(5)2-4/h2H2,1H3",C3H5ClO,92.0028925
3126,Methyl glyoxal,78-98-8,DTXSID0021628,880,Methyl glyoxal,AIJULSRZWUXGPQ-UHFFFAOYSA-N,2-Oxopropanal,CC(=O)C=O,"InChI=1S/C3H4O2/c1-3(5)2-4/h2H,1H3",C3H4O2,72.02112937
3127,"Benzenemethanamine, N-(phenylmethylene)-",780-25-6,DTXSID3061136,95831,"Benzenemethanamine, N-(phenylmethylene)-",MIYKHJXFICMPOJ-UHFFFAOYSA-N,N-Benzyl-1-phenylmethanimine,C(N=CC1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C14H13N/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14/h1-11H,12H2",C14H13N,195.1047994
3128,1-(adamantyl)cyclohexene,78053-16-4,DTXSID30880670,584505,1-(adamantyl)cyclohexene,XUYIJVAWBBIZSC-UHFFFAOYSA-N,1-(Cyclohex-1-en-1-yl)adamantane,C1CCC(=CC1)C12CC3CC(CC(C3)C1)C2,"InChI=1S/C16H24/c1-2-4-15(5-3-1)16-9-12-6-13(10-16)8-14(7-12)11-16/h4,12-14H,1-3,5-11H2",C16H24,216.1878008
3129,"3-Buten-2-one, 4-[5-(acetyloxy)-2,2,6-trimethyl-7-oxabicyclo[4.1.0]hept-1-yl]-, [1?(E),5?,6?]- (9CI)",78091-76-6,,,"3-Buten-2-one, 4-[5-(acetyloxy)-2,2,6-trimethyl-7-oxabicyclo[4.1.0]hept-1-yl]-, [1?(E),5?,6?]- (9CI)",DTLIHXBPFODSEI-XLLRBVPFNA-N,,O=C(OC1CCC(C)(C)C2(OC12C)C=CC(=O)C)C,"InChI=1S/C15H22O4/c1-10(16)6-9-15-13(3,4)8-7-12(18-11(2)17)14(15,5)19-15/h6,9,12H,7-8H2,1-5H3",,
3130,"2-Methyl-1,1-diphenylpropene",781-33-9,DTXSID80282761,231517,"2-Methyl-1,1-diphenylpropene",JHLNLKYQTWQERE-UHFFFAOYSA-N,"1,1'-(2-Methylprop-1-ene-1,1-diyl)dibenzene",CC(C)=C(C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C16H16/c1-13(2)16(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12H,1-2H3",C16H16,208.1252005
3131,"2-Propanone, 1,1-diphenyl-",781-35-1,DTXSID8061137,69907,"2-Propanone, 1,1-diphenyl-",DBNWBEGCONIRGQ-UHFFFAOYSA-N,"1,1-Diphenylpropan-2-one",CC(=O)C(C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C15H14O/c1-12(16)15(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11,15H,1H3",C15H14O,210.1044651
3132,"9,10-Dimethylanthracene",781-43-1,DTXSID8073928,13076,"9,10-Dimethylanthracene",JTGMTYWYUZDRBK-UHFFFAOYSA-N,"9,10-Dimethylanthracene",CC1=C2C=CC=CC2=C(C)C2=CC=CC=C12,"InChI=1S/C16H14/c1-11-13-7-3-5-9-15(13)12(2)16-10-6-4-8-14(11)16/h3-10H,1-2H3",C16H14,206.1095505
3133,1-Methyl-3-(1-methylethyl)-2(1H)-pyrazinone (ACI),78210-68-1,,529437,1-Methyl-3-(1-methylethyl)-2(1H)-pyrazinone (ACI),DPPMIAOELVJMCJ-UHFFFAOYSA-N,1-methyl-3-propan-2-ylpyrazin-2-one,O=C1C(=NC=CN1C)C(C)C,"InChI=1S/C8H12N2O/c1-6(2)7-8(11)10(3)5-4-9-7/h4-6H,1-3H3",C8H12N2O,152.095
3134,Monobutyltin ion,78763-54-9,DTXSID10879789,20468899,Monobutyltin ion,ZJMYWUHJLGCXKC-UHFFFAOYSA-N,,CCCCC[Sn+3],"InChI=1S/C5H11.Sn/c1-3-5-4-2;/h1,3-5H2,2H3;/q;+3",C5H11Sn,190.986632
3135,"carbazole, 2,3,5-trimethyl-",78787-85-6,DTXSID70880811,610654,"carbazole, 2,3,5-trimethyl-",XRASCGVLJXKEHA-UHFFFAOYSA-N,"2,3,5-Trimethyl-9H-carbazole",CC1=CC=CC2=C1C1=CC(C)=C(C)C=C1N2,"InChI=1S/C15H15N/c1-9-5-4-6-13-15(9)12-7-10(2)11(3)8-14(12)16-13/h4-8,16H,1-3H3",C15H15N,209.1204495
3136,"1,1,2-Trichloroethane",79-00-5,DTXSID5021380,6574,"1,1,2-Trichloroethane",UBOXGVDOUJQMTN-UHFFFAOYSA-N,"1,1,2-Trichloroethane",ClCC(Cl)Cl,"InChI=1S/C2H3Cl3/c3-1-2(4)5/h2H,1H2",C2H3Cl3,131.9300332
3137,Trichloroethylene,79-01-6,DTXSID0021383,6575,Trichloroethylene,XSTXAVWGXDQKEL-UHFFFAOYSA-N,"1,1,2-Trichloroethene",ClC=C(Cl)Cl,InChI=1S/C2HCl3/c3-1-2(4)5/h1H,C2HCl3,129.9143831
3138,Acrylamide,79-06-1,DTXSID5020027,6579,Acrylamide,HRPVXLWXLXDGHG-UHFFFAOYSA-N,Prop-2-enamide,NC(=O)C=C,"InChI=1S/C3H5NO/c1-2-3(4)5/h2H,1H2,(H2,4,5)",C3H5NO,71.03711379
3139,Propionic acid,79-09-4,DTXSID8025961,1032,Propionic acid,XBDQKXXYIPTUBI-UHFFFAOYSA-N,Propanoic acid,CCC(O)=O,"InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)",C3H6O2,74.03677943
3140,Acrylic acid,79-10-7,DTXSID0039229,19966351,Acrylic acid,NIXOWILDQLNWCW-UHFFFAOYSA-N,Prop-2-enoic acid,OC(=O)C=C,"InChI=1S/C3H4O2/c1-2-3(4)5/h2H,1H2,(H,4,5)",C3H4O2,72.02112937
3141,Methyl acetate,79-20-9,DTXSID4021767,6584,Methyl acetate,KXKVLQRXCPHEJC-UHFFFAOYSA-N,Methyl acetate,COC(C)=O,InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3,C3H6O2,74.03677943
3142,(S)-Lactic acid,79-33-4,DTXSID6034689,107689,(S)-Lactic acid,JVTAAEKCZFNVCJ-REOHCLBHSA-N,(2S)-2-Hydroxypropanoic acid,C[C@H](O)C(O)=O,"InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/t2-/m0/s1",C3H6O3,90.03169405
3143,"1,1,2,2-Tetrachloroethane",79-34-5,DTXSID7021318,6591,"1,1,2,2-Tetrachloroethane",QPFMBZIOSGYJDE-UHFFFAOYSA-N,"1,1,2,2-Tetrachloroethane",ClC(Cl)C(Cl)Cl,InChI=1S/C2H2Cl4/c3-1(4)2(5)6/h1-2H,C2H2Cl4,165.8910609
3144,Dimethylcarbamoyl chloride,79-44-7,DTXSID1020512,6598,Dimethylcarbamoyl chloride,YIIMEMSDCNDGTB-UHFFFAOYSA-N,Dimethylcarbamoyl chloride,CN(C)C(Cl)=O,InChI=1S/C3H6ClNO/c1-5(2)3(4)6/h1-2H3,C3H6ClNO,107.0137915
3145,2-Nitropropane,79-46-9,DTXSID6020981,398,2-Nitropropane,FGLBSLMDCBOPQK-UHFFFAOYSA-N,2-Nitropropane,CC(C)[N+]([O-])=O,"InChI=1S/C3H7NO2/c1-3(2)4(5)6/h3H,1-2H3",C3H7NO2,89.04767847
3146,beta-Ionone,79-77-6,DTXSID4021769,638014,beta-Ionone,PSQYTAPXSHCGMF-BQYQJAHWSA-N,"(3E)-4-(2,6,6-Trimethylcyclohex-1-en-1-yl)but-3-en-2-one",CC(=O)\C=C\C1=C(C)CCCC1(C)C,"InChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h7-8H,5-6,9H2,1-4H3/b8-7+",C13H20O,192.1514153
3147,Camphene,79-92-5,DTXSID8026488,6616,Camphene,CRPUJAZIXJMDBK-UHFFFAOYSA-N,"2,2-Dimethyl-3-methylidenebicyclo[2.2.1]heptane",CC1(C)C2CCC(C2)C1=C,"InChI=1S/C10H16/c1-7-8-4-5-9(6-8)10(7,2)3/h8-9H,1,4-6H2,2-3H3",C10H16,136.1252005
3148,"3,3',5,5'-Tetrabromobisphenol A",79-94-7,DTXSID1026081,6618,"3,3',5,5'-Tetrabromobisphenol A",VEORPZCZECFIRK-UHFFFAOYSA-N,"4,4'-(Propane-2,2-diyl)bis(2,6-dibromophenol)",CC(C)(C1=CC(Br)=C(O)C(Br)=C1)C1=CC(Br)=C(O)C(Br)=C1,"InChI=1S/C15H12Br4O2/c1-15(2,7-3-9(16)13(20)10(17)4-7)8-5-11(18)14(21)12(19)6-8/h3-6,20-21H,1-2H3",C15H12Br4O2,539.757082
3149,"1,3:2,4-Bis-O-[(4-ethylphenyl)methylene]hexitol",79072-96-1,DTXSID50893646,9866479,"1,3:2,4-Bis-O-[(4-ethylphenyl)methylene]hexitol",RPMMDFYGVMKCJU-UHFFFAOYSA-N,"1-[2,6-Bis(4-ethylphenyl)tetrahydro-2H,6H-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl]ethane-1,2-diol",CCC1=CC=C(C=C1)C1OCC2OC(OC(C(O)CO)C2O1)C1=CC=C(CC)C=C1,"InChI=1S/C24H30O6/c1-3-15-5-9-17(10-6-15)23-27-14-20-22(30-23)21(19(26)13-25)29-24(28-20)18-11-7-16(4-2)8-12-18/h5-12,19-26H,3-4,13-14H2,1-2H3",C24H30O6,414.2042387
3150,Triphenylphosphine oxide,791-28-6,DTXSID2022121,13097,Triphenylphosphine oxide,FIQMHBFVRAXMOP-UHFFFAOYSA-N,Oxo(triphenyl)-lambda~5~-phosphane,O=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C18H15OP/c19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H",C18H15OP,278.0860521
3151,"2H-Thiopyran, tetrahydro-2-methyl-4-pentyl-, 1,1-dioxide, (2R,4S)-rel- (ACI)",79164-29-7,,,"2H-Thiopyran, tetrahydro-2-methyl-4-pentyl-, 1,1-dioxide, (2R,4S)-rel- (ACI)",YQIYUFDLPHPEEO-WIBLRKLZNA-N,,O=S1(=O)CCC(CCCCC)CC1C,"InChI=1S/C11H22O2S/c1-3-4-5-6-11-7-8-14(12,13)10(2)9-11/h10-11H,3-9H2,1-2H3",,
3152,dispiro[4.2.4.2]tetradecane,79273-13-5,DTXSID70880679,584607,dispiro[4.2.4.2]tetradecane,LGBNIYXMVIBRAO-UHFFFAOYSA-N,Dispiro[4.2.4~8~.2~5~]tetradecane,C1CCC2(C1)CCC1(CCCC1)CC2,InChI=1S/C14H24/c1-2-6-13(5-1)9-11-14(12-10-13)7-3-4-8-14/h1-12H2,C14H24,192.1878008
3153,5-Hydroxybisphenol,79371-66-7,DTXSID20349640,656689,5-Hydroxybisphenol,YGFAMQHMUSBLBC-UHFFFAOYSA-N,"4-[2-(4-Hydroxyphenyl)propan-2-yl]benzene-1,2-diol",CC(C)(C1=CC=C(O)C=C1)C1=CC(O)=C(O)C=C1,"InChI=1S/C15H16O3/c1-15(2,10-3-6-12(16)7-4-10)11-5-8-13(17)14(18)9-11/h3-9,16-18H,1-2H3",C15H16O3,244.1099444
3154,Bisphenol A,80-05-7,DTXSID7020182,6623,Bisphenol A,IISBACLAFKSPIT-UHFFFAOYSA-N,"4,4'-(Propane-2,2-diyl)diphenol",CC(C)(C1=CC=C(O)C=C1)C1=CC=C(O)C=C1,"InChI=1S/C15H16O2/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12/h3-10,16-17H,1-2H3",C15H16O2,228.1150298
3155,"4,4'-Dichlorodiphenyl sulfone",80-07-9,DTXSID9024986,6625,"4,4'-Dichlorodiphenyl sulfone",GPAPPPVRLPGFEQ-UHFFFAOYSA-N,"1,1'-Sulfonylbis(4-chlorobenzene)",ClC1=CC=C(C=C1)S(=O)(=O)C1=CC=C(Cl)C=C1,"InChI=1S/C12H8Cl2O2S/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h1-8H",C12H8Cl2O2S,285.9622061
3156,Dapsone,80-08-0,DTXSID4020371,2955,Dapsone,MQJKPEGWNLWLTK-UHFFFAOYSA-N,"4,4'-Sulfonyldianiline",NC1=CC=C(C=C1)S(=O)(=O)C1=CC=C(N)C=C1,"InChI=1S/C12H12N2O2S/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h1-8H,13-14H2",C12H12N2O2S,248.0619488
3157,"4,4'-Sulfonyldiphenol",80-09-1,DTXSID3022409,6626,"4,4'-Sulfonyldiphenol",VPWNQTHUCYMVMZ-UHFFFAOYSA-N,"4,4'-Sulfonyldiphenol",OC1=CC=C(C=C1)S(=O)(=O)C1=CC=C(O)C=C1,"InChI=1S/C12H10O4S/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h1-8,13-14H",C12H10O4S,250.02998
3158,alpha-Terpinyl acetate,80-26-2,DTXSID2026496,111037,alpha-Terpinyl acetate,IGODOXYLBBXFDW-UHFFFAOYSA-N,2-(4-Methylcyclohex-3-en-1-yl)propan-2-yl acetate,CC(=O)OC(C)(C)C1CCC(C)=CC1,"InChI=1S/C12H20O2/c1-9-5-7-11(8-6-9)12(3,4)14-10(2)13/h5,11H,6-8H2,1-4H3",C12H20O2,196.1463299
3160,4-(2-Methylbutan-2-yl)phenol,80-46-6,DTXSID8021771,6643,4-(2-Methylbutan-2-yl)phenol,NRZWYNLTFLDQQX-UHFFFAOYSA-N,4-(2-Methylbutan-2-yl)phenol,CCC(C)(C)C1=CC=C(O)C=C1,"InChI=1S/C11H16O/c1-4-11(2,3)9-5-7-10(12)8-6-9/h5-8,12H,4H2,1-3H3",C11H16O,164.1201151
3161,2-(4-Tert-Butylbenzyl)propionaldehyde,80-54-6,DTXSID9026500,228987,2-(4-Tert-Butylbenzyl)propionaldehyde,SDQFDHOLCGWZPU-UHFFFAOYSA-N,3-(4-tert-Butylphenyl)-2-methylpropanal,CC(CC1=CC=C(C=C1)C(C)(C)C)C=O,"InChI=1S/C14H20O/c1-11(10-15)9-12-5-7-13(8-6-12)14(2,3)4/h5-8,10-11H,9H2,1-4H3",C14H20O,204.1514153
3162,alpha-Pinene,80-56-8,DTXSID4026501,6654,alpha-Pinene,GRWFGVWFFZKLTI-UHFFFAOYSA-N,"2,6,6-Trimethylbicyclo[3.1.1]hept-2-ene",CC1=CCC2CC1C2(C)C,"InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3",C10H16,136.1252005
3163,Methyl methacrylate,80-62-6,DTXSID2020844,6658,Methyl methacrylate,VVQNEPGJFQJSBK-UHFFFAOYSA-N,Methyl 2-methylprop-2-enoate,COC(=O)C(C)=C,"InChI=1S/C5H8O2/c1-4(2)5(6)7-3/h1H2,2-3H3",C5H8O2,100.0524295
3164,Terpineol,8000-41-7,DTXSID8040775,,Terpineol,,,,,,
3165,"1,2-15,16-Diepoxyhexadecane",800375-27-3,DTXSID001015991,543423,"1,2-15,16-Diepoxyhexadecane",KHOGZDMZNQXOFX-UHFFFAOYSA-N,"2,2'-(Dodecane-1,12-diyl)bis(oxirane)",C(CCCCCCC1CO1)CCCCCC1CO1,"InChI=1S/C16H30O2/c1(3-5-7-9-11-15-13-17-15)2-4-6-8-10-12-16-14-18-16/h15-16H,1-14H2",C16H30O2,254.2245802
3166,(10Z)-Oxacyclononadec-10-en-2-one (ACI),80060-76-0,,6428982,(10Z)-Oxacyclononadec-10-en-2-one (ACI),GODWWTDBDJRXIU-UPHRSURJSA-N,(10Z)-1-oxacyclononadec-10-en-2-one,O=C1OCCCCCCCCC=CCCCCCCC1,"InChI=1S/C18H32O2/c19-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-20-18/h1-2H,3-17H2",C18H32O2,280.24
3167,Mineral oil - includes paraffin oil,8012-95-1,DTXSID3034743,,Mineral oil - includes paraffin oil,,,,,,
3168,"Soybean oil, epoxidized",8013-07-8,DTXSID1027687,,"Soybean oil, epoxidized",,,,,,
3169,Hydrocarbon oils,8020-83-5,DTXSID101026248,,Hydrocarbon oils,,,,,,
3170,"pyridine, 2,3,4,5-tetramethyl-6-phenyl-",80206-51-5,DTXSID40880782,610970,"pyridine, 2,3,4,5-tetramethyl-6-phenyl-",JCWDNHOBZOCRJB-UHFFFAOYSA-N,"2,3,4,5-Tetramethyl-6-phenylpyridine",CC1=C(C)C(C)=C(C)C(=N1)C1=CC=CC=C1,"InChI=1S/C15H17N/c1-10-11(2)13(4)16-15(12(10)3)14-8-6-5-7-9-14/h5-9H,1-4H3",C15H17N,211.1360996
3171,"(8E,10Z)-1,8,10-Tridecatriene",80625-30-5,DTXSID20338397,548898,"(8E,10Z)-1,8,10-Tridecatriene",BUPYQWCKNDOIJS-UHFFFAOYSA-N,"Trideca-1,8,10-triene",CCC=CC=CCCCCCC=C,"InChI=1S/C13H22/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3,6,8,10,12H,1,4-5,7,9,11,13H2,2H3",C13H22,178.1721507
3172,"5h-dibenzo[a,c]cyclohepten-5-ol",80636-47-1,DTXSID60880921,601717,"5h-dibenzo[a,c]cyclohepten-5-ol",XHCXDCWFEKBDJG-UHFFFAOYSA-N,"5H-Dibenzo[a,c][7]annulen-5-ol",OC1C=CC2=CC=CC=C2C2=CC=CC=C12,"InChI=1S/C15H12O/c16-15-10-9-11-5-1-2-6-12(11)13-7-3-4-8-14(13)15/h1-10,15-16H",C15H12O,208.088815
3173,"3,6,9,12,15,18,21-Heptaoxapentacosan-1-ol (7CI, 9CI, ACI)",80744-47-4,,6428207,"3,6,9,12,15,18,21-Heptaoxapentacosan-1-ol (7CI, 9CI, ACI)",QIBDLDQWDGOWTN-UHFFFAOYSA-N,2-[2-[2-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol,OCCOCCOCCOCCOCCOCCOCCOCCCC,"InChI=1S/C18H38O8/c1-2-3-5-20-7-9-22-11-13-24-15-17-26-18-16-25-14-12-23-10-8-21-6-4-19/h19H,2-18H2,1H3",C18H38O8,382.257
3174,Etofenprox,80844-07-1,DTXSID9032610,71245,Etofenprox,YREQHYQNNWYQCJ-UHFFFAOYSA-N,1-{[2-(4-Ethoxyphenyl)-2-methylpropoxy]methyl}-3-phenoxybenzene,CCOC1=CC=C(C=C1)C(C)(C)COCC1=CC(OC2=CC=CC=C2)=CC=C1,"InChI=1S/C25H28O3/c1-4-27-22-15-13-21(14-16-22)25(2,3)19-26-18-20-9-8-12-24(17-20)28-23-10-6-5-7-11-23/h5-17H,4,18-19H2,1-3H3",C25H28O3,376.2038448
3175,"[1-(1,1-Dimethylethyl)-3-phenyl-3-[(trimethylsilyl)oxy]-2-propen-1-yl]benzene (ACI)",808758-70-5,,624539,"[1-(1,1-Dimethylethyl)-3-phenyl-3-[(trimethylsilyl)oxy]-2-propen-1-yl]benzene (ACI)",DISUNCFQYTZKAZ-UHFFFAOYSA-N,"(4,4-dimethyl-1,3-diphenylpent-1-enoxy)-trimethylsilane",O(C(=CC(C=1C=CC=CC1)C(C)(C)C)C=2C=CC=CC2)[Si](C)(C)C,"InChI=1S/C22H30OSi/c1-22(2,3)20(18-13-9-7-10-14-18)17-21(23-24(4,5)6)19-15-11-8-12-16-19/h7-17,20H,1-6H3",C22H30OSi,338.207
3176,(4E)-4-Hexen-1-yl butanoate (ACI),809271-90-7,,5365695,(4E)-4-Hexen-1-yl butanoate (ACI),IKWWFLZYECOJNB-HWKANZROSA-N,[(E)-hex-4-enyl] butanoate,O=C(OCCCC=CC)CCC,"InChI=1S/C10H18O2/c1-3-5-6-7-9-12-10(11)8-4-2/h3,5H,4,6-9H2,1-2H3",C10H18O2,170.131
3177,"(3Z)-4-(2,3,6-trimethylphenyl)but-3-en-2-one",81018-77-1,DTXSID101017483,154735146,"(3Z)-4-(2,3,6-trimethylphenyl)but-3-en-2-one",AHHGVKNOSDJAQN-FPLPWBNLSA-N,"(3Z)-4-(2,3,6-Trimethylphenyl)but-3-en-2-one",CC(=O)\C=C/C1=C(C)C=CC(C)=C1C,"InChI=1S/C13H16O/c1-9-5-6-10(2)13(12(9)4)8-7-11(3)14/h5-8H,1-4H3/b8-7-",C13H16O,188.1201151
3178,Di-p-methylbenzylidenesorbitol,81541-12-0,DTXSID3051381,6850837,Di-p-methylbenzylidenesorbitol,LQAFKEDMOAMGAK-RLCYQCIGSA-N,"(1R)-1-[(4R,4aR,8aS)-2,6-Bis(4-methylphenyl)tetrahydro-2H,6H-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl]ethane-1,2-diol",[H][C@]12COC(O[C@@]1([H])[C@]([H])(OC(O2)C1=CC=C(C)C=C1)[C@H](O)CO)C1=CC=C(C)C=C1,"InChI=1S/C22H26O6/c1-13-3-7-15(8-4-13)21-25-12-18-20(28-21)19(17(24)11-23)27-22(26-18)16-9-5-14(2)6-10-16/h3-10,17-24H,11-12H2,1-2H3/t17-,18+,19-,20-,21?,22?/m1/s1",C22H26O6,386.1729386
3179,1-(4-tert-Butylphenyl)propan-2-one,81561-77-5,DTXSID70423681,6423283,1-(4-tert-Butylphenyl)propan-2-one,HSNJERRVXUNQLS-UHFFFAOYSA-N,1-(4-tert-Butylphenyl)propan-2-one,CC(=O)CC1=CC=C(C=C1)C(C)(C)C,"InChI=1S/C13H18O/c1-10(14)9-11-5-7-12(8-6-11)13(2,3)4/h5-8H,9H2,1-4H3",C13H18O,190.1357652
3180,Methyl 2-ethylhexanoate,816-19-3,DTXSID9052559,102491,Methyl 2-ethylhexanoate,KICUISADAVMYCJ-UHFFFAOYSA-N,Methyl 2-ethylhexanoate,CCCCC(CC)C(=O)OC,"InChI=1S/C9H18O2/c1-4-6-7-8(5-2)9(10)11-3/h8H,4-7H2,1-3H3",C9H18O2,158.1306798
3181,"(2E)-3,7-Dimethyl-2,6-octadien-1-yl (9Z)-9-octadecenoate (ACI)",81601-03-8,,91694967,"(2E)-3,7-Dimethyl-2,6-octadien-1-yl (9Z)-9-octadecenoate (ACI)",QCKYQBHVRCICQS-VBHPUSIBSA-N,"[(2E)-3,7-dimethylocta-2,6-dienyl] (Z)-octadec-9-enoate",O=C(OCC=C(C)CCC=C(C)C)CCCCCCCC=CCCCCCCCC,"InChI=1S/C28H50O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-28(29)30-25-24-27(4)22-20-21-26(2)3/h12-13,21,24H,5-11,14-20,22-23,25H2,1-4H3",C28H50O2,418.381
3182,"Octanoic acid, vinyl ester (mixed isomers)",818-44-0,DTXSID00231372,13164,"Octanoic acid, vinyl ester (mixed isomers)",QBDADGJLZNIRFQ-UHFFFAOYSA-N,Ethenyl octanoate,CCCCCCCC(=O)OC=C,"InChI=1S/C10H18O2/c1-3-5-6-7-8-9-10(11)12-4-2/h4H,2-3,5-9H2,1H3",C10H18O2,170.1306798
3183,2-Hydroxyethyl acrylate,818-61-1,DTXSID2022123,13165,2-Hydroxyethyl acrylate,OMIGHNLMNHATMP-UHFFFAOYSA-N,2-Hydroxyethyl prop-2-enoate,OCCOC(=O)C=C,"InChI=1S/C5H8O3/c1-2-5(7)8-4-3-6/h2,6H,1,3-4H2",C5H8O3,116.0473441
3184,1-Octyn-3-ol,818-72-4,DTXSID7022124,13166,1-Octyn-3-ol,VUGRNZHKYVHZSN-UHFFFAOYSA-N,Oct-1-yn-3-ol,CCCCCC(O)C#C,"InChI=1S/C8H14O/c1-3-5-6-7-8(9)4-2/h2,8-9H,3,5-7H2,1H3",C8H14O,126.1044651
3185,"(2S,6R,7S,8S)-7-Butyl-2-pentyl-1-azaspiro[5.5]undecan-8-ol (ACI)",82042-26-0,,11471974,"(2S,6R,7S,8S)-7-Butyl-2-pentyl-1-azaspiro[5.5]undecan-8-ol (ACI)",BTKHRQIWTGOESJ-ZSYWTGECSA-N,"(2S,6R,10S,11S)-11-butyl-2-pentyl-1-azaspiro[5.5]undecan-10-ol",OC1CCCC2(NC(CCCCC)CCC2)C1CCCC,"InChI=1S/C19H37NO/c1-3-5-7-10-16-11-8-14-19(20-16)15-9-13-18(21)17(19)12-6-4-2/h16-18,20-21H,3-15H2,1-2H3",C19H37NO,295.288
3186,Tetradecanedioic acid,821-38-5,DTXSID5061166,13185,Tetradecanedioic acid,HQHCYKULIHKCEB-UHFFFAOYSA-N,Tetradecanedioic acid,OC(=O)CCCCCCCCCCCCC(O)=O,"InChI=1S/C14H26O4/c15-13(16)11-9-7-5-3-1-2-4-6-8-10-12-14(17)18/h1-12H2,(H,15,16)(H,17,18)",C14H26O4,258.1831093
3187,2-Nonanone,821-55-6,DTXSID2022125,13187,2-Nonanone,VKCYHJWLYTUGCC-UHFFFAOYSA-N,Nonan-2-one,CCCCCCCC(C)=O,"InChI=1S/C9H18O/c1-3-4-5-6-7-8-9(2)10/h3-8H2,1-2H3",C9H18O,142.1357652
3188,1-Undecene,821-95-4,DTXSID5061168,13190,1-Undecene,DCTOHCCUXLBQMS-UHFFFAOYSA-N,Undec-1-ene,CCCCCCCCCC=C,"InChI=1S/C11H22/c1-3-5-7-9-11-10-8-6-4-2/h3H,1,4-11H2,2H3",C11H22,154.1721507
3189,"4-UNDECENE, (Z)-",821-98-7,DTXSID70876613,5364457,(4Z)-4-Undecene,JABYJIQOLGWMQW-CLFYSBASSA-N,(4Z)-Undec-4-ene,CCCCCC\C=C/CCC,"InChI=1S/C11H22/c1-3-5-7-9-11-10-8-6-4-2/h7,9H,3-6,8,10-11H2,1-2H3/b9-7-",C11H22,154.1721507
3190,"1,6-Diisocyanatohexane",822-06-0,DTXSID4024143,13192,"1,6-Diisocyanatohexane",RRAMGCGOFNQTLD-UHFFFAOYSA-N,"1,6-Diisocyanatohexane",O=C=NCCCCCCN=C=O,InChI=1S/C8H12N2O2/c11-7-9-5-3-1-2-4-6-10-8-12/h1-6H2,C8H12N2O2,168.0898776
3191,Dioctyl disulphide,822-27-5,DTXSID40231614,69970,Dioctyl disulphide,AROCLDYPZXMJPW-UHFFFAOYSA-N,1-(Octyldisulfanyl)octane,CCCCCCCCSSCCCCCCCC,"InChI=1S/C16H34S2/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h3-16H2,1-2H3",C16H34S2,290.2101934
3192,2-?Cyclohexen-?1-?ol,822-67-3,DTXSID00870780,13198,2-​Cyclohexen-​1-​ol,PQANGXXSEABURG-UHFFFAOYSA-N,Cyclohex-2-en-1-ol,OC1CCCC=C1,"InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h2,4,6-7H,1,3,5H2",C6H10O,98.07316494
3193,7-octylidenebicyclo[4.1.0]heptane,82253-11-0,DTXSID20880846,584950,7-octylidenebicyclo[4.1.0]heptane,GVWLBCNKADCHEY-UHFFFAOYSA-N,7-Octylidenebicyclo[4.1.0]heptane,CCCCCCCC=C1C2CCCCC12,"InChI=1S/C15H26/c1-2-3-4-5-6-7-10-13-14-11-8-9-12-15(13)14/h10,14-15H,2-9,11-12H2,1H3",C15H26,206.2034508
3194,"2,6-Toluenediamine",823-40-5,DTXSID4027319,13205,"2,6-Toluenediamine",RLYCRLGLCUXUPO-UHFFFAOYSA-N,"2-Methylbenzene-1,3-diamine",CC1=C(N)C=CC=C1N,"InChI=1S/C7H10N2/c1-5-6(8)3-2-4-7(5)9/h2-4H,8-9H2,1H3",C7H10N2,122.0843983
3195,Cyclohexyl methyl ketone,823-76-7,DTXSID40231674,13207,Cyclohexyl methyl ketone,RIFKADJTWUGDOV-UHFFFAOYSA-N,1-Cyclohexylethan-1-one,CC(=O)C1CCCCC1,"InChI=1S/C8H14O/c1-7(9)8-5-3-2-4-6-8/h8H,2-6H2,1H3",C8H14O,126.1044651
3196,"7,9-Di-tert-butyl-1-oxaspiro(4,5)deca-6,9-diene-2,8-dione",82304-66-3,DTXSID60337884,545303,"7,9-Di-tert-butyl-1-oxaspiro(4,5)deca-6,9-diene-2,8-dione",ZTMZUYHXZPUDRF-UHFFFAOYSA-N,"7,9-Di-tert-butyl-1-oxaspiro[4.5]deca-6,9-diene-2,8-dione",CC(C)(C)C1=CC2(CCC(=O)O2)C=C(C1=O)C(C)(C)C,"InChI=1S/C17H24O3/c1-15(2,3)11-9-17(8-7-13(18)20-17)10-12(14(11)19)16(4,5)6/h9-10H,7-8H2,1-6H3",C17H24O3,276.1725446
3197,1-(Butylideneamino)pyridin-1-ium,823817-66-9,DTXSID70838034,71418742,1-(Butylideneamino)pyridin-1-ium,OBJDPTHDNYSECF-UHFFFAOYSA-N,1-(Butylideneamino)pyridin-1-ium,CCCC=N[N+]1=CC=CC=C1,"InChI=1S/C9H13N2/c1-2-3-7-10-11-8-5-4-6-9-11/h4-9H,2-3H2,1H3/q+1",C9H13N2,149.1073248
3198,"Eudesma-2,4,11-triene",82462-31-5,,11571984,"Eudesma-2,4,11-triene",LGRISOGTKBAJPA-UKRRQHHQSA-N,"(2R,4aS)-4a,8-dimethyl-2-prop-1-en-2-yl-2,3,4,5-tetrahydro-1H-naphthalene",C=C(C)C1CC2=C(C=CCC2(C)CC1)C,"InChI=1S/C15H22/c1-11(2)13-7-9-15(4)8-5-6-12(3)14(15)10-13/h5-6,13H,1,7-10H2,2-4H3",C15H22,202.172
3199,Butyryl-n-trihexylcitrate,82469-79-2,DTXSID0047535,133914,Butyryl-n-trihexylcitrate,GWVUTNGDMGTPFE-UHFFFAOYSA-N,"Trihexyl 2-(butanoyloxy)propane-1,2,3-tricarboxylate",CCCCCCOC(=O)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC,"InChI=1S/C28H50O8/c1-5-9-12-15-19-33-25(30)22-28(36-24(29)18-8-4,27(32)35-21-17-14-11-7-3)23-26(31)34-20-16-13-10-6-2/h5-23H2,1-4H3",C28H50O8,514.3505686
3200,Cyclopentylidenecyclopentan-2-one,825-25-2,DTXSID80231794,69995,Cyclopentylidenecyclopentan-2-one,NYSYNXRPXJZYFY-UHFFFAOYSA-N,"[1,1'-Bi(cyclopentyliden)]-2-one",O=C1CCCC1=C1CCCC1,InChI=1S/C10H14O/c11-10-7-3-6-9(10)8-4-1-2-5-8/h1-7H2,C10H14O,150.1044651
3201,"2,2,6,6-Tetramethyl-4-piperidone",826-36-8,DTXSID4041527,13220,"2,2,6,6-Tetramethyl-4-piperidone",JWUXJYZVKZKLTJ-UHFFFAOYSA-N,"2,2,6,6-Tetramethylpiperidin-4-one",CC1(C)CC(=O)CC(C)(C)N1,"InChI=1S/C9H17NO/c1-8(2)5-7(11)6-9(3,4)10-8/h10H,5-6H2,1-4H3",C9H17NO,155.1310142
3202,"Cyclopentanecarboxaldehyde, 2-methyl-3-methylene-",826337-64-8,DTXSID90341439,573077,"Cyclopentanecarboxaldehyde, 2-methyl-3-methylene-",PVKIIZQXWDDNDN-UHFFFAOYSA-N,2-Methyl-3-methylidenecyclopentane-1-carbaldehyde,CC1C(CCC1=C)C=O,"InChI=1S/C8H12O/c1-6-3-4-8(5-9)7(6)2/h5,7-8H,1,3-4H2,2H3",C8H12O,124.088815
3203,Bifenthrin,82657-04-3,DTXSID9020160,,Bifenthrin,OMFRMAHOUUJSGP-XNBZSHGZNA-N,"(2-Methyl[1,1'-biphenyl]-3-yl)methyl (1R,3R)-3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropane-1-carboxylate",CC1=C(C=CC=C1COC(=O)[C@@H]1[C@H](\C=C(/Cl)C(F)(F)F)C1(C)C)C1=CC=CC=C1,"InChI=1S/C23H22ClF3O2/c1-14-16(10-7-11-17(14)15-8-5-4-6-9-15)13-29-21(28)20-18(22(20,2)3)12-19(24)23(25,26)27/h4-12,18,20H,13H2,1-3H3/b19-12-/t18-,20-/m0/s1",C23H22ClF3O2,422.1260421
3204,Cyclohexylbenzene,827-52-1,DTXSID3061188,13229,Cyclohexylbenzene,IGARGHRYKHJQSM-UHFFFAOYSA-N,Cyclohexylbenzene,C1CCC(CC1)C1=CC=CC=C1,"InChI=1S/C12H16/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1,3-4,7-8,12H,2,5-6,9-10H2",C12H16,160.1252005
3205,"2,6-Dibromo-4-nitroaniline",827-94-1,DTXSID7052573,13231,"2,6-Dibromo-4-nitroaniline",YMZIFDLWYUSZCC-UHFFFAOYSA-N,"2,6-Dibromo-4-nitroaniline",NC1=C(Br)C=C(C=C1Br)[N+]([O-])=O,"InChI=1S/C6H4Br2N2O2/c7-4-1-3(10(11)12)2-5(8)6(4)9/h1-2H,9H2",C6H4Br2N2O2,293.863953
3206,"2,3,6-Trimethylnaphthalene",829-26-5,DTXSID8061189,13237,"2,3,6-Trimethylnaphthalene",UNBZRJCHIWTUHB-UHFFFAOYSA-N,"2,3,6-Trimethylnaphthalene",CC1=CC2=CC(C)=C(C)C=C2C=C1,"InChI=1S/C13H14/c1-9-4-5-12-7-10(2)11(3)8-13(12)6-9/h4-8H,1-3H3",C13H14,170.1095505
3207,"Methyl 1,2,2,6,6-pentamethyl-4-piperidyl sebacate",82919-37-7,DTXSID7041831,157881,"Methyl 1,2,2,6,6-pentamethyl-4-piperidyl sebacate",OTCWVYFQGYOYJO-UHFFFAOYSA-N,"Methyl 1,2,2,6,6-pentamethylpiperidin-4-yl decanedioate",COC(=O)CCCCCCCCC(=O)OC1CC(C)(C)N(C)C(C)(C)C1,"InChI=1S/C21H39NO4/c1-20(2)15-17(16-21(3,4)22(20)5)26-19(24)14-12-10-8-7-9-11-13-18(23)25-6/h17H,7-16H2,1-6H3",C21H39NO4,369.2879087
3208,Acenaphthene,83-32-9,DTXSID3021774,6734,Acenaphthene,CWRYPZZKDGJXCA-UHFFFAOYSA-N,"1,2-Dihydroacenaphthylene",C1CC2=C3C1=CC=CC3=CC=C2,"InChI=1S/C12H10/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-6H,7-8H2",C12H10,154.0782503
3209,3-Methylindole,83-34-1,DTXSID8021775,6736,3-Methylindole,ZFRKQXVRDFCRJG-UHFFFAOYSA-N,3-Methyl-1H-indole,CC1=CNC2=C1C=CC=C2,"InChI=1S/C9H9N/c1-7-6-10-9-5-3-2-4-8(7)9/h2-6,10H,1H3",C9H9N,131.0734993
3210,beta-Sitosterol,83-46-5,DTXSID5022481,222284,(-)-beta-Sitosterol,KZJWDPNRJALLNS-VJSFXXLFSA-N,Stigmast-5-en-3beta-ol,[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CC[C@@H](CC)C(C)C,"InChI=1S/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-21,23-27,30H,7-9,11-18H2,1-6H3/t20-,21-,23+,24+,25-,26+,27+,28+,29-/m1/s1",C29H50O,414.3861662
3211,Cyclododecanone,830-13-7,DTXSID3027322,13246,Cyclododecanone,SXVPOSFURRDKBO-UHFFFAOYSA-N,Cyclododecanone,O=C1CCCCCCCCCCC1,InChI=1S/C12H22O/c13-12-10-8-6-4-2-1-3-5-7-9-11-12/h1-11H2,C12H22O,182.1670653
3212,1-Azacyclotridec-3-en-2-one,831227-09-9,DTXSID80740114,69255360,1-Azacyclotridec-3-en-2-one,XLTQIHRRJGUXIJ-UHFFFAOYSA-N,1-Azacyclotridec-3-en-2-one,O=C1NCCCCCCCCCC=C1,"InChI=1S/C12H21NO/c14-12-10-8-6-4-2-1-3-5-7-9-11-13-12/h8,10H,1-7,9,11H2,(H,13,14)",C12H21NO,195.1623143
3213,4-Methylphenanthrene,832-64-4,DTXSID7073933,13256,4-Methylphenanthrene,LOCGAKKLRVLQAM-UHFFFAOYSA-N,4-Methylphenanthrene,CC1=C2C(C=CC3=CC=CC=C23)=CC=C1,"InChI=1S/C15H12/c1-11-5-4-7-13-10-9-12-6-2-3-8-14(12)15(11)13/h2-10H,1H3",C15H12,192.0939004
3214,1-Methyl phenanthrene,832-69-9,DTXSID6025648,13257,1-Methyl phenanthrene,DOWJXOHBNXRUOD-UHFFFAOYSA-N,1-Methylphenanthrene,CC1=C2C=CC3=CC=CC=C3C2=CC=C1,"InChI=1S/C15H12/c1-11-5-4-8-15-13(11)10-9-12-6-2-3-7-14(12)15/h2-10H,1H3",C15H12,192.0939004
3215,"2H-Thiopyran, tetrahydro-2,4-dimethyl-, 1,1-dioxide, trans- (9CI)",83278-50-6,,,"2H-Thiopyran, tetrahydro-2,4-dimethyl-, 1,1-dioxide, trans- (9CI)",HXBNMSBUTCUQCZ-JHPDDGAFNA-N,,O=S1(=O)CCC(C)CC1C,"InChI=1S/C7H14O2S/c1-6-3-4-10(8,9)7(2)5-6/h6-7H,3-5H2,1-2H3",,
3216,"cis-Hexahydro-8a-methyl-1,8(2H,5H)-naphthalenedione (ACI)",83406-41-1,,,"cis-Hexahydro-8a-methyl-1,8(2H,5H)-naphthalenedione (ACI)",MGLDBQWFQLBHHH-DKTWLAJQNA-N,,O=C1CCCC2CCCC(=O)C12C,"InChI=1S/C11H16O2/c1-11-8(4-2-6-9(11)12)5-3-7-10(11)13/h8H,2-7H2,1H3",,
3217,"1,4,8-Dodecatriene, (E,Z)- (9CI)",83489-22-9,,5367542,"1,4,8-Dodecatriene, (E,Z)- (9CI)",NDELIMUMKISMLH-ZWOQCJTASA-N,"(4E,8Z)-dodeca-1,4,8-triene",C=CCC=CCCC=CCCC,"InChI=1S/C12H20/c1-3-5-7-9-11-12-10-8-6-4-2/h3,7-10H,1,4-6,11-12H2,2H3",C12H20,164.157
3219,"Phenol, 2-[1-(4-hydroxyphenyl)-1-methylethyl]-",837-08-1,DTXSID7042275,70044,"Phenol, 2-[1-(4-hydroxyphenyl)-1-methylethyl]-",MLCQXUZZAXKTSG-UHFFFAOYSA-N,2-[2-(4-Hydroxyphenyl)propan-2-yl]phenol,CC(C)(C1=CC=C(O)C=C1)C1=C(O)C=CC=C1,"InChI=1S/C15H16O2/c1-15(2,11-7-9-12(16)10-8-11)13-5-3-4-6-14(13)17/h3-10,16-17H,1-2H3",C15H16O2,228.1150298
3220,"benzene, 1,1'-(1-ethyl-1,3-propanediyl)bis-",838-45-9,DTXSID70880816,563456,"benzene, 1,1'-(1-ethyl-1,3-propanediyl)bis-",NXKYVNWYVWJWEN-UHFFFAOYSA-N,"1,1'-(Pentane-1,3-diyl)dibenzene",CCC(CCC1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C17H20/c1-2-16(17-11-7-4-8-12-17)14-13-15-9-5-3-6-10-15/h3-12,16H,2,13-14H2,1H3",C17H20,224.1565006
3221,Diphenyl phosphate,838-85-7,DTXSID1048207,13282,Diphenyl phosphate,ASMQGLCHMVWBQR-UHFFFAOYSA-N,Diphenyl hydrogen phosphate,OP(=O)(OC1=CC=CC=C1)OC1=CC=CC=C1,"InChI=1S/C12H11O4P/c13-17(14,15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h1-10H,(H,13,14)",C12H11O4P,250.0394958
3222,2-Ethylhexyl trans-4-methoxycinnamate,83834-59-7,DTXSID9047205,5355130,2-Ethylhexyl trans-4-methoxycinnamate,YBGZDTIWKVFICR-JLHYYAGUSA-N,2-Ethylhexyl (2E)-3-(4-methoxyphenyl)prop-2-enoate,CCCCC(CC)COC(=O)\C=C\C1=CC=C(OC)C=C1,"InChI=1S/C18H26O3/c1-4-6-7-15(5-2)14-21-18(19)13-10-16-8-11-17(20-3)12-9-16/h8-13,15H,4-7,14H2,1-3H3/b13-10+",C18H26O3,290.1881947
3223,"9H-Thioxanthen-9-one, 4-(1-methylethyl)-",83846-86-0,DTXSID80868761,158403,4-Isopropylthioxanthone,IKVYHNPVKUNCJM-UHFFFAOYSA-N,4-(Propan-2-yl)-9H-thioxanthen-9-one,CC(C)C1=CC=CC2=C1SC1=CC=CC=C1C2=O,"InChI=1S/C16H14OS/c1-10(2)11-7-5-8-13-15(17)12-6-3-4-9-14(12)18-16(11)13/h3-10H,1-2H3",C16H14OS,254.0765362
3224,"Octa-1,5-dien-3-ol",83861-74-9,DTXSID301003967,205986,"Octa-1,5-dien-3-ol",APFBWMGEGSELQP-UHFFFAOYSA-N,"Octa-1,5-dien-3-ol",CCC=CCC(O)C=C,"InChI=1S/C8H14O/c1-3-5-6-7-8(9)4-2/h4-6,8-9H,2-3,7H2,1H3",C8H14O,126.1044651
3225,o-Terphenyl,84-15-1,DTXSID1049697,6766,o-Terphenyl,OIAQMFOKAXHPNH-UHFFFAOYSA-N,"1~1~,2~1~:2~2~,3~1~-Terphenyl",C1=CC=C(C=C1)C1=CC=CC=C1C1=CC=CC=C1,InChI=1S/C18H14/c1-3-9-15(10-4-1)17-13-7-8-14-18(17)16-11-5-2-6-12-16/h1-14H,C18H14,230.1095505
3226,meso-Hexestrol,84-16-2,DTXSID2022381,192197,Hexestrol,PBBGSZCBWVPOOL-HDICACEKSA-N,"4,4'-[(3R,4S)-Hexane-3,4-diyl]diphenol",CC[C@@H]([C@@H](CC)C1=CC=C(O)C=C1)C1=CC=C(O)C=C1,"InChI=1S/C18H22O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,17-20H,3-4H2,1-2H3/t17-,18+",C18H22O2,270.1619799
3227,"9,10-Anthracenedione, 2-(1,1-dimethylethyl)-",84-47-9,DTXSID3058903,66532,"9,10-Anthracenedione, 2-(1,1-dimethylethyl)-",YTPSFXZMJKMUJE-UHFFFAOYSA-N,"2-tert-Butylanthracene-9,10-dione",CC(C)(C)C1=CC2=C(C=C1)C(=O)C1=CC=CC=C1C2=O,"InChI=1S/C18H16O2/c1-18(2,3)11-8-9-14-15(10-11)17(20)13-7-5-4-6-12(13)16(14)19/h4-10H,1-3H3",C18H16O2,264.1150298
3228,Dicyclohexyl phthalate,84-61-7,DTXSID5025021,6777,Dicyclohexyl phthalate,VOWAEIGWURALJQ-UHFFFAOYSA-N,"Dicyclohexyl benzene-1,2-dicarboxylate",O=C(OC1CCCCC1)C1=C(C=CC=C1)C(=O)OC1CCCCC1,"InChI=1S/C20H26O4/c21-19(23-15-9-3-1-4-10-15)17-13-7-8-14-18(17)20(22)24-16-11-5-2-6-12-16/h7-8,13-16H,1-6,9-12H2",C20H26O4,330.1831093
3229,Diphenyl phthalate,84-62-8,DTXSID3021778,6778,Diphenyl phthalate,DWNAQMUDCDVSLT-UHFFFAOYSA-N,"Diphenyl benzene-1,2-dicarboxylate",O=C(OC1=CC=CC=C1)C1=CC=CC=C1C(=O)OC1=CC=CC=C1,InChI=1S/C20H14O4/c21-19(23-15-9-3-1-4-10-15)17-13-7-8-14-18(17)20(22)24-16-11-5-2-6-12-16/h1-14H,C20H14O4,318.0892089
3230,Bis(4-methyl-2-pentyl) phthalate,84-63-9,DTXSID501015972,14475857,Bis(4-methyl-2-pentyl) phthalate,UAFXUVUVOTXFND-UHFFFAOYSA-N,"Bis(4-methylpentan-2-yl) benzene-1,2-dicarboxylate",CC(C)CC(C)OC(=O)C1=CC=CC=C1C(=O)OC(C)CC(C)C,"InChI=1S/C20H30O4/c1-13(2)11-15(5)23-19(21)17-9-7-8-10-18(17)20(22)24-16(6)12-14(3)4/h7-10,13-16H,11-12H2,1-6H3",C20H30O4,334.2144094
3231,Butyl cyclohexyl phthalate,84-64-0,DTXSID5024689,6779,Butyl cyclohexyl phthalate,BHKLONWXRPJNAE-UHFFFAOYSA-N,"Butyl cyclohexyl benzene-1,2-dicarboxylate",CCCCOC(=O)C1=CC=CC=C1C(=O)OC1CCCCC1,"InChI=1S/C18H24O4/c1-2-3-13-21-17(19)15-11-7-8-12-16(15)18(20)22-14-9-5-4-6-10-14/h7-8,11-12,14H,2-6,9-10,13H2,1H3",C18H24O4,304.1674593
3232,Anthraquinone,84-65-1,DTXSID3020095,6780,Anthraquinone,RZVHIXYEVGDQDX-UHFFFAOYSA-N,"Anthracene-9,10-dione",O=C1C2=C(C=CC=C2)C(=O)C2=C1C=CC=C2,InChI=1S/C14H8O2/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13/h1-8H,C14H8O2,208.0524295
3233,Diethyl phthalate,84-66-2,DTXSID7021780,6781,Diethyl phthalate,FLKPEMZONWLCSK-UHFFFAOYSA-N,"Diethyl benzene-1,2-dicarboxylate",CCOC(=O)C1=CC=CC=C1C(=O)OCC,"InChI=1S/C12H14O4/c1-3-15-11(13)9-7-5-6-8-10(9)12(14)16-4-2/h5-8H,3-4H2,1-2H3",C12H14O4,222.0892089
3234,Diisobutyl phthalate,84-69-5,DTXSID9022522,6782,Diisobutyl phthalate,MGWAVDBGNNKXQV-UHFFFAOYSA-N,"Bis(2-methylpropyl) benzene-1,2-dicarboxylate",CC(C)COC(=O)C1=C(C=CC=C1)C(=O)OCC(C)C,"InChI=1S/C16H22O4/c1-11(2)9-19-15(17)13-7-5-6-8-14(13)16(18)20-10-12(3)4/h5-8,11-12H,9-10H2,1-4H3",C16H22O4,278.1518092
3235,"1,2-Cyclohexanedicarboxylic acid, 1,2-bis(2-ethylhexyl) ester",84-71-9,DTXSID40861657,6784,"1,2-Cyclohexanedicarboxylic acid, 1,2-bis(2-ethylhexyl) ester",DIMOQAGSNHTROK-UHFFFAOYSA-N,"Bis(2-ethylhexyl) cyclohexane-1,2-dicarboxylate",CCCCC(CC)COC(=O)C1CCCCC1C(=O)OCC(CC)CCCC,"InChI=1S/C24H44O4/c1-5-9-13-19(7-3)17-27-23(25)21-15-11-12-16-22(21)24(26)28-18-20(8-4)14-10-6-2/h19-22H,5-18H2,1-4H3",C24H44O4,396.3239599
3236,"Dibutyl 1,2-benzenedicarboxylate",84-74-2,DTXSID2021781,3026,"Dibutyl 1,2-benzenedicarboxylate",DOIRQSBPFJWKBE-UHFFFAOYSA-N,"Dibutyl benzene-1,2-dicarboxylate",CCCCOC(=O)C1=CC=CC=C1C(=O)OCCCC,"InChI=1S/C16H22O4/c1-3-5-11-19-15(17)13-9-7-8-10-14(13)16(18)20-12-6-4-2/h7-10H,3-6,11-12H2,1-2H3",C16H22O4,278.1518092
3237,Dihexyl phthalate,84-75-3,DTXSID6025068,6786,Dihexyl phthalate,KCXZNSGUUQJJTR-UHFFFAOYSA-N,"Dihexyl benzene-1,2-dicarboxylate",CCCCCCOC(=O)C1=C(C=CC=C1)C(=O)OCCCCCC,"InChI=1S/C20H30O4/c1-3-5-7-11-15-23-19(21)17-13-9-10-14-18(17)20(22)24-16-12-8-6-4-2/h9-10,13-14H,3-8,11-12,15-16H2,1-2H3",C20H30O4,334.2144094
3238,"1,2-Benzenedicarboxylic acid, dinonyl ester",84-76-4,DTXSID9047966,6787,"1,2-Benzenedicarboxylic acid, dinonyl ester",DROMNWUQASBTFM-UHFFFAOYSA-N,"Dinonyl benzene-1,2-dicarboxylate",CCCCCCCCCOC(=O)C1=C(C=CC=C1)C(=O)OCCCCCCCCC,"InChI=1S/C26H42O4/c1-3-5-7-9-11-13-17-21-29-25(27)23-19-15-16-20-24(23)26(28)30-22-18-14-12-10-8-6-4-2/h15-16,19-20H,3-14,17-18,21-22H2,1-2H3",C26H42O4,418.3083098
3239,Didecyl phthalate,84-77-5,DTXSID3026512,6788,Didecyl phthalate,PGIBJVOPLXHHGS-UHFFFAOYSA-N,"Didecyl benzene-1,2-dicarboxylate",CCCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCCCC,"InChI=1S/C28H46O4/c1-3-5-7-9-11-13-15-19-23-31-27(29)25-21-17-18-22-26(25)28(30)32-24-20-16-14-12-10-8-6-4-2/h17-18,21-22H,3-16,19-20,23-24H2,1-2H3",C28H46O4,446.33961
3240,Butyl octyl phthalate,84-78-6,DTXSID2052578,66540,Butyl octyl phthalate,MURWRBWZIMXKGC-UHFFFAOYSA-N,"Butyl octyl benzene-1,2-dicarboxylate",CCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCC,"InChI=1S/C20H30O4/c1-3-5-7-8-9-12-16-24-20(22)18-14-11-10-13-17(18)19(21)23-15-6-4-2/h10-11,13-14H,3-9,12,15-16H2,1-2H3",C20H30O4,334.2144094
3241,C.I. Solvent Yellow 14,842-07-9,DTXSID4021135,13297,C.I. Solvent Yellow 14,MRQIXHXHHPWVIL-UHFFFAOYSA-N,1-(Phenyldiazenyl)naphthalen-2-ol,OC1=CC=C2C=CC=CC2=C1N=NC1=CC=CC=C1,"InChI=1S/C16H12N2O/c19-15-11-10-12-6-4-5-9-14(12)16(15)18-17-13-7-2-1-3-8-13/h1-11,19H",C16H12N2O,248.094963
3242,Bisphenol Z,843-55-0,DTXSID4047963,232446,Bisphenol Z,SDDLEVPIDBLVHC-UHFFFAOYSA-N,"2~3~,2~4~,2~5~,2~6~-Tetrahydro-2~2~H-[1~1~,2~1~:2~1~,3~1~-terphenyl]-1~4~,3~4~-diol",OC1=CC=C(C=C1)C1(CCCCC1)C1=CC=C(O)C=C1,"InChI=1S/C18H20O2/c19-16-8-4-14(5-9-16)18(12-2-1-3-13-18)15-6-10-17(20)11-7-15/h4-11,19-20H,1-3,12-13H2",C18H20O2,268.1463299
3243,"3-[(3,4-Dihydro-6-methoxy-1-isoquinolinyl)methyl]phenol (ACI)",84375-15-5,,622372,"3-[(3,4-Dihydro-6-methoxy-1-isoquinolinyl)methyl]phenol (ACI)",CXTQQQQMXWEYNP-UHFFFAOYSA-N,"3-[(6-methoxy-3,4-dihydroisoquinolin-1-yl)methyl]phenol",OC1=CC=CC(=C1)CC2=NCCC=3C=C(OC)C=CC23,"InChI=1S/C17H17NO2/c1-20-15-5-6-16-13(11-15)7-8-18-17(16)10-12-3-2-4-14(19)9-12/h2-6,9,11,19H,7-8,10H2,1H3",C17H17NO2,267.126
3244,"1-(3-methylbutyl)-2,3,6-trimethylbenzene",84651-14-9,DTXSID40880727,583843,"1-(3-methylbutyl)-2,3,6-trimethylbenzene",CBOJILOICAVSDI-UHFFFAOYSA-N,"1,2,4-Trimethyl-3-(3-methylbutyl)benzene",CC(C)CCC1=C(C)C=CC(C)=C1C,"InChI=1S/C14H22/c1-10(2)6-9-14-12(4)8-7-11(3)13(14)5/h7-8,10H,6,9H2,1-5H3",C14H22,190.1721507
3245,"4-Nonylphenol, branched",84852-15-3,DTXSID5029055,,"4-Nonylphenol, branched",,,,,,
3246,"1,1'-Ethane-1,2-diylbis(pentabromobenzene)",84852-53-9,DTXSID2052732,10985889,"1,1'-Ethane-1,2-diylbis(pentabromobenzene)",BZQKBFHEWDPQHD-UHFFFAOYSA-N,"1,1'-(Ethane-1,2-diyl)bis(pentabromobenzene)",BrC1=C(Br)C(Br)=C(CCC2=C(Br)C(Br)=C(Br)C(Br)=C2Br)C(Br)=C1Br,InChI=1S/C14H4Br10/c15-5-3(6(16)10(20)13(23)9(5)19)1-2-4-7(17)11(21)14(24)12(22)8(4)18/h1-2H2,C14H4Br10,961.21468
3247,Dicyclohexyl adipate,849-99-0,DTXSID8061212,13321,Dicyclohexyl adipate,UTGUHFOMNVLJSL-UHFFFAOYSA-N,Dicyclohexyl hexanedioate,O=C(CCCCC(=O)OC1CCCCC1)OC1CCCCC1,"InChI=1S/C18H30O4/c19-17(21-15-9-3-1-4-10-15)13-7-8-14-18(20)22-16-11-5-2-6-12-16/h15-16H,1-14H2",C18H30O4,310.2144094
3248,"Furan, 2-[2-[4-(1-methylethyl)phenyl]cyclopropyl]-",84922-05-4,DTXSID20345283,603367,"Furan, 2-[2-[4-(1-methylethyl)phenyl]cyclopropyl]-",DFAGZULMEQUZCH-UHFFFAOYSA-N,2-{2-[4-(Propan-2-yl)phenyl]cyclopropyl}furan,CC(C)C1=CC=C(C=C1)C1CC1C1=CC=CO1,"InChI=1S/C16H18O/c1-11(2)12-5-7-13(8-6-12)14-10-15(14)16-4-3-9-17-16/h3-9,11,14-15H,10H2,1-2H3",C16H18O,226.1357652
3249,Phenanthrene,85-01-8,DTXSID6024254,995,Phenanthrene,YNPNZTXNASCQKK-UHFFFAOYSA-N,Phenanthrene,C1=CC2=C(C=C1)C1=C(C=CC=C1)C=C2,InChI=1S/C14H10/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13/h1-10H,C14H10,178.0782503
3250,"2,3,4,5,6-Pentabromoethylbenzene",85-22-3,DTXSID7021782,6800,"2,3,4,5,6-Pentabromoethylbenzene",FIAXCDIQXHJNIX-UHFFFAOYSA-N,"1,2,3,4,5-Pentabromo-6-ethylbenzene",CCC1=C(Br)C(Br)=C(Br)C(Br)=C1Br,"InChI=1S/C8H5Br5/c1-2-3-4(9)6(11)8(13)7(12)5(3)10/h2H2,1H3",C8H5Br5,495.630815
3251,Phthalimide,85-41-6,DTXSID3026514,6809,Phthalimide,XKJCHHZQLQNZHY-UHFFFAOYSA-N,"1H-Isoindole-1,3(2H)-dione",O=C1NC(=O)C2=C1C=CC=C2,"InChI=1S/C8H5NO2/c10-7-5-3-1-2-4-6(5)8(11)9-7/h1-4H,(H,9,10,11)",C8H5NO2,147.0320284
3252,Phthalic anhydride,85-44-9,DTXSID2021159,6811,Phthalic anhydride,LGRFSURHDFAFJT-UHFFFAOYSA-N,"2-Benzofuran-1,3-dione",O=C1OC(=O)C2=C1C=CC=C2,InChI=1S/C8H4O3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h1-4H,C8H4O3,148.016044
3253,Benzyl butyl phthalate,85-68-7,DTXSID3020205,2347,Benzyl butyl phthalate,IRIAEXORFWYRCZ-UHFFFAOYSA-N,"Benzyl butyl benzene-1,2-dicarboxylate",CCCCOC(=O)C1=C(C=CC=C1)C(=O)OCC1=CC=CC=C1,"InChI=1S/C19H20O4/c1-2-3-13-22-18(20)16-11-7-8-12-17(16)19(21)23-14-15-9-5-4-6-10-15/h4-12H,2-3,13-14H2,1H3",C19H20O4,312.1361591
3254,Butyl 2-ethylhexyl phthalate,85-69-8,DTXSID8026519,6818,Butyl 2-ethylhexyl phthalate,AVOLBYOSCILFLL-UHFFFAOYSA-N,"Butyl 2-ethylhexyl benzene-1,2-dicarboxylate",CCCCOC(=O)C1=CC=CC=C1C(=O)OCC(CC)CCCC,"InChI=1S/C20H30O4/c1-4-7-11-16(6-3)15-24-20(22)18-13-10-9-12-17(18)19(21)23-14-8-5-2/h9-10,12-13,16H,4-8,11,14-15H2,1-3H3",C20H30O4,334.2144094
3255,"1,2-Benzenedicarboxylic acid, 2-butoxy-2-oxoethyl butyl ester",85-70-1,DTXSID7023938,6819,"1,2-Benzenedicarboxylic acid, 2-butoxy-2-oxoethyl butyl ester",GOJCZVPJCKEBQV-UHFFFAOYSA-N,"2-Butoxy-2-oxoethyl butyl benzene-1,2-dicarboxylate",CCCCOC(=O)COC(=O)C1=CC=CC=C1C(=O)OCCCC,"InChI=1S/C18H24O6/c1-3-5-11-22-16(19)13-24-18(21)15-10-8-7-9-14(15)17(20)23-12-6-4-2/h7-10H,3-6,11-13H2,1-2H3",C18H24O6,336.1572885
3256,Methyl N-methylanthranilate,85-91-6,DTXSID1052581,6826,Methyl N-methylanthranilate,GVOWHGSUZUUUDR-UHFFFAOYSA-N,Methyl 2-(methylamino)benzoate,CNC1=C(C=CC=C1)C(=O)OC,"InChI=1S/C9H11NO2/c1-10-8-6-4-3-5-7(8)9(11)12-2/h3-6,10H,1-2H3",C9H11NO2,165.0789786
3257,1-[3-Hydroxy-2-(hydroxymethyl)-2-methylpropyl] dotriacontanedioate (ACI),850347-37-4,,11192810,1-[3-Hydroxy-2-(hydroxymethyl)-2-methylpropyl] dotriacontanedioate (ACI),BHYUDDLTMRUZAI-UHFFFAOYSA-N,32-[3-hydroxy-2-(hydroxymethyl)-2-methylpropoxy]-32-oxodotriacontanoic acid,O=C(O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(C)(CO)CO,"InChI=1S/C37H72O6/c1-37(32-38,33-39)34-43-36(42)31-29-27-25-23-21-19-17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-20-22-24-26-28-30-35(40)41/h38-39H,2-34H2,1H3,(H,40,41)",C37H72O6,612.533
3258,2-Acetyl-1-pyrroline,85213-22-5,DTXSID40335080,522834,2-Acetyl-1-pyrroline,DQBQWWSFRPLIAX-UHFFFAOYSA-N,"1-(3,4-Dihydro-2H-pyrrol-5-yl)ethan-1-one",CC(=O)C1=NCCC1,"InChI=1S/C6H9NO/c1-5(8)6-3-2-4-7-6/h2-4H2,1H3",C6H9NO,111.0684139
3259,"1,2,3,4-Tetrahydro-1,1,2-trimethylnaphthalene (ACI)",85268-71-9,,12848143,"1,2,3,4-Tetrahydro-1,1,2-trimethylnaphthalene (ACI)",IAQAPEXRLKMQMO-UHFFFAOYSA-N,"3,4,4-trimethyl-2,3-dihydro-1H-naphthalene",C=1C=CC2=C(C1)CCC(C)C2(C)C,"InChI=1S/C13H18/c1-10-8-9-11-6-4-5-7-12(11)13(10,2)3/h4-7,10H,8-9H2,1-3H3",C13H18,174.141
3260,"Cyclo[3-(2-naphthalenyl)-L-alanylglycyl-D-tyrosyl-(2S)-2,4-diaminobutanoyl-L-arginyl] (9CI)",853063-04-4,,5278961,"Cyclo[3-(2-naphthalenyl)-L-alanylglycyl-D-tyrosyl-(2S)-2,4-diaminobutanoyl-L-arginyl] (9CI)",HARPNEHNTFUJLG-LAJGZZDBSA-N,"2-[3-[(2S,5S,11R,14S)-14-(2-aminoethyl)-11-[(4-hydroxyphenyl)methyl]-5-(naphthalen-2-ylmethyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]propyl]guanidine",O=C1NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC1)CC=2C=CC=3C=CC=CC3C2)CCCNC(=N)N)CCN)CC4=CC=C(O)C=C4,"InChI=1S/C34H43N9O6/c35-14-13-26-32(48)41-25(6-3-15-38-34(36)37)31(47)43-27(18-21-7-10-22-4-1-2-5-23(22)16-21)30(46)39-19-29(45)40-28(33(49)42-26)17-20-8-11-24(44)12-9-20/h1-2,4-5,7-12,16,25-28,44H,3,6,13-15,17-19,35H2,(H,39,46)(H,40,45)(H,41,48)(H,42,49)(H,43,47)(H4,36,37,38)",C34H43N9O6,673.334
3261,C10-13 chloro alkanes,85535-84-8,DTXSID40105260,,C10-13 chloro alkanes,,,,,,
3262,Cercelor S 52,85535-85-9,DTXSID2040313,,Cercelor S 52,,,,,,
3263,"3-[(1-Acetyl-4-piperidinyl)methyl]-2-amino-5-butyl-5-(cyclohexylmethyl)-3,5-dihydro-4H-imidazol-4-one (ACI)",856881-34-0,,57844676,"3-[(1-Acetyl-4-piperidinyl)methyl]-2-amino-5-butyl-5-(cyclohexylmethyl)-3,5-dihydro-4H-imidazol-4-one (ACI)",PTBYRFKPUDNRHK-UHFFFAOYSA-N,3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-butyl-5-(cyclohexylmethyl)imidazol-4-one,O=C(N1CCC(CN2C(=NC(C2=O)(CCCC)CC3CCCCC3)N)CC1)C,"InChI=1S/C22H38N4O2/c1-3-4-12-22(15-18-8-6-5-7-9-18)20(28)26(21(23)24-22)16-19-10-13-25(14-11-19)17(2)27/h18-19H,3-16H2,1-2H3,(H2,23,24)",C22H38N4O2,390.299
3264,"1,2,3,4,4a,5,6,7-Octahydro-1,1-dimethylnaphthalene (ACI)",857213-74-2,,54396788,"1,2,3,4,4a,5,6,7-Octahydro-1,1-dimethylnaphthalene (ACI)",VKNXYLFKIOFLJG-UHFFFAOYSA-N,"4,4-dimethyl-2,3,6,7,8,8a-hexahydro-1H-naphthalene",C1=C2C(CCC1)CCCC2(C)C,"InChI=1S/C12H20/c1-12(2)9-5-7-10-6-3-4-8-11(10)12/h8,10H,3-7,9H2,1-2H3",C12H20,164.157
3265,11-Methyldodecanol,85763-57-1,DTXSID7058676,33865,11-Methyldodecanol,XUJLWPFSUCHPQL-UHFFFAOYSA-N,11-Methyldodecan-1-ol,CC(C)CCCCCCCCCCO,"InChI=1S/C13H28O/c1-13(2)11-9-7-5-3-4-6-8-10-12-14/h13-14H,3-12H2,1-2H3",C13H28O,200.2140155
3266,Fluorene,86-73-7,DTXSID8024105,6853,Fluorene,NIHNNTQXNPWCJQ-UHFFFAOYSA-N,9H-Fluorene,C1C2=C(C=CC=C2)C2=C1C=CC=C2,"InChI=1S/C13H10/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12/h1-8H,9H2",C13H10,166.0782503
3267,(11Z)-12-(2-Oxiranyl)-11-dodecen-1-yl acetate,863489-15-0,DTXSID001016270,5363633,(11Z)-12-(2-Oxiranyl)-11-dodecen-1-yl acetate,SSNSHVODQWMOJI-BENRWUELSA-N,(11Z)-12-(Oxiran-2-yl)dodec-11-en-1-yl acetate,CC(=O)OCCCCCCCCCC\C=C/C1CO1,"InChI=1S/C16H28O3/c1-15(17)18-13-11-9-7-5-3-2-4-6-8-10-12-16-14-19-16/h10,12,16H,2-9,11,13-14H2,1H3/b12-10-",C16H28O3,268.2038448
3268,11-hexadecynal,86426-73-5,DTXSID70880836,557017,11-hexadecynal,CJULORNYMKTGAE-UHFFFAOYSA-N,Hexadec-11-ynal,CCCCC#CCCCCCCCCCC=O,"InChI=1S/C16H28O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h16H,2-4,7-15H2,1H3",C16H28O,236.2140155
3269,"1,8,15,22,29,36-hexaazacyclodotetracontane-2,9,16,23,30,37-hexone",865-14-5,DTXSID401016684,86071640,"1,8,15,22,29,36-Hexaazacyclodotetracontane-2,9,16,23,30,37-hexone",VIBRWXMFTOKNOM-UHFFFAOYSA-N,"1,8,15,22,29,36-Hexaazacyclodotetracontane-2,9,16,23,30,37-hexone",O=C1CCCCCNC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCCCN1,"InChI=1S/C36H66N6O6/c43-31-19-7-1-13-25-37-32(44)20-8-2-15-27-39-34(46)22-10-4-17-29-41-36(48)24-12-6-18-30-42-35(47)23-11-5-16-28-40-33(45)21-9-3-14-26-38-31/h1-30H2,(H,37,44)(H,38,43)(H,39,46)(H,40,45)(H,41,48)(H,42,47)",C36H66N6O6,678.5043839
3270,"2-Pentanone, 3,3,4,4-tetramethyl-",865-66-7,DTXSID90235602,136665,"2-Pentanone, 3,3,4,4-tetramethyl-",VVCKMVBQLNBXOE-UHFFFAOYSA-N,"3,3,4,4-Tetramethylpentan-2-one",CC(=O)C(C)(C)C(C)(C)C,"InChI=1S/C9H18O/c1-7(10)9(5,6)8(2,3)4/h1-6H3",C9H18O,142.1357652
3271,Decyl 2-chloropropanoate,86711-78-6,DTXSID90335090,522864,Decyl 2-chloropropanoate,ZULQXFOAUSXCIJ-UHFFFAOYSA-N,Decyl 2-chloropropanoate,CCCCCCCCCCOC(=O)C(C)Cl,"InChI=1S/C13H25ClO2/c1-3-4-5-6-7-8-9-10-11-16-13(15)12(2)14/h12H,3-11H2,1-2H3",C13H25ClO2,248.1543077
3272,Methyl 2-methylbutyrate,868-57-5,DTXSID1052587,13357,Methyl 2-methylbutyrate,OCWLYWIFNDCWRZ-UHFFFAOYSA-N,Methyl 2-methylbutanoate,CCC(C)C(=O)OC,"InChI=1S/C6H12O2/c1-4-5(2)6(7)8-3/h5H,4H2,1-3H3",C6H12O2,116.0837296
3273,2-Hydroxyethyl methacrylate,868-77-9,DTXSID7022128,13360,2-Hydroxyethyl methacrylate,WOBHKFSMXKNTIM-UHFFFAOYSA-N,2-Hydroxyethyl 2-methylprop-2-enoate,CC(=C)C(=O)OCCO,"InChI=1S/C6H10O3/c1-5(2)6(8)9-4-3-7/h7H,1,3-4H2,2H3",C6H10O3,130.0629942
3274,4-[ethyl(phenyl)amino]benzaldehyde,86872-96-0,DTXSID60303084,291360,4-[ethyl(phenyl)amino]benzaldehyde,DBKDVEPBROVGLY-UHFFFAOYSA-N,4-[Ethyl(phenyl)amino]benzaldehyde,CCN(C1=CC=CC=C1)C1=CC=C(C=O)C=C1,"InChI=1S/C15H15NO/c1-2-16(14-6-4-3-5-7-14)15-10-8-13(12-17)9-11-15/h3-12H,2H2,1H3",C15H15NO,225.1153641
3275,Phthalide,87-41-2,DTXSID0052594,6885,Phthalide,WNZQDUSMALZDQF-UHFFFAOYSA-N,2-Benzofuran-1(3H)-one,O=C1OCC2=CC=CC=C12,"InChI=1S/C8H6O2/c9-8-7-4-2-1-3-6(7)5-10-8/h1-4H,5H2",C8H6O2,134.0367794
3276,beta-Caryophyllene,87-44-5,DTXSID8024739,5281515,(-)-(E)-Caryophyllene,NPNUFJAVOOONJE-GFUGXAQUSA-N,"(1R,4E,9S)-4,11,11-Trimethyl-8-methylidenebicyclo[7.2.0]undec-4-ene",[H][C@]12CC(C)(C)[C@]1([H])CC\C(C)=C\CCC2=C,"InChI=1S/C15H24/c1-11-6-5-7-12(2)13-10-15(3,4)14(13)9-8-11/h6,13-14H,2,5,7-10H2,1,3-4H3/b11-6+/t13-,14-/m1/s1",C15H24,204.1878008
3277,"1,2,3-Trichlorobenzene",87-61-6,DTXSID8026193,6895,"1,2,3-Trichlorobenzene",RELMFMZEBKVZJC-UHFFFAOYSA-N,"1,2,3-Trichlorobenzene",ClC1=CC=CC(Cl)=C1Cl,InChI=1S/C6H3Cl3/c7-4-2-1-3-5(8)6(4)9/h1-3H,C6H3Cl3,179.9300332
3278,"2,6-Dimethylaniline",87-62-7,DTXSID8026307,6896,"2,6-Dimethylaniline",UFFBMTHBGFGIHF-UHFFFAOYSA-N,"2,6-Dimethylaniline",CC1=CC=CC(C)=C1N,"InChI=1S/C8H11N/c1-6-4-3-5-7(2)8(6)9/h3-5H,9H2,1-2H3",C8H11N,121.0891494
3279,"Hexachloro-1,3-butadiene",87-68-3,DTXSID7020683,6901,"Hexachloro-1,3-butadiene",RWNKSTSCBHKHTB-UHFFFAOYSA-N,"1,1,2,3,4,4-Hexachlorobuta-1,3-diene",ClC(Cl)=C(Cl)C(Cl)=C(Cl)Cl,InChI=1S/C4Cl6/c5-1(3(7)8)2(6)4(9)10,C4Cl6,257.8131162
3280,Hexabromobenzene,87-82-1,DTXSID1024128,6905,Hexabromobenzene,CAYGQBVSOZLICD-UHFFFAOYSA-N,Hexabromobenzene,BrC1=C(Br)C(Br)=C(Br)C(Br)=C1Br,InChI=1S/C6Br6/c7-1-2(8)4(10)6(12)5(11)3(1)9,C6Br6,545.510028
3281,Pentabromotoluene,87-83-2,DTXSID3025833,6906,Pentabromotoluene,OZHJEQVYCBTHJT-UHFFFAOYSA-N,"1,2,3,4,5-Pentabromo-6-methylbenzene",CC1=C(Br)C(Br)=C(Br)C(Br)=C1Br,InChI=1S/C7H3Br5/c1-2-3(8)5(10)7(12)6(11)4(2)9/h1H3,C7H3Br5,481.615165
3282,Pentachlorophenol,87-86-5,DTXSID7021106,992,Pentachlorophenol,IZUPBVBPLAPZRR-UHFFFAOYSA-N,Pentachlorophenol,OC1=C(Cl)C(Cl)=C(Cl)C(Cl)=C1Cl,InChI=1S/C6HCl5O/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H,C6HCl5O,263.8470032
3283,Ethyl 762,87-97-8,DTXSID40236043,6911,Ethyl 762,SCXYLTWTWUGEAA-UHFFFAOYSA-N,"2,6-Di-tert-butyl-4-(methoxymethyl)phenol",COCC1=CC(=C(O)C(=C1)C(C)(C)C)C(C)(C)C,"InChI=1S/C16H26O2/c1-15(2,3)12-8-11(10-18-7)9-13(14(12)17)16(4,5)6/h8-9,17H,10H2,1-7H3",C16H26O2,250.1932801
3284,"rel-(1R,3aR,8aR)-1,2,3,3a,4,5,7,8-Octahydro-1,4,4,6-tetramethylcyclopenta[c]pentalene (ACI)",871660-96-7,,102131466,"rel-(1R,3aR,8aR)-1,2,3,3a,4,5,7,8-Octahydro-1,4,4,6-tetramethylcyclopenta[c]pentalene (ACI)",ZRXJARPSARBQCO-CORIIIEPSA-N,"(1S,8S,11S)-4,7,7,11-tetramethyltricyclo[6.3.0.01,5]undec-4-ene",C1(=C2CC(C)(C)C3CCC(C)C23CC1)C,"InChI=1S/C15H24/c1-10-7-8-15-11(2)5-6-13(15)14(3,4)9-12(10)15/h11,13H,5-9H2,1-4H3",C15H24,204.188
3285,N-Methyl-2-pyrrolidone,872-50-4,DTXSID6020856,13387,N-Methyl-2-pyrrolidone,SECXISVLQFMRJM-UHFFFAOYSA-N,1-Methylpyrrolidin-2-one,CN1CCCC1=O,"InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3",C5H9NO,99.06841391
3286,Cyclopentanecarbaldehyde,872-53-7,DTXSID10236176,70106,Cyclopentanecarbaldehyde,VELDYOPRLMJFIK-UHFFFAOYSA-N,Cyclopentanecarbaldehyde,O=CC1CCCC1,"InChI=1S/C6H10O/c7-5-6-3-1-2-4-6/h5-6H,1-4H2",C6H10O,98.07316494
3287,Cyclopropylbenzene,873-49-4,DTXSID2074297,70112,Cyclopropylbenzene,VFSFCYAQBIPUSL-UHFFFAOYSA-N,Cyclopropylbenzene,C1CC1C1=CC=CC=C1,"InChI=1S/C9H10/c1-2-4-8(5-3-1)9-6-7-9/h1-5,9H,6-7H2",C9H10,118.0782503
3288,"3,3,5-Trimethylcyclohexanone",873-94-9,DTXSID5044996,13398,"3,3,5-Trimethylcyclohexanone",POSWICCRDBKBMH-UHFFFAOYSA-N,"3,3,5-Trimethylcyclohexan-1-one",CC1CC(=O)CC(C)(C)C1,"InChI=1S/C9H16O/c1-7-4-8(10)6-9(2,3)5-7/h7H,4-6H2,1-3H3",C9H16O,140.1201151
3289,"Methyl hexadeca-4,7,10,13-tetraenoate",873108-81-7,DTXSID10832672,71413142,"Methyl hexadeca-4,7,10,13-tetraenoate",GRTBKGOZZPTTEE-UHFFFAOYSA-N,"Methyl hexadeca-4,7,10,13-tetraenoate",CCC=CCC=CCC=CCC=CCCC(=O)OC,"InChI=1S/C17H26O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19-2/h4-5,7-8,10-11,13-14H,3,6,9,12,15-16H2,1-2H3",C17H26O2,262.1932801
3290,"N-(1,3-Dihydro-3-oxo-5-isobenzofuranyl)benzamide (ACI)",873395-19-8,,569440,"N-(1,3-Dihydro-3-oxo-5-isobenzofuranyl)benzamide (ACI)",VFZQBZVIVQOFMH-UHFFFAOYSA-N,N-(3-oxo-1H-2-benzofuran-5-yl)benzamide,O=C1OCC2=CC=C(C=C12)NC(=O)C=3C=CC=CC3,"InChI=1S/C15H11NO3/c17-14(10-4-2-1-3-5-10)16-12-7-6-11-9-19-15(18)13(11)8-12/h1-8H,9H2,(H,16,17)",C15H11NO3,253.074
3291,"1,3-Dimethyl-4-ethylbenzene",874-41-9,DTXSID0061246,13403,"1,3-Dimethyl-4-ethylbenzene",MEMBJMDZWKVOTB-UHFFFAOYSA-N,"1-Ethyl-2,4-dimethylbenzene",CCC1=C(C)C=C(C)C=C1,"InChI=1S/C10H14/c1-4-10-6-5-8(2)7-9(10)3/h5-7H,4H2,1-3H3",C10H14,134.1095505
3292,"(4Z,6Z,9Z)-4,6,9-Nonadecatriene",874302-34-8,DTXSID901016215,5362863,"(4Z,6Z,9Z)-4,6,9-Nonadecatriene",NGBDUKKBGSGZKF-FVRZMWRVSA-N,"(4Z,6Z,9Z)-Nonadeca-4,6,9-triene",CCCCCCCCC\C=C/C\C=C/C=C\CCC,"InChI=1S/C19H34/c1-3-5-7-9-11-13-15-17-19-18-16-14-12-10-8-6-4-2/h7,9,11,13,17,19H,3-6,8,10,12,14-16,18H2,1-2H3/b9-7-,13-11-,19-17-",C19H34,262.2660511
3293,"1,4-Diphenyl-2,3-diazabicyclo[2.2.2]oct-2-ene",87433-33-8,DTXSID20342515,582581,"1,4-Diphenyl-2,3-diazabicyclo[2.2.2]oct-2-ene",OHTYVHWSSUUPHV-UHFFFAOYSA-N,"1,4-Diphenyl-2,3-diazabicyclo[2.2.2]oct-2-ene",C1CC2(CCC1(N=N2)C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C18H18N2/c1-3-7-15(8-4-1)17-11-13-18(14-12-17,20-19-17)16-9-5-2-6-10-16/h1-10H,11-14H2",C18H18N2,262.1469986
3294,"Octanoic acid, (1R)-1-[[(hydroxymercaptophosphinyl)oxy]methyl]-1,2-ethanediyl ester (9CI, ACI)",876348-24-2,,11568387,"Octanoic acid, (1R)-1-[[(hydroxymercaptophosphinyl)oxy]methyl]-1,2-ethanediyl ester (9CI, ACI)",CUXSKJSPPDINEH-QGZVFWFLSA-N,[(2R)-3-dihydroxyphosphinothioyloxy-2-octanoyloxypropyl] octanoate,O=C(OCC(OC(=O)CCCCCCC)COP(=O)(O)S)CCCCCCC,"InChI=1S/C19H37O7PS/c1-3-5-7-9-11-13-18(20)24-15-17(16-25-27(22,23)28)26-19(21)14-12-10-8-6-4-2/h17H,3-16H2,1-2H3,(H2,22,23,28)",C19H37O7PS,440.2
3295,"(2S,3R,4R,5R,6R)-2-Heptadecyltetrahydro-6-(hydroxymethyl)-2H-pyran-3,4,5-triol (ACI)",878004-00-3,,,"(2S,3R,4R,5R,6R)-2-Heptadecyltetrahydro-6-(hydroxymethyl)-2H-pyran-3,4,5-triol (ACI)",HNCKPDHZHUSORH-MFKCLSPESA-N,,OCC1OC(CCCCCCCCCCCCCCCCC)C(O)C(O)C1O,"InChI=1S/C23H46O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-21(25)23(27)22(26)20(18-24)28-19/h19-27H,2-18H2,1H3",,
3296,"1,2,3-Trimethylnaphthalene",879-12-9,DTXSID00236685,70145,"1,2,3-Trimethylnaphthalene",RQHPYGROUIBUSW-UHFFFAOYSA-N,"1,2,3-Trimethylnaphthalene",CC1=CC2=CC=CC=C2C(C)=C1C,"InChI=1S/C13H14/c1-9-8-12-6-4-5-7-13(12)11(3)10(9)2/h4-8H,1-3H3",C13H14,170.1095505
3297,"(13S)-13-Hydroxyoctadeca-9,11,15-trienoic acid",87984-82-5,DTXSID201349275,16061072,"13S-hydroxy-9Z,11E,15Z-octadecatrienoic acid",KLLGGGQNRTVBSU-FQSPHKRJSA-N,,CC\C=C/C[C@H](O)\C=C\C=C/CCCCCCCC(O)=O,"InChI=1S/C18H30O3/c1-2-3-11-14-17(19)15-12-9-7-5-4-6-8-10-13-16-18(20)21/h3,7,9,11-12,15,17,19H,2,4-6,8,10,13-14,16H2,1H3,(H,20,21)/b9-7-,11-3-,15-12+/t17-/m0/s1",C18H30O3,294.2194948
3298,Vinylpyrrolidone,88-12-0,DTXSID2021440,6917,Vinylpyrrolidone,WHNWPMSKXPGLAX-UHFFFAOYSA-N,,C=CN1CCCC1=O,"InChI=1S/C6H9NO/c1-2-7-5-3-4-6(7)8/h2H,1,3-5H2",C6H9NO,111.0684139
3299,2-tert-Butylphenol,88-18-6,DTXSID2026525,6923,2-tert-Butylphenol,WJQOZHYUIDYNHM-UHFFFAOYSA-N,2-tert-Butylphenol,CC(C)(C)C1=C(O)C=CC=C1,"InChI=1S/C10H14O/c1-10(2,3)8-6-4-5-7-9(8)11/h4-7,11H,1-3H3",C10H14O,150.1044651
3300,o-Toluenesulfonamide,88-19-7,DTXSID7021362,90750087,o-Toluenesulfonamide,YCMLQMDWSXFTIF-UHFFFAOYSA-N,2-Methylbenzene-1-sulfonamide,CC1=C(C=CC=C1)S(N)(=O)=O,"InChI=1S/C7H9NO2S/c1-6-4-2-3-5-7(6)11(8,9)10/h2-5H,1H3,(H2,8,9,10)",C7H9NO2S,171.0353997
3301,"2,2'-Methylenebis(ethyl-6-tert-butylphenol)",88-24-4,DTXSID7038864,6928,"2,2'-Methylenebis(ethyl-6-tert-butylphenol)",GPNYZBKIGXGYNU-UHFFFAOYSA-N,"2,2'-Methylenebis(6-tert-butyl-4-ethylphenol)",CCC1=CC(CC2=C(O)C(=CC(CC)=C2)C(C)(C)C)=C(O)C(=C1)C(C)(C)C,"InChI=1S/C25H36O2/c1-9-16-11-18(22(26)20(13-16)24(3,4)5)15-19-12-17(10-2)14-21(23(19)27)25(6,7)8/h11-14,26-27H,9-10,15H2,1-8H3",C25H36O2,368.2715304
3302,"2,6-Di-tert-butyl-4-(hydroxymethyl)phenol",88-26-6,DTXSID7020211,6929,"2,6-Di-tert-butyl-4-(hydroxymethyl)phenol",HNURKXXMYARGAY-UHFFFAOYSA-N,"2,6-Di-tert-butyl-4-(hydroxymethyl)phenol",CC(C)(C)C1=CC(CO)=CC(=C1O)C(C)(C)C,"InChI=1S/C15H24O2/c1-14(2,3)11-7-10(9-16)8-12(13(11)17)15(4,5)6/h7-8,16-17H,9H2,1-6H3",C15H24O2,236.17763
3303,"7-Acetyl-6-ethyl-1,1,4,4-tetramethyltetralin",88-29-9,DTXSID3041582,6930,"7-Acetyl-6-ethyl-1,1,4,4-tetramethyltetralin",KSEZPRJUTHMFGZ-UHFFFAOYSA-N,"1-(3-Ethyl-5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethan-1-one",CCC1=CC2=C(C=C1C(C)=O)C(C)(C)CCC2(C)C,"InChI=1S/C18H26O/c1-7-13-10-15-16(11-14(13)12(2)19)18(5,6)9-8-17(15,3)4/h10-11H,7-9H2,1-6H3",C18H26O,258.1983655
3304,"Phenol, 3-(1,1-dimethylethyl)-4-methoxy-",88-32-4,DTXSID7058963,6932,"Phenol, 3-(1,1-dimethylethyl)-4-methoxy-",IMOYOUMVYICGCA-UHFFFAOYSA-N,3-tert-Butyl-4-methoxyphenol,COC1=C(C=C(O)C=C1)C(C)(C)C,"InChI=1S/C11H16O2/c1-11(2,3)9-7-8(12)5-6-10(9)13-4/h5-7,12H,1-4H3",C11H16O2,180.1150298
3305,"2,5-Di-tert-butylbenzene-1,4-diol",88-58-4,DTXSID8041248,2374,"2,5-Di-tert-butylbenzene-1,4-diol",JZODKRWQWUWGCD-UHFFFAOYSA-N,"2,5-Di-tert-butylbenzene-1,4-diol",CC(C)(C)C1=CC(O)=C(C=C1O)C(C)(C)C,"InChI=1S/C14H22O2/c1-13(2,3)9-7-12(16)10(8-11(9)15)14(4,5)6/h7-8,15-16H,1-6H3",C14H22O2,222.1619799
3306,2-Tert-Butyl-5-methylphenol,88-60-8,DTXSID2026529,6937,2-Tert-Butyl-5-methylphenol,XOUQAVYLRNOXDO-UHFFFAOYSA-N,2-tert-Butyl-5-methylphenol,CC1=CC(O)=C(C=C1)C(C)(C)C,"InChI=1S/C11H16O/c1-8-5-6-9(10(12)7-8)11(2,3)4/h5-7,12H,1-4H3",C11H16O,164.1201151
3307,2-Isopropylphenol,88-69-7,DTXSID2044391,6943,2-Isopropylphenol,CRBJBYGJVIBWIY-UHFFFAOYSA-N,2-(Propan-2-yl)phenol,CC(C)C1=C(O)C=CC=C1,"InChI=1S/C9H12O/c1-7(2)8-5-3-4-6-9(8)10/h3-7,10H,1-2H3",C9H12O,136.088815
3308,2-Nitrotoluene,88-72-2,DTXSID4025791,6944,2-Nitrotoluene,PLAZTCDQAHEYBI-UHFFFAOYSA-N,1-Methyl-2-nitrobenzene,CC1=CC=CC=C1[N+]([O-])=O,"InChI=1S/C7H7NO2/c1-6-4-2-3-5-7(6)8(9)10/h2-5H,1H3",C7H7NO2,137.0476785
3309,"(1S,4S)-1,4-Dimethyl-7-(propan-2-ylidene)-1,2,3,4,5,6,7,8-octahydroazulene",88-84-6,DTXSID5052599,15560252,beta-Guaiene,GIBQERSGRNPMEH-RYUDHWBXSA-N,"(1S,4S)-1,4-Dimethyl-7-(propan-2-ylidene)-1,2,3,4,5,6,7,8-octahydroazulene",C[C@H]1CCC2=C1CC(CC[C@@H]2C)=C(C)C,"InChI=1S/C15H24/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h11-12H,5-9H2,1-4H3/t11-,12-/m0/s1",C15H24,204.1878008
3310,Phthalic acid,88-99-3,DTXSID8021484,1017,Phthalic acid,XNGIFLGASWRNHJ-UHFFFAOYSA-N,"Benzene-1,2-dicarboxylic acid",OC(=O)C1=CC=CC=C1C(O)=O,"InChI=1S/C8H6O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H,(H,9,10)(H,11,12)",C8H6O4,166.0266087
3311,"ethyl 2-(5-amino-1,3,4-thiadiazol-2-yl)acetate",88124-55-4,DTXSID80303364,292304,"ethyl 2-(5-amino-1,3,4-thiadiazol-2-yl)acetate",AHRAVYTUHNLCHS-UHFFFAOYSA-N,"Ethyl (5-amino-1,3,4-thiadiazol-2-yl)acetate",CCOC(=O)CC1=NN=C(N)S1,"InChI=1S/C6H9N3O2S/c1-2-11-5(10)3-4-8-9-6(7)12-4/h2-3H2,1H3,(H2,7,9)",C6H9N3O2S,187.0415477
3312,Diphenyl disulfide,882-33-7,DTXSID6022131,13436,Diphenyl disulfide,GUUVPOWQJOLRAS-UHFFFAOYSA-N,"1,1'-Disulfanediyldibenzene",S(SC1=CC=CC=C1)C1=CC=CC=C1,InChI=1S/C12H10S2/c1-3-7-11(8-4-1)13-14-12-9-5-2-6-10-12/h1-10H,C12H10S2,218.0223927
3313,"1,2,3-Trideoxy-4,6:5,7-bis-O-((4-propylphenyl)methylene)-nonitol",882073-43-0,DTXSID201019882,58995446,"1,2,3-Trideoxy-4,6:5,7-bis-O-[(4-propylphenyl)methylene]nonitol",PIYNPBVOTLQBTC-UHFFFAOYSA-N,"1-[8-Propyl-2,6-bis(4-propylphenyl)tetrahydro-2H,6H-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl]ethane-1,2-diol",CCCC1OC(OC2C(OC(OC12)C1=CC=C(CCC)C=C1)C(O)CO)C1=CC=C(CCC)C=C1,"InChI=1S/C29H40O6/c1-4-7-19-10-14-21(15-11-19)28-32-24(9-6-3)26-27(35-28)25(23(31)18-30)33-29(34-26)22-16-12-20(8-5-2)13-17-22/h10-17,23-31H,4-9,18H2,1-3H3",C29H40O6,484.282489
3314,2-Phenylbenzothiazole,883-93-2,DTXSID80236946,13439,2-Phenylbenzothiazole,XBHOUXSGHYZCNH-UHFFFAOYSA-N,"2-Phenyl-1,3-benzothiazole",S1C2=CC=CC=C2N=C1C1=CC=CC=C1,InChI=1S/C13H9NS/c1-2-6-10(7-3-1)13-14-11-8-4-5-9-12(11)15-13/h1-9H,C13H9NS,211.0455705
3315,Isospathulenol,88395-46-4,DTXSID801317331,102303030,Isospathulenol,FPRYGNYXOFHMLF-BHPKHCPMSA-N,"(7S,7aS,7bR)-1,1,4,7-Tetramethyl-1a,2,3,5,6,7,7a,7b-octahydro-1H-cyclopropa[e]azulen-7-ol",CC1=C2CC[C@](C)(O)[C@H]2[C@H]2[C@@H](CC1)C2(C)C,"InChI=1S/C15H24O/c1-9-5-6-11-13(14(11,2)3)12-10(9)7-8-15(12,4)16/h11-13,16H,5-8H2,1-4H3/t11-,12-,13-,15+/m1/s1",C15H24O,220.1827154
3316,"2-Amino-3-cyano-4-(4-methylphenyl)-4H-1-benzopyran-7-yl 3,6-dimethyl-2-benzofurancarboxylate (ACI)",885819-44-3,,19127916,"2-Amino-3-cyano-4-(4-methylphenyl)-4H-1-benzopyran-7-yl 3,6-dimethyl-2-benzofurancarboxylate (ACI)",SGRDIOAVTYKODI-UHFFFAOYSA-N,"[2-amino-3-cyano-4-(4-methylphenyl)-4H-chromen-7-yl] 3,6-dimethyl-1-benzofuran-2-carboxylate",N#CC1=C(OC2=CC(OC(=O)C=3OC=4C=C(C=CC4C3C)C)=CC=C2C1C5=CC=C(C=C5)C)N,"InChI=1S/C28H22N2O4/c1-15-4-7-18(8-5-15)25-21-11-9-19(13-24(21)34-27(30)22(25)14-29)32-28(31)26-17(3)20-10-6-16(2)12-23(20)33-26/h4-13,25H,30H2,1-3H3",C28H22N2O4,450.158
3317,"Benzene, 1,1'-(1,3-butadiyne-1,4-diyl)bis-",886-66-8,DTXSID8061264,70174,"Benzene, 1,1'-(1,3-butadiyne-1,4-diyl)bis-",HMQFJYLWNWIYKQ-UHFFFAOYSA-N,"1,1'-(Buta-1,3-diyne-1,4-diyl)dibenzene",C1=CC=C(C=C1)C#CC#CC1=CC=CC=C1,"InChI=1S/C16H10/c1-3-9-15(10-4-1)13-7-8-14-16-11-5-2-6-12-16/h1-6,9-12H",C16H10,202.0782503
3318,"1,1'-Biphenyl, 2,3,3',4,4',5,5'-heptabromo-",88700-06-5,DTXSID00237253,181950,"1,1'-Biphenyl, 2,3,3',4,4',5,5'-heptabromo-",JXWDAVSERCQYSS-UHFFFAOYSA-N,"2,3,3',4,4',5,5'-Heptabromo-1,1'-biphenyl",BrC1=CC(=CC(Br)=C1Br)C1=CC(Br)=C(Br)C(Br)=C1Br,InChI=1S/C12H3Br7/c13-6-1-4(2-7(14)10(6)17)5-3-8(15)11(18)12(19)9(5)16/h1-3H,C12H3Br7,699.451841
3319,"2,4,4-Trimethyl-3-(3-methylbutyl)-2-cyclohexen-1-one (ACI)",88725-82-0,,586301,"2,4,4-Trimethyl-3-(3-methylbutyl)-2-cyclohexen-1-one (ACI)",QMUFRTAEUWRLRT-UHFFFAOYSA-N,"2,4,4-trimethyl-3-(3-methylbutyl)cyclohex-2-en-1-one",O=C1C(=C(CCC(C)C)C(C)(C)CC1)C,"InChI=1S/C14H24O/c1-10(2)6-7-12-11(3)13(15)8-9-14(12,4)5/h10H,6-9H2,1-5H3",C14H24O,208.183
3320,"Benzene, 1,1?-[1,40-tetracontanediylbis(oxy)]bis[4-(1,1-dimethylethyl)-2-ethynyl- (9CI)",887369-27-9,,11643656,"Benzene, 1,1?-[1,40-tetracontanediylbis(oxy)]bis[4-(1,1-dimethylethyl)-2-ethynyl- (9CI)",SIJYLPMQJHLKOT-UHFFFAOYSA-N,4-tert-butyl-1-[40-(4-tert-butyl-2-ethynylphenoxy)tetracontoxy]-2-ethynylbenzene,C#CC1=CC(=CC=C1OCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC2=CC=C(C=C2C#C)C(C)(C)C)C(C)(C)C,"InChI=1S/C64H106O2/c1-9-57-55-59(63(3,4)5)49-51-61(57)65-53-47-45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-46-48-54-66-62-52-50-60(64(6,7)8)56-58(62)10-2/h1-2,49-52,55-56H,11-48,53-54H2,3-8H3",C64H106O2,906.819
3321,"L-Aspartic acid, N-[N-[N-(3-amino-5-methyl-1-oxohexyl)-L-valyl]-L-valyl]-, (R)- (9CI)",88825-97-2,,,"L-Aspartic acid, N-[N-[N-(3-amino-5-methyl-1-oxohexyl)-L-valyl]-L-valyl]-, (R)- (9CI)",OTLDBIVULRZFDG-UHFFFAOYSA-N,,O=C(O)CC(NC(=O)C(NC(=O)C(NC(=O)CC(N)CC(C)C)C(C)C)C(C)C)C(=O)O,"InChI=1S/C21H38N4O7/c1-10(2)7-13(22)8-15(26)24-17(11(3)4)20(30)25-18(12(5)6)19(29)23-14(21(31)32)9-16(27)28/h10-14,17-18H,7-9,22H2,1-6H3,(H,23,29)(H,24,26)(H,25,30)(H,27,28)(H,31,32)",,
3322,Butyl decyl phthalate,89-19-0,DTXSID7052600,6963,Butyl decyl phthalate,NJMAFLHPUNGKOD-UHFFFAOYSA-N,"Butyl decyl benzene-1,2-dicarboxylate",CCCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCC,"InChI=1S/C22H34O4/c1-3-5-7-8-9-10-11-14-18-26-22(24)20-16-13-12-15-19(20)21(23)25-17-6-4-2/h12-13,15-16H,3-11,14,17-18H2,1-2H3",C22H34O4,362.2457096
3323,2-(Butan-2-yl)phenol,89-72-5,DTXSID2022331,6984,2-(Butan-2-yl)phenol,NGFPWHGISWUQOI-UHFFFAOYSA-N,2-(Butan-2-yl)phenol,CCC(C)C1=C(O)C=CC=C1,"InChI=1S/C10H14O/c1-3-8(2)9-6-4-5-7-10(9)11/h4-8,11H,3H2,1-2H3",C10H14O,150.1044651
3324,dl-Menthone,89-80-5,DTXSID2044478,,dl-Menthone,NFLGAXVYCFJBMK-MASDURLHNA-N,"(2R,5S)-5-Methyl-2-(propan-2-yl)cyclohexan-1-one",CC(C)[C@@H]1CC[C@@H](C)CC1=O,"InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-9H,4-6H2,1-3H3/t8-,9+/m1/s1",C10H18O,154.1357652
3325,R-(+)-Pulegone,89-82-7,DTXSID2025975,442495,R-(+)-Pulegone,NZGWDASTMWDZIW-MRVPVSSYSA-N,(5R)-5-Methyl-2-(propan-2-ylidene)cyclohexan-1-one,C[C@@H]1CCC(=C(C)C)C(=O)C1,"InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)6-10(9)11/h8H,4-6H2,1-3H3/t8-/m1/s1",C10H16O,152.1201151
3326,Thymol,89-83-8,DTXSID6034972,6989,Thymol,MGSRCZKZVOBKFT-UHFFFAOYSA-N,5-Methyl-2-(propan-2-yl)phenol,CC(C)C1=CC=C(C)C=C1O,"InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h4-7,11H,1-3H3",C10H14O,150.1044651
3327,"D-Galactose, 6-O-(2-methoxy-2-oxoethyl)-, 2,3,4-triacetate (9CI, ACI)",890028-42-9,,,"D-Galactose, 6-O-(2-methoxy-2-oxoethyl)-, 2,3,4-triacetate (9CI, ACI)",BCQVLKBOIMRYQL-PAPYEOQZSA-N,,O=CC(OC(=O)C)C(OC(=O)C)C(OC(=O)C)C(O)COCC(=O)OC,"InChI=1S/C15H22O11/c1-8(17)24-12(5-16)15(26-10(3)19)14(25-9(2)18)11(20)6-23-7-13(21)22-4/h5,11-12,14-15,20H,6-7H2,1-4H3",,
3328,Triphenylstannane,892-20-6,DTXSID40893312,6460,Triphenylstannane,NFHRNKANAAGQOH-UHFFFAOYSA-N,Triphenylstannane,C1=CC=C(C=C1)[SnH](C1=CC=CC=C1)C1=CC=CC=C1,InChI=1S/3C6H5.Sn.H/c3*1-2-4-6-5-3-1;;/h3*1-5H;;,C18H16Sn,352.027403
3329,"2,2'-isopropylidenebis(tetrahydrofuran)",89686-69-1,DTXSID10869029,551484,"2,2'-isopropylidenebis(tetrahydrofuran)",FZLHAQMQWDDWFI-UHFFFAOYSA-N,"2,2'-(Propane-2,2-diyl)bis(oxolane)",CC(C)(C1CCCO1)C1CCCO1,"InChI=1S/C11H20O2/c1-11(2,9-5-3-7-12-9)10-6-4-8-13-10/h9-10H,3-8H2,1-2H3",C11H20O2,184.1463299
3330,"1,7-Dimethyldibenzothiophene",89816-53-5,DTXSID00237910,177222,"1,7-Dimethyldibenzothiophene",VFQYQNKOTDCRKH-UHFFFAOYSA-N,"1,7-Dimethyldibenzo[b,d]thiophene",CC1=CC2=C(C=C1)C1=C(C)C=CC=C1S2,"InChI=1S/C14H12S/c1-9-6-7-11-13(8-9)15-12-5-3-4-10(2)14(11)12/h3-8H,1-2H3",C14H12S,212.0659716
3331,"Dibenzothiophene, 2,6-dimethyl-",89816-75-1,DTXSID20237912,184987,"Dibenzothiophene, 2,6-dimethyl-",VJHNZTLASSCMOQ-UHFFFAOYSA-N,"2,6-Dimethyldibenzo[b,d]thiophene",CC1=CC2=C(SC3=C(C)C=CC=C23)C=C1,"InChI=1S/C14H12S/c1-9-6-7-13-12(8-9)11-5-3-4-10(2)14(11)15-13/h3-8H,1-2H3",C14H12S,212.0659716
3332,3-ethyldibenzothiophene,89816-98-8,DTXSID90423840,6428539,3-ethyldibenzothiophene,OIWTUZCEIKRYCP-UHFFFAOYSA-N,"2-Ethyldibenzo[b,d]thiophene",CCC1=CC2=C(SC3=CC=CC=C23)C=C1,"InChI=1S/C14H12S/c1-2-10-7-8-14-12(9-10)11-5-3-4-6-13(11)15-14/h3-9H,2H2,1H3",C14H12S,212.0659716
3333,"2(5H)-Furanone, 4,5,5-trimethyl-3-(3-methyl-2-methylenebutyl)-",89902-33-0,DTXSID30336829,536585,"2(5H)-Furanone, 4,5,5-trimethyl-3-(3-methyl-2-methylenebutyl)-",QLGACDJHDZHSAF-UHFFFAOYSA-N,"4,5,5-Trimethyl-3-(3-methyl-2-methylidenebutyl)furan-2(5H)-one",CC(C)C(=C)CC1=C(C)C(C)(C)OC1=O,"InChI=1S/C13H20O2/c1-8(2)9(3)7-11-10(4)13(5,6)15-12(11)14/h8H,3,7H2,1-2,4-6H3",C13H20O2,208.1463299
3334,2-Aminooctadec-14-en-1-ol,89962-22-1,DTXSID30756124,71327011,2-Aminooctadec-14-en-1-ol,BQVDPIUYKUJERZ-UHFFFAOYSA-N,2-Aminooctadec-14-en-1-ol,CCCC=CCCCCCCCCCCCC(N)CO,"InChI=1S/C18H37NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(19)17-20/h4-5,18,20H,2-3,6-17,19H2,1H3",C18H37NO,283.2875148
3335,2-Anisidine,90-04-0,DTXSID5023877,7000,2-Anisidine,VMPITZXILSNTON-UHFFFAOYSA-N,2-Methoxyaniline,COC1=CC=CC=C1N,"InChI=1S/C7H9NO/c1-9-7-5-3-2-4-6(7)8/h2-5H,8H2,1H3",C7H9NO,123.0684139
3336,2-Methoxyphenol,90-05-1,DTXSID0023113,460,2-Methoxyphenol,LHGVFZTZFXWLCP-UHFFFAOYSA-N,2-Methoxyphenol,COC1=C(O)C=CC=C1,"InChI=1S/C7H8O2/c1-9-7-5-3-2-4-6(7)8/h2-5,8H,1H3",C7H8O2,124.0524295
3337,1-Methylnaphthalene,90-12-0,DTXSID9020877,7002,1-Methylnaphthalene,QPUYECUOLPXSFR-UHFFFAOYSA-N,1-Methylnaphthalene,CC1=C2C=CC=CC2=CC=C1,"InChI=1S/C11H10/c1-9-5-4-7-10-6-2-3-8-11(9)10/h2-8H,1H3",C11H10,142.0782503
3338,1-Naphthol,90-15-3,DTXSID6021793,7005,1-Naphthol,KJCVRFUGPWSIIH-UHFFFAOYSA-N,Naphthalen-1-ol,OC1=CC=CC2=CC=CC=C12,"InChI=1S/C10H8O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7,11H",C10H8O,144.0575149
3339,"2,2,2-Trichloro-1-phenylethyl acetate",90-17-5,DTXSID2047725,7007,"2,2,2-Trichloro-1-phenylethyl acetate",JKRWZLOCPLZZEI-UHFFFAOYSA-N,"2,2,2-Trichloro-1-phenylethyl acetate",CC(=O)OC(C1=CC=CC=C1)C(Cl)(Cl)Cl,"InChI=1S/C10H9Cl3O2/c1-7(14)15-9(10(11,12)13)8-5-3-2-4-6-8/h2-6,9H,1H3",C10H9Cl3O2,265.9668126
3340,(+/-)-2-Phenylbutyramide,90-26-6,DTXSID60870423,7011,(+/-)-2-Phenylbutyramide,UNFGQCCHVMMMRF-UHFFFAOYSA-N,2-Phenylbutanamide,CCC(C(N)=O)C1=CC=CC=C1,"InChI=1S/C10H13NO/c1-2-9(10(11)12)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3,(H2,11,12)",C10H13NO,163.099714
3341,"1,1'-Bi(cyclohexyl)-2-one",90-42-6,DTXSID8047424,7016,"1,1'-Bi(cyclohexyl)-2-one",UOBQDYFTAJKQAL-UHFFFAOYSA-N,"[1,1'-Bi(cyclohexan)]-2-one",O=C1CCCCC1C1CCCCC1,"InChI=1S/C12H20O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h10-11H,1-9H2",C12H20O,180.1514153
3342,2-Phenylphenol,90-43-7,DTXSID2021151,7017,2-Phenylphenol,LLEMOWNGBBNAJR-UHFFFAOYSA-N,"[1,1'-Biphenyl]-2-ol",OC1=C(C=CC=C1)C1=CC=CC=C1,"InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H",C12H10O,170.0731649
3343,"6,6'-Di-tert-butyl-2,2'-thiodi-p-cresol",90-66-4,DTXSID7059012,66661,"6,6'-Di-tert-butyl-2,2'-thiodi-p-cresol",MQWCQFCZUNBTCM-UHFFFAOYSA-N,"2,2'-Sulfanediylbis(6-tert-butyl-4-methylphenol)",CC1=CC(SC2=CC(C)=CC(=C2O)C(C)(C)C)=C(O)C(=C1)C(C)(C)C,"InChI=1S/C22H30O2S/c1-13-9-15(21(3,4)5)19(23)17(11-13)25-18-12-14(2)10-16(20(18)24)22(6,7)8/h9-12,23-24H,1-8H3",C22H30O2S,358.1966514
3344,Brominated diphenyl ethers,90193-67-2,DTXSID70107595,,Brominated diphenyl ethers,,,,,,
3345,Decahydro-1-methyl-2-methylenenaphthalene,90548-09-7,DTXSID40873316,565675,Decahydro-1-methyl-2-methylenenaphthalene,FHUBBNKIBOEBJN-UHFFFAOYSA-N,1-Methyl-2-methylidenedecahydronaphthalene,CC1C2CCCCC2CCC1=C,"InChI=1S/C12H20/c1-9-7-8-11-5-3-4-6-12(11)10(9)2/h10-12H,1,3-8H2,2H3",C12H20,164.1565006
3346,Alkanes C10-16-branched and linear,90622-52-9,DTXSID6051437,,Alkanes C10-16-branched and linear,,,,,,
3347,"N,N?-1,4-Butanediylbis[hexadecanamide] (ACI)",908108-97-4,,283616,"N,N?-1,4-Butanediylbis[hexadecanamide] (ACI)",PDCBGMZFFVIOTG-UHFFFAOYSA-N,N-[4-(hexadecanoylamino)butyl]hexadecanamide,O=C(NCCCCNC(=O)CCCCCCCCCCCCCCC)CCCCCCCCCCCCCCC,"InChI=1S/C36H72N2O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-31-35(39)37-33-29-30-34-38-36(40)32-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-34H2,1-2H3,(H,37,39)(H,38,40)",C36H72N2O2,564.559
3348,"N-[2-Chloro-11-(4-methyl-1-piperazinyl)-5H-dibenzo[b,e][1,4]diazepin-5-yl]-2-iodobenzamide (ACI)",909018-50-4,,44415826,"N-[2-Chloro-11-(4-methyl-1-piperazinyl)-5H-dibenzo[b,e][1,4]diazepin-5-yl]-2-iodobenzamide (ACI)",LSBNVDGHJXSXAB-UHFFFAOYSA-N,"N-[8-chloro-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzodiazepin-11-yl]-2-iodobenzamide",O=C(NN1C=2C=CC=CC2N=C(C=3C=C(Cl)C=CC31)N4CCN(C)CC4)C=5C=CC=CC5I,"InChI=1S/C25H23ClIN5O/c1-30-12-14-31(15-13-30)24-19-16-17(26)10-11-22(19)32(23-9-5-4-8-21(23)28-24)29-25(33)18-6-2-3-7-20(18)27/h2-11,16H,12-15H2,1H3,(H,29,33)",C25H23ClIN5O,571.064
3349,"Toluene-2,6-diisocyanate",91-08-7,DTXSID2026157,7040,"Toluene-2,6-diisocyanate",RUELTTOHQODFPA-UHFFFAOYSA-N,"1,3-Diisocyanato-2-methylbenzene",CC1=C(C=CC=C1N=C=O)N=C=O,"InChI=1S/C9H6N2O2/c1-7-8(10-5-12)3-2-4-9(7)11-6-13/h2-4H,1H3",C9H6N2O2,174.0429274
3350,Decalin,91-17-8,DTXSID1024912,7044,Decalin,NNBZCPXTIHJBJL-UHFFFAOYSA-N,Decahydronaphthalene,C1CCC2CCCCC2C1,"InChI=1S/C10H18/c1-2-6-10-8-4-3-7-9(10)5-1/h9-10H,1-8H2",C10H18,138.1408506
3351,Naphthalene,91-20-3,DTXSID8020913,931,Naphthalene,UFWIBTONFRDIAS-UHFFFAOYSA-N,Naphthalene,C1=CC2=CC=CC=C2C=C1,InChI=1S/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H,C10H8,128.0626003
3352,Quinoline,91-22-5,DTXSID1021798,7047,Quinoline,SMWDFEZZVXVKRB-UHFFFAOYSA-N,Quinoline,C1=CC2=C(C=C1)N=CC=C2,InChI=1S/C9H7N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-7H,C9H7N,129.0578492
3353,7-Diethylamino-4-methylcoumarin,91-44-1,DTXSID9025035,7050,7-Diethylamino-4-methylcoumarin,AFYCEAFSNDLKSX-UHFFFAOYSA-N,7-(Diethylamino)-4-methyl-2H-1-benzopyran-2-one,CCN(CC)C1=CC=C2C(C)=CC(=O)OC2=C1,"InChI=1S/C14H17NO2/c1-4-15(5-2)11-6-7-12-10(3)8-14(16)17-13(12)9-11/h6-9H,4-5H2,1-3H3",C14H17NO2,231.1259288
3354,2-Methylnaphthalene,91-57-6,DTXSID4020878,7055,2-Methylnaphthalene,QIMMUPPBPVKWKM-UHFFFAOYSA-N,2-Methylnaphthalene,CC1=CC2=CC=CC=C2C=C1,"InChI=1S/C11H10/c1-9-6-7-10-4-2-3-5-11(10)8-9/h2-8H,1H3",C11H10,142.0782503
3355,2-Naphthylamine,91-59-8,DTXSID2020921,7057,2-Naphthylamine,JBIJLHTVPXGSAM-UHFFFAOYSA-N,Naphthalen-2-amine,NC1=CC2=C(C=CC=C2)C=C1,"InChI=1S/C10H9N/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,11H2",C10H9N,143.0734993
3356,2-Methylquinoline,91-63-4,DTXSID3040271,7060,2-Methylquinoline,SMUQFGGVLNAIOZ-UHFFFAOYSA-N,2-Methylquinoline,CC1=NC2=C(C=CC=C2)C=C1,"InChI=1S/C10H9N/c1-8-6-7-9-4-2-3-5-10(9)11-8/h2-7H,1H3",C10H9N,143.0734993
3357,Coumarin,91-64-5,DTXSID7020348,323,Coumarin,ZYGHJZDHTFUPRJ-UHFFFAOYSA-N,2H-1-Benzopyran-2-one,O=C1OC2=C(C=CC=C2)C=C1,InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,C9H6O2,146.0367794
3358,"N,N-Diethyl-m-toluidine",91-67-8,DTXSID1052610,66679,"N,N-Diethyl-m-toluidine",CIPVVROJHKLHJI-UHFFFAOYSA-N,"N,N-Diethyl-3-methylaniline",CCN(CC)C1=CC=CC(C)=C1,"InChI=1S/C11H17N/c1-4-12(5-2)11-8-6-7-10(3)9-11/h6-9H,4-5H2,1-3H3",C11H17N,163.1360996
3359,"6-Phenyl-1,3,5-triazine-2,4-diamine",91-76-9,DTXSID1020142,7064,"6-Phenyl-1,3,5-triazine-2,4-diamine",GZVHEAJQGPRDLQ-UHFFFAOYSA-N,"6-Phenyl-1,3,5-triazine-2,4-diamine",NC1=NC(=NC(N)=N1)C1=CC=CC=C1,"InChI=1S/C9H9N5/c10-8-12-7(13-9(11)14-8)6-4-2-1-3-5-6/h1-5H,(H4,10,11,12,13,14)",C9H9N5,187.0857953
3360,"4,4-Dimethyltricyclo[3.3.1.13,7]decan-2-ol (ACI)",910560-90-6,,590284,"4,4-Dimethyltricyclo[3.3.1.13,7]decan-2-ol (ACI)",YXZBIMVVDGZENJ-UHFFFAOYSA-N,"4,4-dimethyladamantan-2-ol",OC1C2CC3CC(C2)C(C)(C)C1C3,"InChI=1S/C12H20O/c1-12(2)9-4-7-3-8(6-9)11(13)10(12)5-7/h7-11,13H,3-6H2,1-2H3",C12H20O,180.151
3361,"L-Alanine, N-(hydroxyphenoxyphosphinyl)-, phenylmethyl ester, 5?-ester with methanesulfonic acid 2-[2-amino-9-(2-C-methyl-?-D-ribofuranosyl)-9H-purin-6-yl]-2-methylhydrazide (9CI, ACI)",914911-08-3,,,"L-Alanine, N-(hydroxyphenoxyphosphinyl)-, phenylmethyl ester, 5?-ester with methanesulfonic acid 2-[2-amino-9-(2-C-methyl-?-D-ribofuranosyl)-9H-purin-6-yl]-2-methylhydrazide (9CI, ACI)",YPDUKNHIPPOPTA-QCXOSHBESA-N,,O=C(OCC=1C=CC=CC1)C(NP(=O)(OC=2C=CC=CC2)OCC3OC(N4C=NC=5C4=NC(=NC5N(NS(=O)(=O)C)C)N)C(O)(C)C3O)C,"InChI=1S/C29H37N8O10PS/c1-18(26(39)44-15-19-11-7-5-8-12-19)34-48(41,47-20-13-9-6-10-14-20)45-16-21-23(38)29(2,40)27(46-21)37-17-31-22-24(32-28(30)33-25(22)37)36(3)35-49(4,42)43/h5-14,17-18,21,23,27,35,38,40H,15-16H2,1-4H3,(H,34,41)(H2,30,32,33)",,
3362,"cyclopropa[1,2:1,3]dicyclopenten-3(3ah)-one, 1,2,3b,6-tetrahydro-3a,6,6-trimethyl-",91531-53-2,DTXSID30880913,577161,"cyclopropa[1,2:1,3]dicyclopenten-3(3ah)-one, 1,2,3b,6-tetrahydro-3a,6,6-trimethyl-",OVJCTRIYNKNFPK-UHFFFAOYSA-N,"3a,6,6-Trimethyl-1,2,3b,6-tetrahydrocyclopropa[1,2-a:1,3-a']dicyclopenten-3(3aH)-one",CC12C3C=CC(C)(C)C13CCC2=O,"InChI=1S/C12H16O/c1-10(2)6-4-8-11(3)9(13)5-7-12(8,10)11/h4,6,8H,5,7H2,1-3H3",C12H16O,176.1201151
3363,"1,1,3a-trimethyl-1a,3a,5,6-tetrahydro-1h-cyclopropa[c]pentalen-4-one",91531-54-3,DTXSID50880798,577061,"1,1,3a-trimethyl-1a,3a,5,6-tetrahydro-1h-cyclopropa[c]pentalen-4-one",KWFCZMCFCFEYOP-UHFFFAOYSA-N,"1,1,3a-Trimethyl-1a,3a,5,6-tetrahydrocyclopropa[c]pentalen-4(1H)-one",CC1(C)C2C=CC3(C)C(=O)CCC123,"InChI=1S/C12H16O/c1-10(2)8-4-6-11(3)9(13)5-7-12(8,10)11/h4,6,8H,5,7H2,1-3H3",C12H16O,176.1201151
3364,Aminobacteriohopanetriol,91683-32-8,,11813582,Aminobacteriohopanetriol,DYJIJIUSBPCLMI-ZQPPIKFSSA-N,"(2S,3R,4R,7R)-7-[(3R,3aS,5aR,5bR,7aS,11aS,11bR,13aR,13bS)-5a,5b,8,8,11a,13b-hexamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysen-3-yl]-1-aminooctane-2,3,4-triol",OC(CN)C(O)C(O)CCC(C)C1CCC2(C)C1CCC3(C)C2CCC4C5(C)CCCC(C)(C)C5CCC43C,"InChI=1S/C35H63NO3/c1-22(9-10-25(37)30(39)26(38)21-36)23-13-18-32(4)24(23)14-19-34(6)28(32)11-12-29-33(5)17-8-16-31(2,3)27(33)15-20-35(29,34)7/h22-30,37-39H,8-21,36H2,1-7H3",C35H63NO3,545.481
3365,3-(Triethoxysilyl)propionitrile,919-31-3,DTXSID7027334,13522,3-(Triethoxysilyl)propionitrile,GBQYMXVQHATSCC-UHFFFAOYSA-N,3-(Triethoxysilyl)propanenitrile,CCO[Si](CCC#N)(OCC)OCC,"InChI=1S/C9H19NO3Si/c1-4-11-14(12-5-2,13-6-3)9-7-8-10/h4-7,9H2,1-3H3",C9H19NO3Si,217.11342
3366,"1-[2-[3-(2-Benzofuranyl)-5-(2-furanyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl]-3-piperidinecarboxamide (ACI)",919885-57-7,,16315125,"1-[2-[3-(2-Benzofuranyl)-5-(2-furanyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl]-3-piperidinecarboxamide (ACI)",GIAUZXRYCJMIFS-UHFFFAOYSA-N,"1-[2-[5-(1-benzofuran-2-yl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]piperidine-3-carboxamide",O=C(N)C1CN(CC(=O)N2N=C(C=3OC=4C=CC=CC4C3)CC2C=5OC=CC5)CCC1,"InChI=1S/C23H24N4O4/c24-23(29)16-6-3-9-26(13-16)14-22(28)27-18(20-8-4-10-30-20)12-17(25-27)21-11-15-5-1-2-7-19(15)31-21/h1-2,4-5,7-8,10-11,16,18H,3,6,9,12-14H2,(H2,24,29)",C23H24N4O4,420.18
3367,"1,1'-Bicyclohexyl",92-51-3,DTXSID8021802,7094,"1,1'-Bicyclohexyl",WVIIMZNLDWSIRH-UHFFFAOYSA-N,"1,1'-Bi(cyclohexane)",C1CCC(CC1)C1CCCCC1,"InChI=1S/C12H22/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h11-12H,1-10H2",C12H22,166.1721507
3368,Biphenyl,92-52-4,DTXSID4020161,7095,Biphenyl,ZUOUZKKEUPVFJK-UHFFFAOYSA-N,"1,1'-Biphenyl",C1=CC=C(C=C1)C1=CC=CC=C1,InChI=1S/C12H10/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-10H,C12H10,154.0782503
3369,4-Biphenylamine,92-67-1,DTXSID5020071,7102,4-Biphenylamine,DMVOXQPQNTYEKQ-UHFFFAOYSA-N,"[1,1'-Biphenyl]-4-amine",NC1=CC=C(C=C1)C1=CC=CC=C1,"InChI=1S/C12H11N/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H,13H2",C12H11N,169.0891494
3370,"4,4'-dibromo-1,1'-Biphenyl",92-86-4,DTXSID1059072,7110,"4,4'-dibromo-1,1'-Biphenyl",HQJQYILBCQPYBI-UHFFFAOYSA-N,"4,4'-Dibromo-1,1'-biphenyl",BrC1=CC=C(C=C1)C1=CC=C(Br)C=C1,InChI=1S/C12H8Br2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8H,C12H8Br2,309.899276
3371,"1,1':4',1''-Terphenyl",92-94-4,DTXSID6029121,7115,"1,1':4',1''-Terphenyl",XJKSTNDFUHDPQJ-UHFFFAOYSA-N,"1~1~,2~1~:2~4~,3~1~-Terphenyl",C1=CC=C(C=C1)C1=CC=C(C=C1)C1=CC=CC=C1,InChI=1S/C18H14/c1-3-7-15(8-4-1)17-11-13-18(14-12-17)16-9-5-2-6-10-16/h1-14H,C18H14,230.1095505
3372,"hexane, 2,3,4-trimethyl-",921-47-1,DTXSID50870795,13533,"2,3,4-Trimethylhexane",RUTNOQHQISEBGT-UHFFFAOYSA-N,"2,3,4-Trimethylhexane",CCC(C)C(C)C(C)C,"InChI=1S/C9H20/c1-6-8(4)9(5)7(2)3/h7-9H,6H2,1-5H3",C9H20,128.1565006
3373,"3-(1,1-Dimethylethyl)-6,7,8,9-tetrahydro-9-methyl-6,8-dioxo-7-propyl[1,2,4]triazino[3,4-f]purine-1(4H)-acetamide (ACI)",922452-76-4,,42930695,"3-(1,1-Dimethylethyl)-6,7,8,9-tetrahydro-9-methyl-6,8-dioxo-7-propyl[1,2,4]triazino[3,4-f]purine-1(4H)-acetamide (ACI)",WYRVBIQMRRBNEY-UHFFFAOYSA-N,"2-(3-tert-butyl-9-methyl-6,8-dioxo-7-propyl-4H-purino[8,7-c][1,2,4]triazin-1-yl)acetamide",O=C1C2=C(N=C3N(N=C(CN23)C(C)(C)C)CC(=O)N)N(C(=O)N1CCC)C,"InChI=1S/C17H25N7O3/c1-6-7-22-14(26)12-13(21(5)16(22)27)19-15-23(12)8-10(17(2,3)4)20-24(15)9-11(18)25/h6-9H2,1-5H3,(H2,18,25)",C17H25N7O3,375.202
3374,"acetic acid, 1,7,7-trimethyl-bicyclo[2.2.1]hept-2-yl ester",92618-89-8,DTXSID80859098,6448,"acetic acid, 1,7,7-trimethyl-bicyclo[2.2.1]hept-2-yl ester",KGEKLUUHTZCSIP-UHFFFAOYSA-N,"1,7,7-Trimethylbicyclo[2.2.1]heptan-2-yl acetate",[H]C12CCC(C)(C(C1)OC(C)=O)C2(C)C,"InChI=1S/C12H20O2/c1-8(13)14-10-7-9-5-6-12(10,4)11(9,2)3/h9-10H,5-7H2,1-4H3",C12H20O2,196.1463299
3375,"3,6,9,12-Tetraoxatricosan-1-ol",92669-04-0,DTXSID70758107,71329263,"3,6,9,12-Tetraoxatricosan-1-ol",MGAAPFMMNKLGSQ-UHFFFAOYSA-N,"3,6,9,12-Tetraoxatricosan-1-ol",CCCCCCCCCCCOCCOCCOCCOCCO,"InChI=1S/C19H40O5/c1-2-3-4-5-6-7-8-9-10-12-21-14-16-23-18-19-24-17-15-22-13-11-20/h20H,2-19H2,1H3",C19H40O5,348.2875744
3376,N-[[4-[[(1R)-3-(Dimethylamino)-1-[(phenylthio)methyl]propyl]amino]-3-nitrophenyl]sulfonyl]-4-[4-(phenylmethyl)-1-piperazinyl]benzamide (ACI),926933-41-7,,16109089,N-[[4-[[(1R)-3-(Dimethylamino)-1-[(phenylthio)methyl]propyl]amino]-3-nitrophenyl]sulfonyl]-4-[4-(phenylmethyl)-1-piperazinyl]benzamide (ACI),GVUHBRBKGLCYFC-SSEXGKCCSA-N,4-(4-benzylpiperazin-1-yl)-N-[4-[[(2R)-4-(dimethylamino)-1-phenylsulfanylbutan-2-yl]amino]-3-nitrophenyl]sulfonylbenzamide,O=C(NS(=O)(=O)C1=CC=C(NC(CSC=2C=CC=CC2)CCN(C)C)C(=C1)N(=O)=O)C3=CC=C(C=C3)N4CCN(CC=5C=CC=CC5)CC4,"InChI=1S/C36H42N6O5S2/c1-39(2)20-19-30(27-48-32-11-7-4-8-12-32)37-34-18-17-33(25-35(34)42(44)45)49(46,47)38-36(43)29-13-15-31(16-14-29)41-23-21-40(22-24-41)26-28-9-5-3-6-10-28/h3-18,25,30,37H,19-24,26-27H2,1-2H3,(H,38,43)",C36H42N6O5S2,702.266
3377,"3,3-Diiodopropanoic acid (ACI)",927867-71-8,,18005887,"3,3-Diiodopropanoic acid (ACI)",ZLYHVJXDFGITSK-UHFFFAOYSA-N,"3,3-diiodopropanoic acid",O=C(O)CC(I)I,"InChI=1S/C3H4I2O2/c4-2(5)1-3(6)7/h2H,1H2,(H,6,7)",C3H4I2O2,325.83
3378,3-Decanone,928-80-3,DTXSID2061303,13576,3-Decanone,XJLDYKIEURAVBW-UHFFFAOYSA-N,Decan-3-one,CCCCCCCC(=O)CC,"InChI=1S/C10H20O/c1-3-5-6-7-8-9-10(11)4-2/h3-9H2,1-2H3",C10H20O,156.1514153
3379,"12H-Benzo[a]phenothiazin-5-ol, 9-chloro-6-[(2-methoxy-5-methylphenyl)amino]-12-(2,3,5-tri-O-benzoyl-?-D-ribofuranosyl)-, 5-acetate (ACI)",929622-90-2,,11643674,"12H-Benzo[a]phenothiazin-5-ol, 9-chloro-6-[(2-methoxy-5-methylphenyl)amino]-12-(2,3,5-tri-O-benzoyl-?-D-ribofuranosyl)-, 5-acetate (ACI)",IFUFODVPHXFMCC-MZNIRTSLSA-N,"[(2R,3R,4R,5R)-5-[5-acetyloxy-9-chloro-6-(2-methoxy-5-methylanilino)benzo[a]phenothiazin-12-yl]-3,4-dibenzoyloxyoxolan-2-yl]methyl benzoate",O=C(OCC1OC(N2C3=CC=C(Cl)C=C3SC=4C(NC5=CC(=CC=C5OC)C)=C(OC(=O)C)C=6C=CC=CC6C42)C(OC(=O)C=7C=CC=CC7)C1OC(=O)C=8C=CC=CC8)C=9C=CC=CC9,"InChI=1S/C52H41ClN2O10S/c1-30-23-26-40(60-3)38(27-30)54-43-45(62-31(2)56)37-22-14-13-21-36(37)44-48(43)66-42-28-35(53)24-25-39(42)55(44)49-47(65-52(59)34-19-11-6-12-20-34)46(64-51(58)33-17-9-5-10-18-33)41(63-49)29-61-50(57)32-15-7-4-8-16-32/h4-28,41,46-47,49,54H,29H2,1-3H3",C52H41ClN2O10S,920.217
3380,"(5R,6S)-5-(Methoxymethoxy)-1-[(tetrahydro-2H-pyran-2-yl)oxy]-6-hexadecanol (ACI)",929626-50-6,,16006998,"(5R,6S)-5-(Methoxymethoxy)-1-[(tetrahydro-2H-pyran-2-yl)oxy]-6-hexadecanol (ACI)",GOIQAIFPAJLHJI-ZVTBYLAHSA-N,"(5R,6S)-5-(methoxymethoxy)-1-(oxan-2-yloxy)hexadecan-6-ol",OC(CCCCCCCCCC)C(OCOC)CCCCOC1OCCCC1,"InChI=1S/C23H46O5/c1-3-4-5-6-7-8-9-10-15-21(24)22(28-20-25-2)16-11-13-18-26-23-17-12-14-19-27-23/h21-24H,3-20H2,1-2H3",C23H46O5,402.335
3381,"Benzenemethanol, 3,4-dimethoxy-",93-03-8,DTXSID1059076,7118,"Benzenemethanol, 3,4-dimethoxy-",OEGPRYNGFWGMMV-UHFFFAOYSA-N,"(3,4-Dimethoxyphenyl)methanol",COC1=C(OC)C=C(CO)C=C1,"InChI=1S/C9H12O3/c1-11-8-4-3-7(6-10)5-9(8)12-2/h3-5,10H,6H2,1-2H3",C9H12O3,168.0786442
3382,2-Methoxynaphthalene,93-04-9,DTXSID7044392,7119,2-Methoxynaphthalene,LUZDYPLAQQGJEA-UHFFFAOYSA-N,2-Methoxynaphthalene,COC1=CC2=C(C=CC=C2)C=C1,"InChI=1S/C11H10O/c1-12-11-7-6-9-4-2-3-5-10(9)8-11/h2-8H,1H3",C11H10O,158.0731649
3383,Methyleugenol,93-15-2,DTXSID5025607,7127,"1,2-Dimethoxy-4-(2-propen-1-yl)benzene",ZYEMGPIYFIJGTP-UHFFFAOYSA-N,"1,2-Dimethoxy-4-(prop-2-en-1-yl)benzene",COC1=CC=C(CC=C)C=C1OC,"InChI=1S/C11H14O2/c1-4-5-9-6-7-10(12-2)11(8-9)13-3/h4,6-8H,1,5H2,2-3H3",C11H14O2,178.0993797
3384,2-Ethoxynaphthalene,93-18-5,DTXSID2049684,7129,2-Ethoxynaphthalene,GUMOJENFFHZAFP-UHFFFAOYSA-N,2-Ethoxynaphthalene,CCOC1=CC2=C(C=CC=C2)C=C1,"InChI=1S/C12H12O/c1-2-13-12-8-7-10-5-3-4-6-11(10)9-12/h3-9H,2H2,1H3",C12H12O,172.088815
3385,N-(2-Methoxyphenyl)acetamide,93-26-5,DTXSID0052623,7135,N-(2-Methoxyphenyl)acetamide,FGOFNVXHDGQVBG-UHFFFAOYSA-N,N-(2-Methoxyphenyl)acetamide,COC1=CC=CC=C1NC(C)=O,"InChI=1S/C9H11NO2/c1-7(11)10-8-5-3-4-6-9(8)12-2/h3-6H,1-2H3,(H,10,11)",C9H11NO2,165.0789786
3386,"Quinoline, 2,7-dimethyl-",93-37-8,DTXSID0059085,7138,"Quinoline, 2,7-dimethyl-",QXKPLNCZSFACPU-UHFFFAOYSA-N,"2,7-Dimethylquinoline",CC1=CC=C2C=CC(C)=NC2=C1,"InChI=1S/C11H11N/c1-8-3-5-10-6-4-9(2)12-11(10)7-8/h3-7H,1-2H3",C11H11N,157.0891494
3387,1-Phenylpropan-1-one,93-55-0,DTXSID2044470,7148,1-Phenylpropan-1-one,KRIOVPPHQSLHCZ-UHFFFAOYSA-N,1-Phenylpropan-1-one,CCC(=O)C1=CC=CC=C1,"InChI=1S/C9H10O/c1-2-9(10)8-6-4-3-5-7-8/h3-7H,2H2,1H3",C9H10O,134.0731649
3388,Methyl benzoate,93-58-3,DTXSID5025572,7150,Methyl benzoate,QPJVMBTYPHYUOC-UHFFFAOYSA-N,Methyl benzoate,COC(=O)C1=CC=CC=C1,"InChI=1S/C8H8O2/c1-10-8(9)7-5-3-2-4-6-7/h2-6H,1H3",C8H8O2,136.0524295
3389,Ethyl benzoate,93-89-0,DTXSID3038696,7165,Ethyl benzoate,MTZQAGJQAFMTAQ-UHFFFAOYSA-N,Ethyl benzoate,CCOC(=O)C1=CC=CC=C1,"InChI=1S/C9H10O2/c1-2-11-9(10)8-6-4-3-5-7-8/h3-7H,2H2,1H3",C9H10O2,150.0680796
3390,(+/-)-alpha-Methylbenzyl acetate,93-92-5,DTXSID6041636,62341,(+/-)-alpha-Methylbenzyl acetate,QUMXDOLUJCHOAY-UHFFFAOYSA-N,1-Phenylethyl acetate,CC(OC(C)=O)C1=CC=CC=C1,"InChI=1S/C10H12O2/c1-8(12-9(2)11)10-6-4-3-5-7-10/h3-8H,1-2H3",C10H12O2,164.0837296
3391,Phenyl benzoate,93-99-2,DTXSID0048210,7169,Phenyl benzoate,FCJSHPDYVMKCHI-UHFFFAOYSA-N,Phenyl benzoate,O=C(OC1=CC=CC=C1)C1=CC=CC=C1,InChI=1S/C13H10O2/c14-13(11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1-10H,C13H10O2,198.0680796
3392,2-Cyclohexen-1-one,930-68-7,DTXSID1024881,13594,2-Cyclohexen-1-one,FWFSEYBSWVRWGL-UHFFFAOYSA-N,Cyclohex-2-en-1-one,O=C1CCCC=C1,"InChI=1S/C6H8O/c7-6-4-2-1-3-5-6/h2,4H,1,3,5H2",C6H8O,96.05751488
3393,(Z)-1-Ethyl-2-methylcyclopentane,930-89-2,DTXSID90873265,,(Z)-1-Ethyl-2-methylcyclopentane,BSKOLJVTLRLTHE-WWXSATIUNA-N,"(1R,2S)-1-Ethyl-2-methylcyclopentane",CC[C@@H]1CCC[C@@H]1C,"InChI=1S/C8H16/c1-3-8-6-4-5-7(8)2/h7-8H,3-6H2,1-2H3/t7-,8+/m0/s1",C8H16,112.1252005
3394,3-Cyclohexene-1-carbonyl chloride,932-67-2,DTXSID40883617,523058,3-Cyclohexene-1-carbonyl chloride,CXWMHIRIXVNVQN-UHFFFAOYSA-N,Cyclohex-3-ene-1-carbonyl chloride,ClC(=O)C1CCC=CC1,"InChI=1S/C7H9ClO/c8-7(9)6-4-2-1-3-5-6/h1-2,6H,3-5H2",C7H9ClO,144.0341926
3395,"Cyclohexane, 1,1-dimethoxy-",933-40-4,DTXSID00239373,13616,"Cyclohexane, 1,1-dimethoxy-",XPIJMQVLTXAGME-UHFFFAOYSA-N,"1,1-Dimethoxycyclohexane",COC1(CCCCC1)OC,"InChI=1S/C8H16O2/c1-9-8(10-2)6-4-3-5-7-8/h3-7H2,1-2H3",C8H16O2,144.1150298
3396,(But-3-en-2-yl)benzene,934-10-1,DTXSID80298327,275617,(But-3-en-2-yl)benzene,CHPXLAPHLQIKCA-UHFFFAOYSA-N,(But-3-en-2-yl)benzene,CC(C=C)C1=CC=CC=C1,"InChI=1S/C10H12/c1-3-9(2)10-7-5-4-6-8-10/h3-9H,1H2,2H3",C10H12,132.0939004
3397,Benzothiazolone,934-34-9,DTXSID6061315,13625,Benzothiazolone,YEDUAINPPJYDJZ-UHFFFAOYSA-N,"1,3-Benzothiazol-2-ol",OC1=NC2=CC=CC=C2S1,"InChI=1S/C7H5NOS/c9-7-8-5-3-1-2-4-6(5)10-7/h1-4H,(H,8,9)",C7H5NOS,151.009185
3398,"Cyclopentanone, 2-butyl-",934-42-9,DTXSID60883619,102524,"Cyclopentanone, 2-butyl-",ZAQYRXDJFINJJE-UHFFFAOYSA-N,2-Butylcyclopentan-1-one,CCCCC1CCCC1=O,"InChI=1S/C9H16O/c1-2-3-5-8-6-4-7-9(8)10/h8H,2-7H2,1H3",C9H16O,140.1201151
3399,5-Ethyl-m-xylene,934-74-7,DTXSID1061316,13627,5-Ethyl-m-xylene,LMAUULKNZLEMGN-UHFFFAOYSA-N,"1-Ethyl-3,5-dimethylbenzene",CCC1=CC(C)=CC(C)=C1,"InChI=1S/C10H14/c1-4-10-6-8(2)5-9(3)7-10/h5-7H,4H2,1-3H3",C10H14,134.1095505
3400,Ethyl Cyclodocosane,934589-42-1,DTXSID701015930,545756,Ethyl Cyclodocosane,KWQCJDUIPGVKAU-UHFFFAOYSA-N,Ethylcyclodocosane,CCC1CCCCCCCCCCCCCCCCCCCCC1,"InChI=1S/C24H48/c1-2-24-22-20-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-21-23-24/h24H,2-23H2,1H3",C24H48,336.3756015
3401,Methyl cumyl ether,935-67-1,DTXSID6061319,70289,Methyl cumyl ether,MRFQFQYRTNGOCZ-UHFFFAOYSA-N,(2-Methoxypropan-2-yl)benzene,COC(C)(C)C1=CC=CC=C1,"InChI=1S/C10H14O/c1-10(2,11-3)9-7-5-4-6-8-9/h4-8H,1-3H3",C10H14O,150.1044651
3402,p-Ethylacetophenone,937-30-4,DTXSID5061326,13642,p-Ethylacetophenone,NODGRWCMFMEGJH-UHFFFAOYSA-N,1-(4-Ethylphenyl)ethan-1-one,CCC1=CC=C(C=C1)C(C)=O,"InChI=1S/C10H12O/c1-3-9-4-6-10(7-5-9)8(2)11/h4-7H,3H2,1-2H3",C10H12O,148.088815
3403,BDE-77,93703-48-1,DTXSID80877030,13283771,BDE-77,RYGLOWMCGZHYRQ-UHFFFAOYSA-N,"1,1'-Oxybis(3,4-dibromobenzene)",BrC1=C(Br)C=C(OC2=CC(Br)=C(Br)C=C2)C=C1,InChI=1S/C12H6Br4O/c13-9-3-1-7(5-11(9)15)17-8-2-4-10(14)12(16)6-8/h1-6H,C12H6Br4O,481.715217
3404,"2,3,4,6-Tetrachloroanisole",938-22-7,DTXSID80239654,13647,"2,3,4,6-Tetrachloroanisole",ITXDBGLYYSJNPK-UHFFFAOYSA-N,"1,2,3,5-Tetrachloro-4-methoxybenzene",COC1=C(Cl)C(Cl)=C(Cl)C=C1Cl,"InChI=1S/C7H4Cl4O/c1-12-7-4(9)2-3(8)5(10)6(7)11/h2H,1H3",C7H4Cl4O,243.9016255
3405,"N1,N3,N5-Tris[(1S)-2-[[2-[(aminoiminomethyl)amino]ethyl]amino]-1-(1H-indol-3-ylmethyl)-2-oxoethyl]-1,3,5-benzenetricarboxamide (ACI)",938053-44-2,,44439605,"N1,N3,N5-Tris[(1S)-2-[[2-[(aminoiminomethyl)amino]ethyl]amino]-1-(1H-indol-3-ylmethyl)-2-oxoethyl]-1,3,5-benzenetricarboxamide (ACI)",SXOQYZIUZGJSMI-BJKOEGOMSA-N,"1-N,3-N,5-N-tris[(2S)-1-[2-(diaminomethylideneamino)ethylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]benzene-1,3,5-tricarboxamide",O=C(NC(C(=O)NCCNC(=N)N)CC1=CNC=2C=CC=CC21)C=3C=C(C=C(C3)C(=O)NC(C(=O)NCCNC(=N)N)CC4=CNC=5C=CC=CC54)C(=O)NC(C(=O)NCCNC(=N)N)CC6=CNC=7C=CC=CC76,"InChI=1S/C51H60N18O6/c52-49(53)61-16-13-58-46(73)40(22-31-25-64-37-10-4-1-7-34(31)37)67-43(70)28-19-29(44(71)68-41(47(74)59-14-17-62-50(54)55)23-32-26-65-38-11-5-2-8-35(32)38)21-30(20-28)45(72)69-42(48(75)60-15-18-63-51(56)57)24-33-27-66-39-12-6-3-9-36(33)39/h1-12,19-21,25-27,40-42,64-66H,13-18,22-24H2,(H,58,73)(H,59,74)(H,60,75)(H,67,70)(H,68,71)(H,69,72)(H4,52,53,61)(H4,54,55,62)(H4,56,57,63)",C51H60N18O6,1020.49
3406,13-Tetradecen-11-yn-1-ol (ACI),938076-57-4,,543337,13-Tetradecen-11-yn-1-ol (ACI),YTPVQABXWSESFQ-UHFFFAOYSA-N,tetradec-13-en-11-yn-1-ol,OCCCCCCCCCCC#CC=C,"InChI=1S/C14H24O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h2,15H,1,5-14H2",C14H24O,208.183
3407,"3-Cyclohexyl-N-methyl-L-alanyl-O-[[[1-(2-deoxy-2-methylene-?-D-erythro-pentofuranosyl)-1,2-dihydro-2-oxo-4-pyrimidinyl]amino]carbonyl]-D-threonine (ACI)",938435-51-9,,44431339,"3-Cyclohexyl-N-methyl-L-alanyl-O-[[[1-(2-deoxy-2-methylene-?-D-erythro-pentofuranosyl)-1,2-dihydro-2-oxo-4-pyrimidinyl]amino]carbonyl]-D-threonine (ACI)",WCBQQXZMMKUQHH-IJJPRPOHSA-N,"(2R,3S)-2-[[(2S)-3-cyclohexyl-2-(methylamino)propanoyl]amino]-3-[[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methylideneoxolan-2-yl]-2-oxopyrimidin-4-yl]carbamoyloxy]butanoic acid",O=C(OC(C)C(NC(=O)C(NC)CC1CCCCC1)C(=O)O)NC2=NC(=O)N(C=C2)C3OC(CO)C(O)C3=C,"InChI=1S/C25H37N5O9/c1-13-20(32)17(12-31)39-22(13)30-10-9-18(27-24(30)36)28-25(37)38-14(2)19(23(34)35)29-21(33)16(26-3)11-15-7-5-4-6-8-15/h9-10,14-17,19-20,22,26,31-32H,1,4-8,11-12H2,2-3H3,(H,29,33)(H,34,35)(H,27,28,36,37)",C25H37N5O9,551.259
3408,4-Phenylpyridine,939-23-1,DTXSID5022140,13651,4-Phenylpyridine,JVZRCNQLWOELDU-UHFFFAOYSA-N,4-Phenylpyridine,C1=CC=C(C=C1)C1=CC=NC=C1,InChI=1S/C11H9N/c1-2-4-10(5-3-1)11-6-8-12-9-7-11/h1-9H,C11H9N,155.0734993
3409,4-tert-Butylbenzaldehyde,939-97-9,DTXSID6027343,70324,4-tert-Butylbenzaldehyde,OTXINXDGSUFPNU-UHFFFAOYSA-N,4-tert-Butylbenzaldehyde,CC(C)(C)C1=CC=C(C=O)C=C1,"InChI=1S/C11H14O/c1-11(2,3)10-6-4-9(8-12)5-7-10/h4-8H,1-3H3",C11H14O,162.1044651
3410,"Sorbitan, tetradodecanoate",93963-93-0,DTXSID40239978,44147512,"Sorbitan, tetradodecanoate",YWSDIOKOZYVZFR-OHTOXZDKSA-N,"1,4-Anhydro-2,3,5,6-tetra-O-dodecanoyl-D-xylo-hexitol",CCCCCCCCCCCC(=O)OC[C@@H](OC(=O)CCCCCCCCCCC)[C@H]1OC[C@H](OC(=O)CCCCCCCCCCC)[C@H]1OC(=O)CCCCCCCCCCC,"InChI=1S/C54H100O9/c1-5-9-13-17-21-25-29-33-37-41-49(55)59-45-47(61-50(56)42-38-34-30-26-22-18-14-10-6-2)53-54(63-52(58)44-40-36-32-28-24-20-16-12-8-4)48(46-60-53)62-51(57)43-39-35-31-27-23-19-15-11-7-3/h47-48,53-54H,5-46H2,1-4H3/t47-,48+,53-,54-/m1/s1",C54H100O9,892.7367348
3411,Propylparaben,94-13-3,DTXSID4022527,7175,Propylparaben,QELSKZZBTMNZEB-UHFFFAOYSA-N,Propyl 4-hydroxybenzoate,CCCOC(=O)C1=CC=C(O)C=C1,"InChI=1S/C10H12O3/c1-2-7-13-10(12)8-3-5-9(11)6-4-8/h3-6,11H,2,7H2,1H3",C10H12O3,180.0786442
3412,Benzyl 4-hydroxybenzoate,94-18-8,DTXSID9022526,7180,Benzyl 4-hydroxybenzoate,MOZDKDIOPSPTBH-UHFFFAOYSA-N,Benzyl 4-hydroxybenzoate,OC1=CC=C(C=C1)C(=O)OCC1=CC=CC=C1,"InChI=1S/C14H12O3/c15-13-8-6-12(7-9-13)14(16)17-10-11-4-2-1-3-5-11/h1-9,15H,10H2",C14H12O3,228.0786442
3413,Butylparaben,94-26-8,DTXSID3020209,7184,Butylparaben,QFOHBWFCKVYLES-UHFFFAOYSA-N,Butyl 4-hydroxybenzoate,CCCCOC(=O)C1=CC=C(O)C=C1,"InChI=1S/C11H14O3/c1-2-3-8-14-11(13)9-4-6-10(12)7-5-9/h4-7,12H,2-3,8H2,1H3",C11H14O3,194.0942943
3414,"1,2-ETHANEDIOL, MONOBENZOATE",94-33-7,DTXSID20879477,66747,"1,2-ETHANEDIOL, MONOBENZOATE",LSWRBVSEWBWTDR-UHFFFAOYSA-N,2-Hydroxyethyl benzoate,OCCOC(=O)C1=CC=CC=C1,"InChI=1S/C9H10O3/c10-6-7-12-9(11)8-4-2-1-3-5-8/h1-5,10H,6-7H2",C9H10O3,166.0629942
3415,Isopentyl benzoate,94-46-2,DTXSID8047185,7193,Isopentyl benzoate,MLLAPOCBLWUFAP-UHFFFAOYSA-N,3-Methylbutyl benzoate,CC(C)CCOC(=O)C1=CC=CC=C1,"InChI=1S/C12H16O2/c1-10(2)8-9-14-12(13)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3",C12H16O2,192.1150298
3416,"Benzoic acid, octyl ester",94-50-8,DTXSID1059103,66751,"Benzoic acid, octyl ester",VECVSKFWRQYTAL-UHFFFAOYSA-N,Octyl benzoate,CCCCCCCCOC(=O)C1=CC=CC=C1,"InChI=1S/C15H22O2/c1-2-3-4-5-6-10-13-17-15(16)14-11-8-7-9-12-14/h7-9,11-12H,2-6,10,13H2,1H3",C15H22O2,234.1619799
3417,Safrole,94-59-7,DTXSID0021254,5144,Safrole,ZMQAAUBTXCXRIC-UHFFFAOYSA-N,"5-(Prop-2-en-1-yl)-2H-1,3-benzodioxole",C=CCC1=CC=C2OCOC2=C1,"InChI=1S/C10H10O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h2,4-6H,1,3,7H2",C10H10O2,162.0680796
3418,"1,1'-(2-Methylpiperazine-1,4-diyl)di(propan-2-ol)",94-72-4,DTXSID20916715,97925,"1,1'-(2-Methylpiperazine-1,4-diyl)di(propan-2-ol)",GPXSTLAIBOEFST-UHFFFAOYSA-N,"1,1'-(2-Methylpiperazine-1,4-diyl)di(propan-2-ol)",CC(O)CN1CCN(CC(C)O)C(C)C1,"InChI=1S/C11H24N2O2/c1-9-6-12(7-10(2)14)4-5-13(9)8-11(3)15/h9-11,14-15H,4-8H2,1-3H3",C11H24N2O2,216.183778
3419,5-Chlorobenzotriazole,94-97-3,DTXSID0047450,66760,5-Chlorobenzotriazole,PZBQVZFITSVHAW-UHFFFAOYSA-N,5-Chloro-1H-benzotriazole,ClC1=CC2=C(NN=N2)C=C1,"InChI=1S/C6H4ClN3/c7-4-1-2-5-6(3-4)9-10-8-5/h1-3H,(H,8,9,10)",C6H4ClN3,153.0093748
3420,"1,1?-[3-[(Phenylsulfinyl)methyl]-1,2-cyclopropanediyl]bis[benzene] (ACI)",940308-92-9,,562543,"1,1?-[3-[(Phenylsulfinyl)methyl]-1,2-cyclopropanediyl]bis[benzene] (ACI)",MVULGCSHGFLUBH-UHFFFAOYSA-N,[2-(benzenesulfinylmethyl)-3-phenylcyclopropyl]benzene,O=S(C=1C=CC=CC1)CC2C(C=3C=CC=CC3)C2C=4C=CC=CC4,"InChI=1S/C22H20OS/c23-24(19-14-8-3-9-15-19)16-20-21(17-10-4-1-5-11-17)22(20)18-12-6-2-7-13-18/h1-15,20-22H,16H2",C22H20OS,332.123
3421,7-(Bromomethyl)pentadec-7-ene,941228-34-8,DTXSID40873093,534651,7-(Bromomethyl)pentadec-7-ene,LKEXDKKHKNXGSM-UHFFFAOYSA-N,7-(Bromomethyl)pentadec-7-ene,CCCCCCCC=C(CBr)CCCCCC,"InChI=1S/C16H31Br/c1-3-5-7-9-10-12-14-16(15-17)13-11-8-6-4-2/h14H,3-13,15H2,1-2H3",C16H31Br,302.160914
3422,"2,6-Dodecadien-1-ol, (E,Z)-",94133-54-7,DTXSID701310332,20836325,"2,6-Dodecadien-1-ol, (E,Z)-",UFPCISMLRCAWMQ-JFEAUALZSA-N,"(2E,6Z)-Dodeca-2,6-dien-1-ol",CCCCC\C=C/CC\C=C\CO,"InChI=1S/C12H22O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h6-7,10-11,13H,2-5,8-9,12H2,1H3/b7-6-,11-10+",C12H22O,182.1670653
3423,"1,7-Diisopropylnaphthalene",94133-80-9,DTXSID20240683,3023652,"1,7-Diisopropylnaphthalene",XNSUVOOWWSAQMZ-UHFFFAOYSA-N,"1,7-Di(propan-2-yl)naphthalene",CC(C)C1=CC2=C(C=CC=C2C(C)C)C=C1,"InChI=1S/C16H20/c1-11(2)14-9-8-13-6-5-7-15(12(3)4)16(13)10-14/h5-12H,1-4H3",C16H20,212.1565006
3424,Tris(m-hydroxyphenyl) phosphate,94135-13-4,DTXSID80240745,3023706,Tris(m-hydroxyphenyl) phosphate,GGYSSENSJNGXLU-UHFFFAOYSA-N,Tris(3-hydroxyphenyl) phosphate,OC1=CC(OP(=O)(OC2=CC=CC(O)=C2)OC2=CC=CC(O)=C2)=CC=C1,"InChI=1S/C18H15O7P/c19-13-4-1-7-16(10-13)23-26(22,24-17-8-2-5-14(20)11-17)25-18-9-3-6-15(21)12-18/h1-12,19-21H",C18H15O7P,374.0555398
3425,"Carbonic dichloride, polymer with 4,?4'-?(1-?methylethylidene)?bis[2,?6-?dibromophenol] and phenol",94334-64-2,DTXSID601015670,,"Carbonic dichloride, polymer with 4,​4'-​(1-​methylethylidene)​bis[2,​6-​dibromophenol] and phenol",,,,,,
3426,2-nonadecene (Z),94434-40-9,DTXSID20417737,5352532,2-nonadecene (Z),HANVOGLDKHFHBY-HYXAFXHYSA-N,(2Z)-Nonadec-2-ene,CCCCCCCCCCCCCCCC\C=C/C,"InChI=1S/C19H38/c1-3-5-7-9-11-13-15-17-19-18-16-14-12-10-8-6-4-2/h3,5H,4,6-19H2,1-2H3/b5-3-",C19H38,266.2973512
3427,"9,10-Dimethyl-1,2,3,4-tetrahydroanthracene",94573-50-9,DTXSID30346281,610936,"9,10-Dimethyl-1,2,3,4-tetrahydroanthracene",VOQZRIDDJFONSG-UHFFFAOYSA-N,"9,10-Dimethyl-1,2,3,4-tetrahydroanthracene",CC1=C2CCCCC2=C(C)C2=CC=CC=C12,"InChI=1S/C16H18/c1-11-13-7-3-5-9-15(13)12(2)16-10-6-4-8-14(11)16/h3,5,7,9H,4,6,8,10H2,1-2H3",C16H18,210.1408506
3428,Azacyclotridecan-2-one,947-04-6,DTXSID1027344,13690,Azacyclotridecan-2-one,JHWNWJKBPDFINM-UHFFFAOYSA-N,1-Azacyclotridecan-2-one,O=C1CCCCCCCCCCCN1,"InChI=1S/C12H23NO/c14-12-10-8-6-4-2-1-3-5-7-9-11-13-12/h1-11H2,(H,13,14)",C12H23NO,197.1779644
3429,Oxacyclotridecan-2-one,947-05-7,DTXSID70241569,70354,Oxacyclotridecan-2-one,DQGSJTVMODPFBK-UHFFFAOYSA-N,1-Oxacyclotridecan-2-one,O=C1CCCCCCCCCCCO1,InChI=1S/C12H22O2/c13-12-10-8-6-4-2-1-3-5-7-9-11-14-12/h1-11H2,C12H22O2,198.1619799
3430,(1-Hydroxycyclohexyl)(phenyl)methanone,947-19-3,DTXSID9044748,70355,(1-Hydroxycyclohexyl)(phenyl)methanone,QNODIIQQMGDSEF-UHFFFAOYSA-N,(1-Hydroxycyclohexyl)(phenyl)methanone,OC1(CCCCC1)C(=O)C1=CC=CC=C1,"InChI=1S/C13H16O2/c14-12(11-7-3-1-4-8-11)13(15)9-5-2-6-10-13/h1,3-4,7-8,15H,2,5-6,9-10H2",C13H16O2,204.1150298
3431,"anthracene, 9,10-dihydro-2-methyl-",948-67-4,DTXSID90880792,601716,"anthracene, 9,10-dihydro-2-methyl-",RKTIJKNZNPTOTQ-UHFFFAOYSA-N,"2-Methyl-9,10-dihydroanthracene",CC1=CC=C2CC3=CC=CC=C3CC2=C1,"InChI=1S/C15H14/c1-11-6-7-14-9-12-4-2-3-5-13(12)10-15(14)8-11/h2-8H,9-10H2,1H3",C15H14,194.1095505
3432,"1a,9b-Dihydro-1H-cyclopropa[l]phenanthrene",949-41-7,DTXSID10873262,136767,"1a,9b-Dihydro-1H-cyclopropa[l]phenanthrene",HJUMUYNFEXGVRH-UHFFFAOYSA-N,"1a,9b-Dihydro-1H-cyclopropa[l]phenanthrene",C1C2C1C1=C(C=CC=C1)C1=CC=CC=C21,"InChI=1S/C15H12/c1-3-7-12-10(5-1)11-6-2-4-8-13(11)15-9-14(12)15/h1-8,14-15H,9H2",C15H12,192.0939004
3433,1H-Indene,95-13-6,DTXSID8042052,7219,1H-Indene,YBYIRNPNPLQARY-UHFFFAOYSA-N,1H-Indene,C1C=CC2=CC=CC=C12,"InChI=1S/C9H8/c1-2-5-9-7-3-6-8(9)4-1/h1-6H,7H2",C9H8,116.0626003
3434,"1,2,3-Benzotriazole",95-14-7,DTXSID6020147,7220,"1,2,3-Benzotriazole",QRUDEWIWKLJBPS-UHFFFAOYSA-N,1H-Benzotriazole,N1N=NC2=C1C=CC=C2,"InChI=1S/C6H5N3/c1-2-4-6-5(3-1)7-9-8-6/h1-4H,(H,7,8,9)",C6H5N3,119.0483472
3435,Benzothiophene,95-15-8,DTXSID2052736,7221,Benzothiophene,FCEHBMOGCRZNNI-UHFFFAOYSA-N,1-Benzothiophene,S1C=CC2=C1C=CC=C2,InChI=1S/C8H6S/c1-2-4-8-7(3-1)5-6-9-8/h1-6H,C8H6S,134.0190214
3436,Benzothiazole,95-16-9,DTXSID7024586,7222,Benzothiazole,IOJUPLGTWVMSFF-UHFFFAOYSA-N,"1,3-Benzothiazole",S1C=NC2=CC=CC=C12,InChI=1S/C7H5NS/c1-2-4-7-6(3-1)8-5-9-7/h1-5H,C7H5NS,135.0142703
3437,"1H-Indole, 2-methyl-",95-20-5,DTXSID5059117,7224,"1H-Indole, 2-methyl-",BHNHHSOHWZKFOX-UHFFFAOYSA-N,2-Methyl-1H-indole,CC1=CC2=CC=CC=C2N1,"InChI=1S/C9H9N/c1-7-6-8-4-2-3-5-9(8)10-7/h2-6,10H,1H3",C9H9N,131.0734993
3438,N-Cyclohexyl-2-benzothiazolesulfenamide,95-33-0,DTXSID5020360,7232,N-Cyclohexyl-2-benzothiazolesulfenamide,DEQZTKGFXNUBJL-UHFFFAOYSA-N,"N-[(1,3-Benzothiazol-2-yl)sulfanyl]cyclohexanamine",C1CCC(CC1)NSC1=NC2=C(S1)C=CC=C2,"InChI=1S/C13H16N2S2/c1-2-6-10(7-3-1)15-17-13-14-11-8-4-5-9-12(11)16-13/h4-5,8-10,15H,1-3,6-7H2",C13H16N2S2,264.0754909
3439,o-Xylene,95-47-6,DTXSID3021807,7237,o-Xylene,CTQNGGLPUBDAKN-UHFFFAOYSA-N,"1,2-Xylene",CC1=C(C)C=CC=C1,"InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3",C8H10,106.0782503
3440,o-Cresol,95-48-7,DTXSID8021808,335,o-Cresol,QWVGKYWNOKOFNN-UHFFFAOYSA-N,2-Methylphenol,CC1=C(O)C=CC=C1,"InChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3",C7H8O,108.0575149
3441,2-Chlorotoluene,95-49-8,DTXSID8023977,7238,2-Chlorotoluene,IBSQPLPBRSHTTG-UHFFFAOYSA-N,1-Chloro-2-methylbenzene,CC1=C(Cl)C=CC=C1,"InChI=1S/C7H7Cl/c1-6-4-2-3-5-7(6)8/h2-5H,1H3",C7H7Cl,126.0236279
3442,"1,2-Dichlorobenzene",95-50-1,DTXSID6020430,7239,"1,2-Dichlorobenzene",RFFLAFLAYFXFSW-UHFFFAOYSA-N,"1,2-Dichlorobenzene",ClC1=C(Cl)C=CC=C1,InChI=1S/C6H4Cl2/c7-5-3-1-2-4-6(5)8/h1-4H,C6H4Cl2,145.9690055
3443,2-Chloroaniline,95-51-2,DTXSID2021810,7240,2-Chloroaniline,AKCRQHGQIJBRMN-UHFFFAOYSA-N,2-Chloroaniline,NC1=C(Cl)C=CC=C1,"InChI=1S/C6H6ClN/c7-5-3-1-2-4-6(5)8/h1-4H,8H2",C6H6ClN,127.0188769
3444,2-Methylaniline,95-53-4,DTXSID1026164,7242,2-Methylaniline,RNVCVTLRINQCPJ-UHFFFAOYSA-N,2-Methylaniline,CC1=C(N)C=CC=C1,"InChI=1S/C7H9N/c1-6-4-2-3-5-7(6)8/h2-5H,8H2,1H3",C7H9N,107.0734993
3445,2-Bromophenol,95-56-7,DTXSID8052641,7244,2-Bromophenol,VADKRMSMGWJZCF-UHFFFAOYSA-N,2-Bromophenol,OC1=C(Br)C=CC=C1,"InChI=1S/C6H5BrO/c7-5-3-1-2-4-6(5)8/h1-4,8H",C6H5BrO,171.952378
3446,"1,2,4-Trimethylbenzene",95-63-6,DTXSID6021402,7247,"1,2,4-Trimethylbenzene",GWHJZXXIDMPWGX-UHFFFAOYSA-N,"1,2,4-Trimethylbenzene",CC1=CC(C)=C(C)C=C1,"InChI=1S/C9H12/c1-7-4-5-8(2)9(3)6-7/h4-6H,1-3H3",C9H12,120.0939004
3447,"2,4-Dimethylaniline",95-68-1,DTXSID8026305,7250,"2,4-Dimethylaniline",CZZZABOKJQXEBO-UHFFFAOYSA-N,"2,4-Dimethylaniline",CC1=CC(C)=C(N)C=C1,"InChI=1S/C8H11N/c1-6-3-4-8(9)7(2)5-6/h3-5H,9H2,1-2H3",C8H11N,121.0891494
3448,"3,4-Dichloroaniline",95-76-1,DTXSID7021815,7257,"3,4-Dichloroaniline",SDYWXFYBZPNOFX-UHFFFAOYSA-N,"3,4-Dichloroaniline",NC1=CC(Cl)=C(Cl)C=C1,"InChI=1S/C6H5Cl2N/c7-5-2-1-4(9)3-6(5)8/h1-3H,9H2",C6H5Cl2N,160.9799046
3449,"2,4-Diaminotoluene",95-80-7,DTXSID4020402,7261,"2,4-Diaminotoluene",VOZKAJLKRJDJLL-UHFFFAOYSA-N,"4-Methylbenzene-1,3-diamine",CC1=C(N)C=C(N)C=C1,"InChI=1S/C7H10N2/c1-5-2-3-6(8)4-7(5)9/h2-4H,8-9H2,1H3",C7H10N2,122.0843983
3450,"2,5-Dichloroaniline",95-82-9,DTXSID6024967,7262,"2,5-Dichloroaniline",AVYGCQXNNJPXSS-UHFFFAOYSA-N,"2,5-Dichloroaniline",NC1=C(Cl)C=CC(Cl)=C1,"InChI=1S/C6H5Cl2N/c7-4-1-2-5(8)6(9)3-4/h1-3H,9H2",C6H5Cl2N,160.9799046
3451,"1,2,4,5-Tetramethylbenzene",95-93-2,DTXSID1029124,7269,"1,2,4,5-Tetramethylbenzene",SQNZJJAZBFDUTD-UHFFFAOYSA-N,"1,2,4,5-Tetramethylbenzene",CC1=CC(C)=C(C)C=C1C,"InChI=1S/C10H14/c1-7-5-9(3)10(4)6-8(7)2/h5-6H,1-4H3",C10H14,134.1095505
3452,"2-phenyl-2,3-dihydroquinazolin-4(1h)-one",954-91-6,DTXSID90297068,270800,"2-phenyl-2,3-dihydroquinazolin-4(1h)-one",BIVGFFFLVZMILM-UHFFFAOYSA-N,"2-Phenyl-2,3-dihydroquinazolin-4(1H)-one",O=C1NC(NC2=CC=CC=C12)C1=CC=CC=C1,"InChI=1S/C14H12N2O/c17-14-11-8-4-5-9-12(11)15-13(16-14)10-6-2-1-3-7-10/h1-9,13,15H,(H,16,17)",C14H12N2O,224.094963
3453,"Methyl 5,13-docosadienoate",95490-52-1,DTXSID501016944,87678487,"Methyl 5,13-docosadienoate",QQOFQOHOBUWCQT-ZSTJXTSSSA-N,"Methyl (5E,13E)-docosa-5,13-dienoate",CCCCCCCC\C=C\CCCCCC\C=C\CCCC(=O)OC,"InChI=1S/C23H42O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25-2/h10-11,18-19H,3-9,12-17,20-22H2,1-2H3/b11-10+,19-18+",C23H42O2,350.3184806
3454,"N-[2-(2-Hydroxyethoxy)ethyl]-3-(4-nitrophenyl)-N-[(1R,2R,6S,6aS,11bS,11cS)-1,2,4,5,6,6a,11b,11c-octahydro-1,2-bis(4-hydroxybutyl)-10-[4-(methylthio)phenoxy]-4-[(phenylmethoxy)imino]-6a-(2-propen-1-yloxy)benzo[kl]xanthen-6-yl]-2-propenamide (ACI)",957855-80-0,,6633946,"N-[2-(2-Hydroxyethoxy)ethyl]-3-(4-nitrophenyl)-N-[(1R,2R,6S,6aS,11bS,11cS)-1,2,4,5,6,6a,11b,11c-octahydro-1,2-bis(4-hydroxybutyl)-10-[4-(methylthio)phenoxy]-4-[(phenylmethoxy)imino]-6a-(2-propen-1-yloxy)benzo[kl]xanthen-6-yl]-2-propenamide (ACI)",ZFZNWJNQYRAWKC-OGFVLBAISA-N,"N-[(1S,9S,10S,15R,16R,17S)-15,16-bis(4-hydroxybutyl)-4-(4-methylsulfanylphenoxy)-12-phenylmethoxyimino-9-prop-2-enoxy-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,13-tetraen-10-yl]-N-[2-(2-hydroxyethoxy)ethyl]-3-(4-nitrophenyl)prop-2-enamide",O=C(C=CC1=CC=C(C=C1)N(=O)=O)N(CCOCCO)C2CC(=NOCC=3C=CC=CC3)C4=CC(CCCCO)C(CCCCO)C5C6=CC(OC7=CC=C(SC)C=C7)=CC=C6OC2(OCC=C)C45,"InChI=1S/C54H63N3O11S/c1-3-31-65-54-50(56(27-32-64-33-30-60)51(61)26-17-38-15-18-41(19-16-38)57(62)63)36-48(55-66-37-39-11-5-4-6-12-39)46-34-40(13-7-9-28-58)45(14-8-10-29-59)52(53(46)54)47-35-43(22-25-49(47)68-54)67-42-20-23-44(69-2)24-21-42/h3-6,11-12,15-26,34-35,40,45,50,52-53,58-60H,1,7-10,13-14,27-33,36-37H2,2H3",C54H63N3O11S,961.418
3455,4-Amino-6-(2-furanyl)-2-[2-(4-morpholinyl)-2-oxoethyl]-3(2H)-pyridazinone (ACI),958723-20-1,,16676501,4-Amino-6-(2-furanyl)-2-[2-(4-morpholinyl)-2-oxoethyl]-3(2H)-pyridazinone (ACI),YAPGBNNPUKLKFK-UHFFFAOYSA-N,4-amino-6-(furan-2-yl)-2-(2-morpholin-4-yl-2-oxoethyl)pyridazin-3-one,O=C1C(N)=CC(=NN1CC(=O)N2CCOCC2)C=3OC=CC3,"InChI=1S/C14H16N4O4/c15-10-8-11(12-2-1-5-22-12)16-18(14(10)20)9-13(19)17-3-6-21-7-4-17/h1-2,5,8H,3-4,6-7,9,15H2",C14H16N4O4,304.117
3456,"1,1-Dimethylethyl 4-[3-[1-[(1S)-1-[(1,1-dimethylethoxy)carbonyl]-3-methylbutyl]-1H-1,2,3-triazol-4-yl]-5-[1-[(1S)-1-(hydroxymethyl)-2-methoxy-2-oxoethyl]-1H-1,2,3-triazol-4-yl]benzoyl]-1-piperazinecarboxylate (ACI)",958953-96-3,,16066559,"1,1-Dimethylethyl 4-[3-[1-[(1S)-1-[(1,1-dimethylethoxy)carbonyl]-3-methylbutyl]-1H-1,2,3-triazol-4-yl]-5-[1-[(1S)-1-(hydroxymethyl)-2-methoxy-2-oxoethyl]-1H-1,2,3-triazol-4-yl]benzoyl]-1-piperazinecarboxylate (ACI)",KQWWSHUWNPCRGZ-NSOVKSMOSA-N,tert-butyl 4-[3-[1-[(2S)-3-hydroxy-1-methoxy-1-oxopropan-2-yl]triazol-4-yl]-5-[1-[(2S)-4-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopentan-2-yl]triazol-4-yl]benzoyl]piperazine-1-carboxylate,O=C(OC(C)(C)C)N1CCN(C(=O)C2=CC(=CC(=C2)C=3N=NN(C3)C(C(=O)OC(C)(C)C)CC(C)C)C=4N=NN(C4)C(C(=O)OC)CO)CC1,"InChI=1S/C34H48N8O8/c1-21(2)14-27(31(46)49-33(3,4)5)41-18-25(35-37-41)22-15-23(26-19-42(38-36-26)28(20-43)30(45)48-9)17-24(16-22)29(44)39-10-12-40(13-11-39)32(47)50-34(6,7)8/h15-19,21,27-28,43H,10-14,20H2,1-9H3",C34H48N8O8,696.36
3457,"11,14,17,20-Tetraoxatriacontanedioic acid, 12,19-dioxo-, 1,30-diethyl ester (ZCI)",958991-54-3,,592861,"11,14,17,20-Tetraoxatriacontanedioic acid, 12,19-dioxo-, 1,30-diethyl ester (ZCI)",PYUGYIYSPUWPQU-UHFFFAOYSA-N,ethyl 10-[2-[2-[2-(10-ethoxy-10-oxodecoxy)-2-oxoethoxy]ethoxy]acetyl]oxydecanoate,O=C(OCCCCCCCCCC(=O)OCC)COCCOCC(=O)OCCCCCCCCCC(=O)OCC,"InChI=1S/C30H54O10/c1-3-37-27(31)19-15-11-7-5-9-13-17-21-39-29(33)25-35-23-24-36-26-30(34)40-22-18-14-10-6-8-12-16-20-28(32)38-4-2/h3-26H2,1-2H3",C30H54O10,574.372
3458,"12-Tetradecen-1-ol, 11-methyl-, 1-acetate, (12E)- (ACI)",958994-88-2,,,"12-Tetradecen-1-ol, 11-methyl-, 1-acetate, (12E)- (ACI)",XXLYWWIKAYGTIH-YIXHJXPBNA-N,,O=C(OCCCCCCCCCCC(C=CC)C)C,"InChI=1S/C17H32O2/c1-4-13-16(2)14-11-9-7-5-6-8-10-12-15-19-17(3)18/h4,13,16H,5-12,14-15H2,1-3H3",,
3459,"2-(Bromomethyl)tricyclo[3.3.1.13,7]decan-2-ol (ACI)",958999-40-1,,591964,"2-(Bromomethyl)tricyclo[3.3.1.13,7]decan-2-ol (ACI)",PWWUWHMOPRWJLR-UHFFFAOYSA-N,2-(bromomethyl)adamantan-2-ol,BrCC1(O)C2CC3CC(C2)CC1C3,"InChI=1S/C11H17BrO/c12-6-11(13)9-2-7-1-8(4-9)5-10(11)3-7/h7-10,13H,1-6H2",C11H17BrO,244.046
3460,bis(Hydroxyethyl) terephthalate,959-26-2,DTXSID3052644,13739,bis(Hydroxyethyl) terephthalate,QPKOBORKPHRBPS-UHFFFAOYSA-N,"Bis(2-hydroxyethyl) benzene-1,4-dicarboxylate",OCCOC(=O)C1=CC=C(C=C1)C(=O)OCCO,"InChI=1S/C12H14O6/c13-5-7-17-11(15)9-1-2-10(4-3-9)12(16)18-8-6-14/h1-4,13-14H,5-8H2",C12H14O6,254.0790382
3461,Endosulfan I,959-98-8,DTXSID9037539,,Endosulfan I,RDYMFSUJUZBWLH-BEJSPLBDNA-N,"(5aR,6S,9R,9aS)-6,7,8,9,10,10-Hexachloro-1,5,5a,6,9,9a-hexahydro-3H-6,9-methano-3lambda~4~-2,4,3lambda~4~-benzodioxathiepin-3-one",[H][C@]12CO[S@@](=O)OC[C@@]1([H])[C@@]1(Cl)C(Cl)=C(Cl)[C@]2(Cl)C1(Cl)Cl,"InChI=1S/C9H6Cl6O3S/c10-5-6(11)8(13)4-2-18-19(16)17-1-3(4)7(5,12)9(8,14)15/h3-4H,1-2H2/t3-,4+,7-,8+,19+",C9H6Cl6O3S,403.8168814
3462,"1,3,5,5,6,6-Hexamethyl-1,3-cyclohexadiene (ACI)",959004-89-8,,590945,"1,3,5,5,6,6-Hexamethyl-1,3-cyclohexadiene (ACI)",CIOJWLMRGFSYSW-UHFFFAOYSA-N,"1,3,5,5,6,6-hexamethylcyclohexa-1,3-diene",C=1C(=CC(C)(C)C(C1C)(C)C)C,"InChI=1S/C12H20/c1-9-7-10(2)12(5,6)11(3,4)8-9/h7-8H,1-6H3",C12H20,164.157
3463,N-Decyl-N-methyl-2-thiopheneethanamine (ACI),959007-88-6,,6424912,N-Decyl-N-methyl-2-thiopheneethanamine (ACI),OZSURVPJJOZBIX-UHFFFAOYSA-N,N-methyl-N-(2-thiophen-2-ylethyl)decan-1-amine,S1C=CC=C1CCN(C)CCCCCCCCCC,"InChI=1S/C17H31NS/c1-3-4-5-6-7-8-9-10-14-18(2)15-13-17-12-11-16-19-17/h11-12,16H,3-10,13-15H2,1-2H3",C17H31NS,281.218
3464,"1-(2-Hydroxyphenyl)-1,3-dodecanedione (ACI)",959013-38-8,,595971,"1-(2-Hydroxyphenyl)-1,3-dodecanedione (ACI)",BOCZHDNKOXONMK-UHFFFAOYSA-N,"1-(2-hydroxyphenyl)dodecane-1,3-dione",O=C(C=1C=CC=CC1O)CC(=O)CCCCCCCCC,"InChI=1S/C18H26O3/c1-2-3-4-5-6-7-8-11-15(19)14-18(21)16-12-9-10-13-17(16)20/h9-10,12-13,20H,2-8,11,14H2,1H3",C18H26O3,290.188
3465,"3,5-Octanedione, 2,2,4,7-tetramethyl- (ZCI)",959029-81-3,,546097,"3,5-Octanedione, 2,2,4,7-tetramethyl- (ZCI)",RDOOWFVZQBJITC-UHFFFAOYSA-N,"2,2,4,7-tetramethyloctane-3,5-dione",O=C(CC(C)C)C(C(=O)C(C)(C)C)C,"InChI=1S/C12H22O2/c1-8(2)7-10(13)9(3)11(14)12(4,5)6/h8-9H,7H2,1-6H3",C12H22O2,198.162
3466,"Z,Z,Z-1,4,6,9-Nonadecatetraene",959037-96-8,DTXSID601016311,5362676,"Z,Z,Z-1,4,6,9-Nonadecatetraene",RUMHNRJFLJGRNU-FVRZMWRVSA-N,"(4Z,6Z,9Z)-Nonadeca-1,4,6,9-tetraene",CCCCCCCCC\C=C/C\C=C/C=C\CC=C,"InChI=1S/C19H32/c1-3-5-7-9-11-13-15-17-19-18-16-14-12-10-8-6-4-2/h3,7,9,11,13,17,19H,1,4-6,8,10,12,14-16,18H2,2H3/b9-7-,13-11-,19-17-",C19H32,260.250401
3467,"Phenol, 2,4,6-tris(1,1-dimethylethyl)-, 1-formate (ACI)",959043-58-4,,618943,"Phenol, 2,4,6-tris(1,1-dimethylethyl)-, 1-formate (ACI)",JVDZBXHPIJBZCC-UHFFFAOYSA-N,"(2,4,6-tritert-butylphenyl) formate",O=COC=1C(=CC(=CC1C(C)(C)C)C(C)(C)C)C(C)(C)C,"InChI=1S/C19H30O2/c1-17(2,3)13-10-14(18(4,5)6)16(21-12-20)15(11-13)19(7,8)9/h10-12H,1-9H3",C19H30O2,290.225
3468,"1-(2-Methoxyethyl) 2-tetradecyl 1,2-benzenedicarboxylate (ACI)",959049-54-8,,6423567,"1-(2-Methoxyethyl) 2-tetradecyl 1,2-benzenedicarboxylate (ACI)",TZGWARKKHLPHBW-UHFFFAOYSA-N,"2-O-(2-methoxyethyl) 1-O-tetradecyl benzene-1,2-dicarboxylate",O=C(OCCOC)C=1C=CC=CC1C(=O)OCCCCCCCCCCCCCC,"InChI=1S/C25H40O5/c1-3-4-5-6-7-8-9-10-11-12-13-16-19-29-24(26)22-17-14-15-18-23(22)25(27)30-21-20-28-2/h14-15,17-18H,3-13,16,19-21H2,1-2H3",C25H40O5,420.288
3469,"N1,N8-Bis(benzoyloxy)octanediamide (ACI)",959050-34-1,,569846,"N1,N8-Bis(benzoyloxy)octanediamide (ACI)",PGGKLQYJCJJCSH-UHFFFAOYSA-N,[[8-(benzoyloxyamino)-8-oxooctanoyl]amino] benzoate,O=C(ONC(=O)CCCCCCC(=O)NOC(=O)C=1C=CC=CC1)C=2C=CC=CC2,"InChI=1S/C22H24N2O6/c25-19(23-29-21(27)17-11-5-3-6-12-17)15-9-1-2-10-16-20(26)24-30-22(28)18-13-7-4-8-14-18/h3-8,11-14H,1-2,9-10,15-16H2,(H,23,25)(H,24,26)",C22H24N2O6,412.163
3470,2-[(Cyanomethyl)amino]pentanedinitrile (ACI),959051-09-3,,564984,2-[(Cyanomethyl)amino]pentanedinitrile (ACI),ALVGXHMBGMBVTN-UHFFFAOYSA-N,2-(cyanomethylamino)pentanedinitrile,N#CCNC(C#N)CCC#N,"InChI=1S/C7H8N4/c8-3-1-2-7(6-10)11-5-4-9/h7,11H,1-2,5H2",C7H8N4,148.075
3471,"Tris(2,4-di-tert-butylphenyl) phosphate",95906-11-9,DTXSID20893779,14572930,"Tris(2,4-di-tert-butylphenyl) phosphate",AZSKHRTUXHLAHS-UHFFFAOYSA-N,"Tris(2,4-di-tert-butylphenyl) phosphate",CC(C)(C)C1=CC(=C(OP(=O)(OC2=C(C=C(C=C2)C(C)(C)C)C(C)(C)C)OC2=C(C=C(C=C2)C(C)(C)C)C(C)(C)C)C=C1)C(C)(C)C,"InChI=1S/C42H63O4P/c1-37(2,3)28-19-22-34(31(25-28)40(10,11)12)44-47(43,45-35-23-20-29(38(4,5)6)26-32(35)41(13,14)15)46-36-24-21-30(39(7,8)9)27-33(36)42(16,17)18/h19-27H,1-18H3",C42H63O4P,662.4463975
3472,1-Hexadecyl 2-(2-methylpropyl) ethanedioate (ACI),959067-95-9,,6420711,1-Hexadecyl 2-(2-methylpropyl) ethanedioate (ACI),SATRYENSMUUWJB-UHFFFAOYSA-N,1-O-hexadecyl 2-O-(2-methylpropyl) oxalate,O=C(OCCCCCCCCCCCCCCCC)C(=O)OCC(C)C,"InChI=1S/C22H42O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25-21(23)22(24)26-19-20(2)3/h20H,4-19H2,1-3H3",C22H42O4,370.308
3473,1-(2-Ethylhexyl) 2-hexyl ethanedioate (ACI),959068-01-0,,6420725,1-(2-Ethylhexyl) 2-hexyl ethanedioate (ACI),FWDWHMLXCGLZII-UHFFFAOYSA-N,2-O-(2-ethylhexyl) 1-O-hexyl oxalate,O=C(OCCCCCC)C(=O)OCC(CC)CCCC,"InChI=1S/C16H30O4/c1-4-7-9-10-12-19-15(17)16(18)20-13-14(6-3)11-8-5-2/h14H,4-13H2,1-3H3",C16H30O4,286.214
3474,"1-(2-Methylpropyl) 2-octyl 1,2-benzenedicarboxylate (ACI)",959074-05-6,,6423815,"1-(2-Methylpropyl) 2-octyl 1,2-benzenedicarboxylate (ACI)",VUZMWXPSHBFURN-UHFFFAOYSA-N,"2-O-(2-methylpropyl) 1-O-octyl benzene-1,2-dicarboxylate",O=C(OCCCCCCCC)C=1C=CC=CC1C(=O)OCC(C)C,"InChI=1S/C20H30O4/c1-4-5-6-7-8-11-14-23-19(21)17-12-9-10-13-18(17)20(22)24-15-16(2)3/h9-10,12-13,16H,4-8,11,14-15H2,1-3H3",C20H30O4,334.214
3475,(4E)-4-Methyl-4-nonadecene (ACI),959075-88-8,,5364753,(4E)-4-Methyl-4-nonadecene (ACI),LPDYVNCVHLCUQH-FMQUCBEESA-N,(E)-4-methylnonadec-4-ene,C(=C(C)CCC)CCCCCCCCCCCCCC,"InChI=1S/C20H40/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-19-20(3)18-5-2/h19H,4-18H2,1-3H3",C20H40,280.313
3476,"2,3-Dimethyl-5-(trifluoromethyl)-1,4-benzenediol (ACI)",959105-32-9,,590850,"2,3-Dimethyl-5-(trifluoromethyl)-1,4-benzenediol (ACI)",TYCIZVUOGKUPFF-UHFFFAOYSA-N,"2,3-dimethyl-5-(trifluoromethyl)benzene-1,4-diol",FC(F)(F)C1=CC(O)=C(C(=C1O)C)C,"InChI=1S/C9H9F3O2/c1-4-5(2)8(14)6(3-7(4)13)9(10,11)12/h3,13-14H,1-2H3",C9H9F3O2,206.055
3477,2-Methyl-2-[4-methyl-3-(1-methylethylidene)-1-pentyn-1-yl]cyclobutanone (ACI),959110-91-9,,590280,2-Methyl-2-[4-methyl-3-(1-methylethylidene)-1-pentyn-1-yl]cyclobutanone (ACI),RLMQWGSUQMGDGC-UHFFFAOYSA-N,2-methyl-2-(4-methyl-3-propan-2-ylpent-3-en-1-ynyl)cyclobutan-1-one,O=C1CCC1(C#CC(=C(C)C)C(C)C)C,"InChI=1S/C14H20O/c1-10(2)12(11(3)4)6-8-14(5)9-7-13(14)15/h10H,7,9H2,1-5H3",C14H20O,204.151
3478,Octyl 2-(phenylthio)acetate (ACI),959230-82-1,,531629,Octyl 2-(phenylthio)acetate (ACI),QGVZNJTVKALZLR-UHFFFAOYSA-N,octyl 2-phenylsulfanylacetate,O=C(OCCCCCCCC)CSC=1C=CC=CC1,"InChI=1S/C16H24O2S/c1-2-3-4-5-6-10-13-18-16(17)14-19-15-11-8-7-9-12-15/h7-9,11-12H,2-6,10,13-14H2,1H3",C16H24O2S,280.15
3479,"1,4-Diethylhexyl benzeneacetate (ACI)",959232-99-6,,561139,"1,4-Diethylhexyl benzeneacetate (ACI)",XVUJVCFWWKASMV-UHFFFAOYSA-N,6-ethyloctan-3-yl 2-phenylacetate,O=C(OC(CC)CCC(CC)CC)CC=1C=CC=CC1,"InChI=1S/C18H28O2/c1-4-15(5-2)12-13-17(6-3)20-18(19)14-16-10-8-7-9-11-16/h7-11,15,17H,4-6,12-14H2,1-3H3",C18H28O2,276.209
3480,"3,15-Octadecadien-1-ol, 1-acetate, (3Z,15Z)- (ACI)",959255-26-6,,5363218,"3,15-Octadecadien-1-ol, 1-acetate, (3Z,15Z)- (ACI)",HSNSJXNXPMWZDT-YAJCTXPQSA-N,"[(3Z,15Z)-octadeca-3,15-dienyl] acetate",O=C(OCCC=CCCCCCCCCCCC=CCC)C,"InChI=1S/C20H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-20(2)21/h4-5,16-17H,3,6-15,18-19H2,1-2H3",C20H36O2,308.272
3481,Decyl cyclopentanecarboxylate (ACI),959257-45-5,,575355,Decyl cyclopentanecarboxylate (ACI),DMBAHFHSYCJJPF-UHFFFAOYSA-N,decyl cyclopentanecarboxylate,O=C(OCCCCCCCCCC)C1CCCC1,"InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-11-14-18-16(17)15-12-9-10-13-15/h15H,2-14H2,1H3",C16H30O2,254.225
3482,"1,1,3-Trimethyl-3-phenylbutyl thiocyanate (ACI)",959257-86-4,,576867,"1,1,3-Trimethyl-3-phenylbutyl thiocyanate (ACI)",BCYWZTZULLNQOF-UHFFFAOYSA-N,"(2,4-dimethyl-4-phenylpentan-2-yl) thiocyanate",N#CSC(C)(C)CC(C=1C=CC=CC1)(C)C,"InChI=1S/C14H19NS/c1-13(2,10-14(3,4)16-11-15)12-8-6-5-7-9-12/h5-9H,10H2,1-4H3",C14H19NS,233.124
3483,"S-[(2E)-1,3-Diphenyl-2-buten-1-yl] N,N-dimethylcarbamothioate (ACI)",959270-09-8,,,"S-[(2E)-1,3-Diphenyl-2-buten-1-yl] N,N-dimethylcarbamothioate (ACI)",ZZVJFOILOLRPMZ-CCEZHUSRNA-N,,O=C(SC(C=C(C=1C=CC=CC1)C)C=2C=CC=CC2)N(C)C,"InChI=1S/C19H21NOS/c1-15(16-10-6-4-7-11-16)14-18(22-19(21)20(2)3)17-12-8-5-9-13-17/h4-14,18H,1-3H3",,
3484,"6-ethyloctan-3-yl methyl benzene-1,2-dicarboxylate",959274-36-3,DTXSID701017174,6424484,"6-ethyloctan-3-yl methyl benzene-1,2-dicarboxylate",NNLHVOOQTJWDLH-UHFFFAOYSA-N,"6-Ethyloctan-3-yl methyl benzene-1,2-dicarboxylate",CCC(CC)CCC(CC)OC(=O)C1=CC=CC=C1C(=O)OC,"InChI=1S/C19H28O4/c1-5-14(6-2)12-13-15(7-3)23-19(21)17-11-9-8-10-16(17)18(20)22-4/h8-11,14-15H,5-7,12-13H2,1-4H3",C19H28O4,320.1987594
3485,"1,1?-[3-(2-Cyclopenten-1-yl)-2-methyl-1-propen-1-ylidene]bis[benzene] (ACI)",959282-02-1,,610079,"1,1?-[3-(2-Cyclopenten-1-yl)-2-methyl-1-propen-1-ylidene]bis[benzene] (ACI)",WZJOJDGIZRREKX-UHFFFAOYSA-N,(3-cyclopent-2-en-1-yl-2-methyl-1-phenylprop-1-enyl)benzene,C=1C=CC(=CC1)C(C=2C=CC=CC2)=C(C)CC3C=CCC3,"InChI=1S/C21H22/c1-17(16-18-10-8-9-11-18)21(19-12-4-2-5-13-19)20-14-6-3-7-15-20/h2-8,10,12-15,18H,9,11,16H2,1H3",C21H22,274.172
3486,"Phosphonic acid, P-butyl-, bis(2-phenylethyl) ester (ZCI)",959284-04-9,,6421932,"Phosphonic acid, P-butyl-, bis(2-phenylethyl) ester (ZCI)",RDUVZBBMPBWFPD-UHFFFAOYSA-N,2-[butyl(2-phenylethoxy)phosphoryl]oxyethylbenzene,O=P(OCCC=1C=CC=CC1)(OCCC=2C=CC=CC2)CCCC,"InChI=1S/C20H27O3P/c1-2-3-18-24(21,22-16-14-19-10-6-4-7-11-19)23-17-15-20-12-8-5-9-13-20/h4-13H,2-3,14-18H2,1H3",C20H27O3P,346.17
3487,"Phthalic acid, isobutyl tridec-2-yn-1-yl ester",959284-34-5,DTXSID201017943,6423518,"Phthalic acid, isobutyl tridec-2-yn-1-yl ester",QHLVIRXZSIFCMP-UHFFFAOYSA-N,"2-Methylpropyl tridec-2-yn-1-yl benzene-1,2-dicarboxylate",CCCCCCCCCCC#CCOC(=O)C1=CC=CC=C1C(=O)OCC(C)C,"InChI=1S/C25H36O4/c1-4-5-6-7-8-9-10-11-12-13-16-19-28-24(26)22-17-14-15-18-23(22)25(27)29-20-21(2)3/h14-15,17-18,21H,4-12,19-20H2,1-3H3",C25H36O4,400.2613596
3488,"3,5-Dichloro-4-(dodecylthio)-2,6-dimethylpyridine (ACI)",959295-46-6,,536613,"3,5-Dichloro-4-(dodecylthio)-2,6-dimethylpyridine (ACI)",QGBWWLVFYIIBJI-UHFFFAOYSA-N,"3,5-dichloro-4-dodecylsulfanyl-2,6-dimethylpyridine",ClC=1C(SCCCCCCCCCCCC)=C(Cl)C(=NC1C)C,"InChI=1S/C19H31Cl2NS/c1-4-5-6-7-8-9-10-11-12-13-14-23-19-17(20)15(2)22-16(3)18(19)21/h4-14H2,1-3H3",C19H31Cl2NS,375.155
3489,Dihydro-4-methyl-3-(2E)-2-penten-1-yl-2(3H)-furanone (ACI),959298-74-9,,,Dihydro-4-methyl-3-(2E)-2-penten-1-yl-2(3H)-furanone (ACI),MHAFEDCSWUVKOS-SNAWJCMRNA-N,,O=C1OCC(C)C1CC=CCC,"InChI=1S/C10H16O2/c1-3-4-5-6-9-8(2)7-12-10(9)11/h4-5,8-9H,3,6-7H2,1-2H3",,
3490,"(3E,14E,16E)-1,3,14,16-Nonadecatetraene (ACI)",959301-06-5,,5365574,"(3E,14E,16E)-1,3,14,16-Nonadecatetraene (ACI)",YOXPHYCVBKZAGE-YBSKXHOQSA-N,"(3E,14E,16E)-nonadeca-1,3,14,16-tetraene",C=CC=CCCCCCCCCCC=CC=CCC,"InChI=1S/C19H32/c1-3-5-7-9-11-13-15-17-19-18-16-14-12-10-8-6-4-2/h3,5-8,10,12H,1,4,9,11,13-19H2,2H3",C19H32,260.25
3491,"4,7,10,13,16,19-Hexaoxadocosane-2,21-diol, 5,8,11,14,17-pentamethyl-, (2S,5R,8R,11S,14S,17S,21R)- (ZCI)",959316-51-9,,11963525,"4,7,10,13,16,19-Hexaoxadocosane-2,21-diol, 5,8,11,14,17-pentamethyl-, (2S,5R,8R,11S,14S,17S,21R)- (ZCI)",XGDXHSHOQKNIEW-YSPFXGIPSA-N,(2R)-1-[(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-[(2R)-2-[(2S)-2-hydroxypropoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-2-ol,OC(C)COCC(OCC(OCC(OCC(OCC(OCC(O)C)C)C)C)C)C,"InChI=1S/C21H44O8/c1-15(22)8-24-10-17(3)26-12-19(5)28-14-21(7)29-13-20(6)27-11-18(4)25-9-16(2)23/h15-23H,8-14H2,1-7H3",C21H44O8,424.304
3492,"10?a,10a-Dioctyl (5S,5?S,6R,6?R)-6,6?,7,7?,8,8?-hexahydro-1,1?,5,5?,9,9?-hexahydroxy-6,6?-dimethyl-8,8?-dioxo[2,2?-bixanthene]-10?a,10a(5H,5?H)-dicarboxylate (ACI)",959370-97-9,,5458525,"10?a,10a-Dioctyl (5S,5?S,6R,6?R)-6,6?,7,7?,8,8?-hexahydro-1,1?,5,5?,9,9?-hexahydroxy-6,6?-dimethyl-8,8?-dioxo[2,2?-bixanthene]-10?a,10a(5H,5?H)-dicarboxylate (ACI)",XGOCLYVULCACOE-MSEVCZFPSA-N,"octyl (3R,4S)-4,8,9-trihydroxy-3-methyl-1-oxo-7-[(5S,6R)-1,5,9-trihydroxy-6-methyl-10a-octoxycarbonyl-8-oxo-6,7-dihydro-5H-xanthen-2-yl]-3,4-dihydro-2H-xanthene-4a-carboxylate",O=C(OCCCCCCCC)C12OC3=CC=C(C(O)=C3C(O)=C2C(=O)CC(C)C1O)C=4C=CC=5OC6(C(=O)OCCCCCCCC)C(C(=O)CC(C)C6O)=C(O)C5C4O,"InChI=1S/C46H58O14/c1-5-7-9-11-13-15-21-57-43(55)45-35(29(47)23-25(3)41(45)53)39(51)33-31(59-45)19-17-27(37(33)49)28-18-20-32-34(38(28)50)40(52)36-30(48)24-26(4)42(54)46(36,60-32)44(56)58-22-16-14-12-10-8-6-2/h17-20,25-26,41-42,49-54H,5-16,21-24H2,1-4H3",C46H58O14,834.383
3493,Allyl methacrylate,96-05-9,DTXSID2021816,7274,Allyl methacrylate,FBCQUCJYYPMKRO-UHFFFAOYSA-N,Prop-2-en-1-yl 2-methylprop-2-enoate,CC(=C)C(=O)OCC=C,"InChI=1S/C7H10O2/c1-4-5-9-7(8)6(2)3/h4H,1-2,5H2,3H3",C7H10O2,126.0680796
3494,Styrene oxide,96-09-3,DTXSID2021286,7276,Styrene oxide,AWMVMTVKBNGEAK-UHFFFAOYSA-N,2-Phenyloxirane,C1OC1C1=CC=CC=C1,"InChI=1S/C8H8O/c1-2-4-7(5-3-1)8-6-9-8/h1-5,8H,6H2",C8H8O,120.0575149
3495,2-Methylbutanal,96-17-3,DTXSID2021818,7284,2-Methylbutanal,BYGQBDHUGHBGMD-UHFFFAOYSA-N,2-Methylbutanal,CCC(C)C=O,"InChI=1S/C5H10O/c1-3-5(2)4-6/h4-5H,3H2,1-2H3",C5H10O,86.07316494
3496,"1,2,3-Trichloropropane",96-18-4,DTXSID9021390,7285,"1,2,3-Trichloropropane",CFXQEHVMCRXUSD-UHFFFAOYSA-N,"1,2,3-Trichloropropane",ClCC(Cl)CCl,"InChI=1S/C3H5Cl3/c4-1-3(6)2-5/h3H,1-2H2",C3H5Cl3,145.9456833
3497,Methylcyclopentane,96-37-7,DTXSID3025590,7296,Methylcyclopentane,GDOPTJXRTPNYNR-UHFFFAOYSA-N,Methylcyclopentane,CC1CCCC1,"InChI=1S/C6H12/c1-6-4-2-3-5-6/h6H,2-5H2,1H3",C6H12,84.09390039
3498,gamma-Butyrolactone,96-48-0,DTXSID6020224,7302,gamma-Butyrolactone,YEJRWHAVMIAJKC-UHFFFAOYSA-N,Oxolan-2-one,O=C1CCCO1,InChI=1S/C4H6O2/c5-4-2-1-3-6-4/h1-3H2,C4H6O2,86.03677943
3499,"4,4'-Thiobis(6-tert-butyl-m-cresol)",96-69-5,DTXSID4021341,7308,"4,4'-Thiobis(6-tert-butyl-m-cresol)",HXIQYSLFEXIOAV-UHFFFAOYSA-N,"4,4'-Sulfanediylbis(2-tert-butyl-5-methylphenol)",CC1=CC(O)=C(C=C1SC1=C(C)C=C(O)C(=C1)C(C)(C)C)C(C)(C)C,"InChI=1S/C22H30O2S/c1-13-9-17(23)15(21(3,4)5)11-19(13)25-20-12-16(22(6,7)8)18(24)10-14(20)2/h9-12,23-24H,1-8H3",C22H30O2S,358.1966514
3500,"2,4-Di-tert-butylphenol",96-76-4,DTXSID2026602,7311,"2,4-Di-tert-butylphenol",ICKWICRCANNIBI-UHFFFAOYSA-N,"2,4-Di-tert-butylphenol",CC(C)(C)C1=CC(=C(O)C=C1)C(C)(C)C,"InChI=1S/C14H22O/c1-13(2,3)10-7-8-12(15)11(9-10)14(4,5)6/h7-9,15H,1-6H3",C14H22O,206.1670653
3501,"2-tert-Butyl-4,6-bis(2,4,4-trimethylpentan-2-yl)phenol",96069-86-2,DTXSID40615713,21535266,"2-tert-Butyl-4,6-bis(2,4,4-trimethylpentan-2-yl)phenol",QZDIGKQKIYTXIS-UHFFFAOYSA-N,"2-tert-Butyl-4,6-bis(2,4,4-trimethylpentan-2-yl)phenol",CC(C)(C)CC(C)(C)C1=CC(=C(O)C(=C1)C(C)(C)CC(C)(C)C)C(C)(C)C,"InChI=1S/C26H46O/c1-22(2,3)16-25(10,11)18-14-19(24(7,8)9)21(27)20(15-18)26(12,13)17-23(4,5)6/h14-15,27H,16-17H2,1-13H3",C26H46O,374.3548661
3502,"?-D-Glucopyranose, O-2,3,4-tri-O-acetyl-?-D-glucopyranosyl-(1?6)-O-2,3,4-tri-O-acetyl-?-D-glucopyranosyl-(1?6)-1,6??-anhydro-, triacetate (9CI)",96399-51-8,,,"?-D-Glucopyranose, O-2,3,4-tri-O-acetyl-?-D-glucopyranosyl-(1?6)-O-2,3,4-tri-O-acetyl-?-D-glucopyranosyl-(1?6)-1,6??-anhydro-, triacetate (9CI)",NJFHJVQWJLIZHF-KLNYIVPDSA-N,,O=C(OC1C2OCC3OC(OCC4OC(OCC(O2)C(OC(=O)C)C1OC(=O)C)C(OC(=O)C)C(OC(=O)C)C4OC(=O)C)C(OC(=O)C)C(OC(=O)C)C3OC(=O)C)C,"InChI=1S/C36H48O24/c1-13(37)49-25-22-10-46-35-32(56-20(8)44)29(53-17(5)41)27(51-15(3)39)24(59-35)12-48-36-33(57-21(9)45)30(54-18(6)42)26(50-14(2)38)23(60-36)11-47-34(58-22)31(55-19(7)43)28(25)52-16(4)40/h22-36H,10-12H2,1-9H3",,
3503,Decyl nonyl phthalate,96507-76-5,DTXSID40242285,3024584,Decyl nonyl phthalate,NSZKIDSVINDASL-UHFFFAOYSA-N,"Decyl nonyl benzene-1,2-dicarboxylate",CCCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCCC,"InChI=1S/C27H44O4/c1-3-5-7-9-11-13-15-19-23-31-27(29)25-21-17-16-20-24(25)26(28)30-22-18-14-12-10-8-6-4-2/h16-17,20-21H,3-15,18-19,22-23H2,1-2H3",C27H44O4,432.3239599
3504,2-Methoxy-4-nitroaniline,97-52-9,DTXSID0038700,7337,2-Methoxy-4-nitroaniline,GVBHRNIWBGTNQA-UHFFFAOYSA-N,2-Methoxy-4-nitroaniline,COC1=CC(=CC=C1N)[N+]([O-])=O,"InChI=1S/C7H8N2O3/c1-12-7-4-5(9(10)11)2-3-6(7)8/h2-4H,8H2,1H3",C7H8N2O3,168.0534921
3505,Eugenol,97-53-0,DTXSID9020617,3314,Eugenol,RRAFCDWBNXTKKO-UHFFFAOYSA-N,2-Methoxy-4-(prop-2-en-1-yl)phenol,COC1=C(O)C=CC(CC=C)=C1,"InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3",C10H12O2,164.0837296
3506,Isoeugenol,97-54-1,DTXSID7022413,7338,Isoeugenol,BJIOGJUNALELMI-UHFFFAOYSA-N,2-Methoxy-4-(prop-1-en-1-yl)phenol,COC1=CC(C=CC)=CC=C1O,"InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3-7,11H,1-2H3",C10H12O2,164.0837296
3507,o-Aminoazotoluene,97-56-3,DTXSID1020069,7340,o-Aminoazotoluene,PFRYFZZSECNQOL-UHFFFAOYSA-N,2-Methyl-4-[(2-methylphenyl)diazenyl]aniline,CC1=CC=CC=C1N=NC1=CC(C)=C(N)C=C1,"InChI=1S/C14H15N3/c1-10-5-3-4-6-14(10)17-16-12-7-8-13(15)11(2)9-12/h3-9H,15H2,1-2H3",C14H15N3,225.1265975
3508,Ethyl methacrylate,97-63-2,DTXSID1025308,7343,Ethyl methacrylate,SUPCQIBBMFXVTL-UHFFFAOYSA-N,Ethyl 2-methylprop-2-enoate,CCOC(=O)C(C)=C,"InChI=1S/C6H10O2/c1-4-8-6(7)5(2)3/h2,4H2,1,3H3",C6H10O2,114.0680796
3509,Isobutyric anhydride,97-72-3,DTXSID7026609,7346,Isobutyric anhydride,LSACYLWPPQLVSM-UHFFFAOYSA-N,2-Methylpropanoic anhydride,CC(C)C(=O)OC(=O)C(C)C,"InChI=1S/C8H14O3/c1-5(2)7(9)11-8(10)6(3)4/h5-6H,1-4H3",C8H14O3,158.0942943
3510,Isobutyl methacrylate,97-86-9,DTXSID3025461,7352,Isobutyl methacrylate,RUMACXVDVNRZJZ-UHFFFAOYSA-N,2-Methylpropyl 2-methylprop-2-enoate,CC(C)COC(=O)C(C)=C,"InChI=1S/C8H14O2/c1-6(2)5-10-8(9)7(3)4/h6H,3,5H2,1-2,4H3",C8H14O2,142.0993797
3511,Butyl methacrylate,97-88-1,DTXSID4024696,7354,Butyl methacrylate,SOGAXMICEFXMKE-UHFFFAOYSA-N,Butyl 2-methylprop-2-enoate,CCCCOC(=O)C(C)=C,"InChI=1S/C8H14O2/c1-4-5-6-10-8(9)7(2)3/h2,4-6H2,1,3H3",C8H14O2,142.0993797
3512,Ethylene glycol dimethacrylate,97-90-5,DTXSID1026615,7355,Ethylene glycol dimethacrylate,STVZJERGLQHEKB-UHFFFAOYSA-N,"Ethane-1,2-diyl bis(2-methylprop-2-enoate)",CC(=C)C(=O)OCCOC(=O)C(C)=C,"InChI=1S/C10H14O4/c1-7(2)9(11)13-5-6-14-10(12)8(3)4/h1,3,5-6H2,2,4H3",C10H14O4,198.0892089
3513,"2-chlorobenzoic acid, undecyl ester",97221-96-0,DTXSID90880878,523192,"2-chlorobenzoic acid, undecyl ester",LZZUEDTUAJZZBG-UHFFFAOYSA-N,Undecyl 2-chlorobenzoate,CCCCCCCCCCCOC(=O)C1=CC=CC=C1Cl,"InChI=1S/C18H27ClO2/c1-2-3-4-5-6-7-8-9-12-15-21-18(20)16-13-10-11-14-17(16)19/h10-11,13-14H,2-9,12,15H2,1H3",C18H27ClO2,310.1699578
3514,2-Methyl-2-(4-methylpent-3-en-1-yl)cyclopropane-1-carbaldehyde,97231-35-1,DTXSID90914046,549586,2-Methyl-2-(4-methylpent-3-en-1-yl)cyclopropane-1-carbaldehyde,HVRSGXFUZOKZNT-UHFFFAOYSA-N,2-Methyl-2-(4-methylpent-3-en-1-yl)cyclopropane-1-carbaldehyde,CC(C)=CCCC1(C)CC1C=O,"InChI=1S/C11H18O/c1-9(2)5-4-6-11(3)7-10(11)8-12/h5,8,10H,4,6-7H2,1-3H3",C11H18O,166.1357652
3515,"Bis(2,4-di-tert- butylphenyl) pentaerythritol diphosphate",97994-11-1,DTXSID801043497,14569991,"Bis(2,4-di-tert- butylphenyl) pentaerythritol diphosphate",UUGYQSGVIHEBQD-UHFFFAOYSA-N,,CC(C)(C)C1=CC=C(OP2(=O)OCC3(CO2)COP(=O)(OC2=CC=C(C=C2C(C)(C)C)C(C)(C)C)OC3)C(=C1)C(C)(C)C,"InChI=1S/C33H50O8P2/c1-29(2,3)23-13-15-27(25(17-23)31(7,8)9)40-42(34)36-19-33(20-37-42)21-38-43(35,39-22-33)41-28-16-14-24(30(4,5)6)18-26(28)32(10,11)12/h13-18H,19-22H2,1-12H3",C33H50O8P2,636.2980926
3516,Furfuryl alcohol,98-00-0,DTXSID2025347,7361,Furfuryl alcohol,XPFVYQJUAUNWIW-UHFFFAOYSA-N,(Furan-2-yl)methanol,OCC1=CC=CO1,"InChI=1S/C5H6O2/c6-4-5-2-1-3-7-5/h1-3,6H,4H2",C5H6O2,98.03677943
3517,Furfural,98-01-1,DTXSID1020647,7362,Furfural,HYBBIBNJHNGZAN-UHFFFAOYSA-N,Furan-2-carbaldehyde,O=CC1=CC=CO1,InChI=1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H,C5H4O2,96.02112937
3518,tert-Butylbenzene,98-06-6,DTXSID3047138,7366,tert-Butylbenzene,YTZKOQUCBOVLHL-UHFFFAOYSA-N,tert-Butylbenzene,CC(C)(C)C1=CC=CC=C1,"InChI=1S/C10H14/c1-10(2,3)9-7-5-4-6-8-9/h4-8H,1-3H3",C10H14,134.1095505
3519,3-(Trifluoromethyl)aniline,98-16-8,DTXSID9024512,7375,3-(Trifluoromethyl)aniline,VIUDTWATMPPKEL-UHFFFAOYSA-N,3-(Trifluoromethyl)aniline,NC1=CC(=CC=C1)C(F)(F)F,"InChI=1S/C7H6F3N/c8-7(9,10)5-2-1-3-6(11)4-5/h1-4H,11H2",C7H6F3N,161.0452337
3520,"Phenol, 4-(1,1-dimethylethyl)-2-methyl-",98-27-1,DTXSID5059163,7379,"Phenol, 4-(1,1-dimethylethyl)-2-methyl-",SNKLPZOJLXDZCW-UHFFFAOYSA-N,4-tert-Butyl-2-methylphenol,CC1=C(O)C=CC(=C1)C(C)(C)C,"InChI=1S/C11H16O/c1-8-7-9(11(2,3)4)5-6-10(8)12/h5-7,12H,1-4H3",C11H16O,164.1201151
3521,"4-(1,1-Dimethylethyl)phenol",98-54-4,DTXSID1020221,7393,"4-(1,1-Dimethylethyl)phenol",QHPQWRBYOIRBIT-UHFFFAOYSA-N,4-tert-Butylphenol,CC(C)(C)C1=CC=C(O)C=C1,"InChI=1S/C10H14O/c1-10(2,3)8-4-6-9(11)7-5-8/h4-7,11H,1-3H3",C10H14O,150.1044651
3522,alpha-Terpineol,98-55-5,DTXSID5026625,17100,alpha-Terpineol,WUOACPNHFRMFPN-UHFFFAOYSA-N,2-(4-Methylcyclohex-3-en-1-yl)propan-2-ol,CC1=CCC(CC1)C(C)(C)O,"InChI=1S/C10H18O/c1-8-4-6-9(7-5-8)10(2,3)11/h4,9,11H,5-7H2,1-3H3",C10H18O,154.1357652
3523,4-tert-Butylbenzoic acid,98-73-7,DTXSID0040703,7403,4-tert-Butylbenzoic acid,KDVYCTOWXSLNNI-UHFFFAOYSA-N,4-tert-Butylbenzoic acid,CC(C)(C)C1=CC=C(C=C1)C(O)=O,"InChI=1S/C11H14O2/c1-11(2,3)9-6-4-8(5-7-9)10(12)13/h4-7H,1-3H3,(H,12,13)",C11H14O2,178.0993797
3524,Cumene,98-82-8,DTXSID1021827,7406,Cumene,RWGFKTVRMDUZSP-UHFFFAOYSA-N,(Propan-2-yl)benzene,CC(C)C1=CC=CC=C1,"InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3",C9H12,120.0939004
3525,alpha-Methylstyrene,98-83-9,DTXSID9025661,7407,alpha-Methylstyrene,XYLMUPLGERFSHI-UHFFFAOYSA-N,(Prop-1-en-2-yl)benzene,CC(=C)C1=CC=CC=C1,"InChI=1S/C9H10/c1-8(2)9-6-4-3-5-7-9/h3-7H,1H2,2H3",C9H10,118.0782503
3526,Acetophenone,98-86-2,DTXSID6021828,7410,Acetophenone,KWOLFJPFCHCOCG-UHFFFAOYSA-N,1-Phenylethan-1-one,CC(=O)C1=CC=CC=C1,"InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3",C8H8O,120.0575149
3527,Benzoyl chloride,98-88-4,DTXSID9026631,7412,Benzoyl chloride,PASDCCFISLVPSO-UHFFFAOYSA-N,Benzoyl chloride,ClC(=O)C1=CC=CC=C1,InChI=1S/C7H5ClO/c8-7(9)6-4-2-1-3-5-6/h1-5H,C7H5ClO,140.0028925
3528,"N,N-Dimethylcyclohexylamine",98-94-2,DTXSID9026633,7415,"N,N-Dimethylcyclohexylamine",SVYKKECYCPFKGB-UHFFFAOYSA-N,"N,N-Dimethylcyclohexanamine",CN(C)C1CCCCC1,"InChI=1S/C8H17N/c1-9(2)8-6-4-3-5-7-8/h8H,3-7H2,1-2H3",C8H17N,127.1360996
3529,Nitrobenzene,98-95-3,DTXSID3020964,7416,Nitrobenzene,LQNUZADURLCDLV-UHFFFAOYSA-N,Nitrobenzene,[O-][N+](=O)C1=CC=CC=C1,InChI=1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H,C6H5NO2,123.0320284
3530,"benzene, [1-[[1-(1-methylethyl)-3-butenyl]oxy]ethyl]-, [s-(r*,r*)]-",98088-51-8,DTXSID00880708,570599,"benzene, [1-[[1-(1-methylethyl)-3-butenyl]oxy]ethyl]-, [s-(r*,r*)]-",HQFZCJFCRWQONH-UHFFFAOYSA-N,{1-[(2-Methylhex-5-en-3-yl)oxy]ethyl}benzene,CC(C)C(CC=C)OC(C)C1=CC=CC=C1,"InChI=1S/C15H22O/c1-5-9-15(12(2)3)16-13(4)14-10-7-6-8-11-14/h5-8,10-13,15H,1,9H2,2-4H3",C15H22O,218.1670653
3531,p-tert-Butylphenyl diphenyl phosphate,981-40-8,DTXSID10274038,70425,p-tert-Butylphenyl diphenyl phosphate,ULGAVXUJJBOWOD-UHFFFAOYSA-N,4-tert-Butylphenyl diphenyl phosphate,CC(C)(C)C1=CC=C(OP(=O)(OC2=CC=CC=C2)OC2=CC=CC=C2)C=C1,"InChI=1S/C22H23O4P/c1-22(2,3)18-14-16-21(17-15-18)26-27(23,24-19-10-6-4-7-11-19)25-20-12-8-5-9-13-20/h4-17H,1-3H3",C22H23O4P,382.1333962
3532,"3a,6-methano-3ah-indene, 2,3,4,5,6,7-hexahydro-",98640-10-9,DTXSID30880655,570483,"3a,6-methano-3ah-indene, 2,3,4,5,6,7-hexahydro-",AFEYPUTUUQHPJT-UHFFFAOYSA-N,"2,3,4,5,6,7-Hexahydro-3a,6-methanoindene",C1CC23CCC(CC2=C1)C3,"InChI=1S/C10H14/c1-2-9-6-8-3-5-10(9,4-1)7-8/h2,8H,1,3-7H2",C10H14,134.1095505
3533,3-Aminoacetophenone,99-03-6,DTXSID0021830,7417,3-Aminoacetophenone,CKQHAYFOPRIUOM-UHFFFAOYSA-N,1-(3-Aminophenyl)ethan-1-one,CC(=O)C1=CC=CC(N)=C1,"InChI=1S/C8H9NO/c1-6(10)7-3-2-4-8(9)5-7/h2-5H,9H2,1H3",C8H9NO,135.0684139
3534,2-Bromo-6-chloro-4-nitroaniline,99-29-6,DTXSID2059192,66832,2-Bromo-6-chloro-4-nitroaniline,GLUCALKKMFBJEB-UHFFFAOYSA-N,2-Bromo-6-chloro-4-nitroaniline,NC1=C(Br)C=C(C=C1Cl)[N+]([O-])=O,"InChI=1S/C6H4BrClN2O2/c7-4-1-3(10(11)12)2-5(8)6(4)9/h1-2H,9H2",C6H4BrClN2O2,249.914468
3535,"1-Amino-2,6-dichloro-4-nitrobenzene",99-30-9,DTXSID2020426,7430,Dichloran,BIXZHMJUSMUDOQ-UHFFFAOYSA-N,"2,6-Dichloro-4-nitroaniline",NC1=C(Cl)C=C(C=C1Cl)[N+]([O-])=O,"InChI=1S/C6H4Cl2N2O2/c7-4-1-3(10(11)12)2-5(8)6(4)9/h1-2H,9H2",C6H4Cl2N2O2,205.9649828
3536,dl-Carvone,99-49-0,DTXSID8047426,7439,dl-Carvone,ULDHMXUKGWMISQ-UHFFFAOYSA-N,2-Methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-one,CC(=C)C1CC=C(C)C(=O)C1,"InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9H,1,5-6H2,2-3H3",C10H14O,150.1044651
3537,"1,3-Diisopropylbenzene",99-62-7,DTXSID8026640,7450,"1,3-Diisopropylbenzene",UNEATYXSUBPPKP-UHFFFAOYSA-N,"1,3-Di(propan-2-yl)benzene",CC(C)C1=CC(=CC=C1)C(C)C,"InChI=1S/C12H18/c1-9(2)11-6-5-7-12(8-11)10(3)4/h5-10H,1-4H3",C12H18,162.1408506
3538,"1,3-Dinitrobenzene",99-65-0,DTXSID9024065,7452,"1,3-Dinitrobenzene",WDCYWAQPCXBPJA-UHFFFAOYSA-N,"1,3-Dinitrobenzene",[O-][N+](=O)C1=CC(=CC=C1)[N+]([O-])=O,InChI=1S/C6H4N2O4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4H,C6H4N2O4,168.0171066
3539,4-(Butan-2-yl)phenol,99-71-8,DTXSID7022332,7453,4-(Butan-2-yl)phenol,ZUTYZAFDFLLILI-UHFFFAOYSA-N,4-(Butan-2-yl)phenol,CCC(C)C1=CC=C(O)C=C1,"InChI=1S/C10H14O/c1-3-8(2)9-4-6-10(11)7-5-9/h4-8,11H,3H2,1-2H3",C10H14O,150.1044651
3540,Methylparaben,99-76-3,DTXSID4022529,7456,Methylparaben,LXCFILQKKLGQFO-UHFFFAOYSA-N,Methyl 4-hydroxybenzoate,COC(=O)C1=CC=C(O)C=C1,"InChI=1S/C8H8O3/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5,9H,1H3",C8H8O3,152.0473441
3541,gamma-Terpinene,99-85-4,DTXSID6041210,7461,gamma-Terpinene,YKFLAYDHMOASIY-UHFFFAOYSA-N,"1-Methyl-4-(propan-2-yl)cyclohexa-1,4-diene",CC(C)C1=CCC(C)=CC1,"InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,7-8H,5-6H2,1-3H3",C10H16,136.1252005
3542,alpha-Terpinene,99-86-5,DTXSID9041237,7462,alpha-Terpinene,YHQGMYUVUMAZJR-UHFFFAOYSA-N,"1-Methyl-4-(propan-2-yl)cyclohexa-1,3-diene",CC(C)C1=CC=C(C)CC1,"InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,6,8H,5,7H2,1-3H3",C10H16,136.1252005
3543,p-Cymene,99-87-6,DTXSID3026645,7463,p-Cymene,HFPZCAJZSCWRBC-UHFFFAOYSA-N,1-Methyl-4-(propan-2-yl)benzene,CC(C)C1=CC=C(C)C=C1,"InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3",C10H14,134.1095505
3544,4-Methylbenzoic acid,99-94-5,DTXSID6021618,7470,4-Methylbenzoic acid,LPNBBFKOUUSUDB-UHFFFAOYSA-N,4-Methylbenzoic acid,CC1=CC=C(C=C1)C(O)=O,"InChI=1S/C8H8O2/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H3,(H,9,10)",C8H8O2,136.0524295
3545,"4-{[4,6-Bis(octylsulfanyl)-1,3,5-triazin-2-yl]amino}-2,6-di-tert-butylphenol",991-84-4,DTXSID1052662,70431,"4-{[4,6-Bis(octylsulfanyl)-1,3,5-triazin-2-yl]amino}-2,6-di-tert-butylphenol",QRLSTWVLSWCGBT-UHFFFAOYSA-N,"4-{[4,6-Bis(octylsulfanyl)-1,3,5-triazin-2-yl]amino}-2,6-di-tert-butylphenol",CCCCCCCCSC1=NC(SCCCCCCCC)=NC(NC2=CC(=C(O)C(=C2)C(C)(C)C)C(C)(C)C)=N1,"InChI=1S/C33H56N4OS2/c1-9-11-13-15-17-19-21-39-30-35-29(36-31(37-30)40-22-20-18-16-14-12-10-2)34-25-23-26(32(3,4)5)28(38)27(24-25)33(6,7)8/h23-24,38H,9-22H2,1-8H3,(H,34,35,36,37)",C33H56N4OS2,588.3895548
3546,"1,1'-(Cyclobutane-1,1-diyl)dibenzene",99415-93-7,DTXSID50606879,20405527,"1,1'-(Cyclobutane-1,1-diyl)dibenzene",RMPAXPOFLJVREM-UHFFFAOYSA-N,"1,1'-(Cyclobutane-1,1-diyl)dibenzene",C1CC(C1)(C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C16H16/c1-3-8-14(9-4-1)16(12-7-13-16)15-10-5-2-6-11-15/h1-6,8-11H,7,12-13H2",C16H16,208.1252005
3547,"hexasiloxane, 1,1,3,3,5,5,7,7,9,9,11,11-dodecamethyl-",995-82-4,DTXSID80880645,553707,"hexasiloxane, 1,1,3,3,5,5,7,7,9,9,11,11-dodecamethyl-",HFKXCDXJZSSRJX-UHFFFAOYSA-N,"1,1,3,3,5,5,7,7,9,9,11,11-Dodecamethylhexasiloxane",C[SiH](C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[SiH](C)C,"InChI=1S/C12H38O5Si6/c1-18(2)13-20(5,6)15-22(9,10)17-23(11,12)16-21(7,8)14-19(3)4/h18-19H,1-12H3",C12H38O5Si6,430.1334835
3548,"2-Bromoallyl 2,4,6-tribromophenyl ether",99717-56-3,DTXSID00904130,13643667,"2-Bromoallyl 2,4,6-tribromophenyl ether",RLPZXGWCSHFKJI-UHFFFAOYSA-N,"1,3,5-Tribromo-2-[(2-bromoprop-2-en-1-yl)oxy]benzene",BrC(=C)COC1=C(Br)C=C(Br)C=C1Br,"InChI=1S/C9H6Br4O/c1-5(10)4-14-9-7(12)2-6(11)3-8(9)13/h2-3H,1,4H2",C9H6Br4O,445.715217
3549,tripropylsilane,998-29-8,DTXSID80870824,70459,tripropylsilane,ZHOVAWFVVBWEGQ-UHFFFAOYSA-N,Tripropylsilane,CCC[SiH](CCC)CCC,"InChI=1S/C9H22Si/c1-4-7-10(8-5-2)9-6-3/h10H,4-9H2,1-3H3",C9H22Si,158.1490772
3550,"Benzene, (5-iodopentyl)-",99858-37-4,DTXSID30340062,561241,"Benzene, (5-iodopentyl)-",QVQYOJLZAUEILK-UHFFFAOYSA-N,(5-Iodopentyl)benzene,ICCCCCC1=CC=CC=C1,"InChI=1S/C11H15I/c12-10-6-2-5-9-11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10H2",C11H15I,274.02185
3551,2-Hydroxypropyl acrylate,999-61-1,DTXSID0022143,61249,2-Hydroxypropyl acrylate,GWZMWHWAWHPNHN-UHFFFAOYSA-N,2-Hydroxypropyl prop-2-enoate,CC(O)COC(=O)C=C,"InChI=1S/C6H10O3/c1-3-6(8)9-4-5(2)7/h3,5,7H,1,4H2,2H3",C6H10O3,130.0629942
3552,Bromine,nan,,5360770,"Bromine, atomic",WKBOTKDWSSQWDR-UHFFFAOYSA-N,Bromine,[Br],InChI=1S/Br,Br,78.918338
3553,Boron,nan,,5462311,Boron,ZOXJGFHDIHLPTG-UHFFFAOYSA-N,Boron,[B],InChI=1S/B,B,11.009305
3554,Carbon,nan,,5462310,Carbon,OKTJSMMVPCPJKN-UHFFFAOYSA-N,Carbon,[C],InChI=1S/C,C,12
3555,Hydrogen,nan,,783,Hydrogen,UFHFLCQGNIYNRP-UHFFFAOYSA-N,,[H][H],InChI=1S/H2/h1H,H2,2.015650064
3556,Nitrogen,nan,,57370662,Atomic Nitrogen,QJGQUHMNIGDVPM-UHFFFAOYSA-N,Nitrogen,[N],InChI=1S/N,N,14.003074
3557,Oxygen,nan,,159832,Atomic oxygen,QVGXLLKOCUKJST-UHFFFAOYSA-N,Oxygen,[O],InChI=1S/O,O,15.99491462
3558,Sulfur,nan,,5362487,Sulfur,NINIDFKCEFEMDL-UHFFFAOYSA-N,Sulfur,[S],InChI=1S/S,S,31.97207117
3559,Chlor,nan,,312,Chloride,VEXZGXHMUGYJMC-UHFFFAOYSA-M,Chloride,[Cl-],InChI=1S/ClH/h1H/p-1,Cl,34.9694013
3561,Fluorine,nan,,5360525,"Fluorine, atomic",YCKRFDGAMUMZLT-UHFFFAOYSA-N,Fluorine,[F],InChI=1S/F,F,18.99840316
3562,adsorbable organic halides,nan,,,,,,,,,
3563,extractable organic halides,nan,,,,,,,,,
3564,Aluminium,nan,,5359268,Aluminum,XAGFODPZIPBFFR-UHFFFAOYSA-N,Aluminium,[Al],InChI=1S/Al,Al,26.9815385
3565,Antimony,nan,,5354495,Antimony,WATWJIUSRGPENY-UHFFFAOYSA-N,Antimony,[Sb],InChI=1S/Sb,Sb,120.90381
3566,Arsenic,nan,,5359596,Arsenic,RQNWIZPPADIBDY-UHFFFAOYSA-N,Arsenic,[As],InChI=1S/As,As,74.921595
3567,Barium,nan,,,Barium,MUBOSUMMMUSVEO-UHFFFAOYSA-N,Barium,[Ba],InChI=1S/Ba,Ba,137.905247
3568,Beryllium,nan,,,Beryllium,RWASOQSEFLDYLC-UHFFFAOYSA-N,Beryllium,[Be],InChI=1S/Be,Be,9.0121831
3569,Bismuth,nan,,9242,Bismuth,BPBOBPIKWGUSQG-UHFFFAOYSA-N,Bismuth,[Bi],InChI=1S/Bi,Bi,208.9804
3570,Cadmium,nan,,23973,Cadmium,BDOSMKKIYDKNTQ-UHFFFAOYSA-N,,[Cd],InChI=1S/Cd,Cd,113.903365
3571,Calcium,nan,,,Calcium,FAQLAUHZSGTTLN-UHFFFAOYSA-N,Calcium,[Ca],InChI=1S/Ca,Ca,39.9625909
3572,Cerium,nan,,23974,Cerium,GWXLDORMOJMVQZ-UHFFFAOYSA-N,Cerium,[Ce],InChI=1S/Ce,Ce,139.90544
3573,Chromium,nan,,23976,Chromium,VYZAMTAEIAYCRO-UHFFFAOYSA-N,Chromium,[Cr],InChI=1S/Cr,Cr,51.940506
3574,Chromium - hexavalent,nan,,,,,,,,,
3575,Cobalt,nan,,104730,Cobalt,GUTLYIVDDKVIGB-UHFFFAOYSA-N,Cobalt,[Co],InChI=1S/Co,Co,58.933194
3576,Copper,nan,,23978,Copper,RYGMFSIKBFXOCR-UHFFFAOYSA-N,Copper,[Cu],InChI=1S/Cu,Cu,62.929598
3577,Dysprosium,nan,,23912,Dysprosium,KBQHZAAAGSGFKK-UHFFFAOYSA-N,Dysprosium,[Dy],InChI=1S/Dy,Dy,163.92918
3578,Erbium,nan,,23980,Erbium,UYAHIZSMUZPPFV-UHFFFAOYSA-N,Erbium,[Er],InChI=1S/Er,Er,165.9303
3579,Gallium,nan,,5360835,Gallium,GYHNNYVSQQEPJS-UHFFFAOYSA-N,,[Ga],InChI=1S/Ga,Ga,68.925574
3580,Gold,nan,,23985,Gold,PCHJSUWPFVWCPO-UHFFFAOYSA-N,Gold,[Au],InChI=1S/Au,Au,196.966569
3581,Indium,nan,,5359967,Indium,APFVFJFRJDLVQX-UHFFFAOYSA-N,Indium,[In],InChI=1S/In,In,114.9038788
3582,Iron,nan,,23925,Iron,XEEYBQQBJWHFJM-UHFFFAOYSA-N,Iron,[Fe],InChI=1S/Fe,Fe,55.934936
3583,Lanthanum,nan,,23926,Lanthanum,FZLIPJUXYLNCLC-UHFFFAOYSA-N,Lanthanum,[La],InChI=1S/La,La,138.90636
3584,Lead,nan,,23927,Lead,FOSOXHMVHOGFCF-UHFFFAOYSA-N,Lead,[PbH2],InChI=1S/Pb.2H,Pb,207.976653
3585,Lithium,nan,,,Lithium,SIAPCJWMELPYOE-UHFFFAOYSA-N,Lithium,[Li],InChI=1S/Li,Li,7.01600344
3586,Magnesium,nan,,5462224,Magnesium,FYYHWMGAXLPEAU-UHFFFAOYSA-N,Magnesium,[Mg],InChI=1S/Mg,Mg,23.9850417
3587,Manganese,nan,,23930,Manganese,PWHULOQIROXLJO-UHFFFAOYSA-N,Manganese,[Mn],InChI=1S/Mn,Mn,54.938044
3588,Mercury,nan,,23931,Mercury,QSHDDOUJBYECFT-UHFFFAOYSA-N,Mercury,[Hg],InChI=1S/Hg,Hg,201.970643
3589,Molybdenium,nan,,,,,,,,,
3590,Neodymium,nan,,23934,Neodymium,QEFYFXOXNSNQGX-UHFFFAOYSA-N,Neodymium,[Nd],InChI=1S/Nd,Nd,141.90773
3591,Nickel,nan,,935,Nickel,PXHVJJICTQNCMI-UHFFFAOYSA-N,Nickel,[Ni],InChI=1S/Ni,Ni,57.935342
3592,Palladium,nan,,23938,Palladium,KDLHZDBZIXYQEI-UHFFFAOYSA-N,Palladium,[Pd],InChI=1S/Pd,Pd,105.90348
3593,Potassium,nan,,5462222,Potassium,ZLMJMSJWJFRBEC-UHFFFAOYSA-N,Potassium,[K],InChI=1S/K,K,38.96370649
3594,Praseodymium,nan,,23942,Praseodymium,PUDIUYLPXJFUGB-UHFFFAOYSA-N,Praseodymium,[Pr],InChI=1S/Pr,Pr,140.90766
3595,Rhodium,nan,,23948,Rhodium,MHOVAHRLVXNVSD-UHFFFAOYSA-N,Rhodium,[Rh],InChI=1S/Rh,Rh,102.9055
3596,Rubidium,nan,,105153,"Rubidium, ion (Rb1+)",NCCSSGKUIKYAJD-UHFFFAOYSA-N,Rubidium,[Rb+],InChI=1S/Rb/q+1,Rb,84.91124116
3597,Scandium,nan,,23952,Scandium,SIXSYDAISGFNSX-UHFFFAOYSA-N,Scandium,[Sc],InChI=1S/Sc,Sc,44.955908
3598,Selenium,nan,,6326970,Selenium,BUGBHKTXTAQXES-UHFFFAOYSA-N,Selenium,[Se],InChI=1S/Se,Se,79.916522
3599,Silicon,nan,,5461123,Silicon,XUIMIQQOPSSXEZ-UHFFFAOYSA-N,Silicon,[Si],InChI=1S/Si,Si,27.97692654
3600,Silver,nan,,23954,Silver,BQCADISMDOOEFD-UHFFFAOYSA-N,Silver,[Ag],InChI=1S/Ag,Ag,106.90509
3601,Sodium,nan,,,Sodium,MPMYQQHEHYDOCL-UHFFFAOYSA-N,Sodium,[Na],InChI=1S/Na,Na,22.98976928
3602,Strontium,nan,,,Strontium,KJNGJIPPQOFCSK-UHFFFAOYSA-N,Strontium,[Sr],InChI=1S/Sr,Sr,87.905613
3603,Tin,nan,,5352426,Tin,ATJFFYVFTNAWJD-UHFFFAOYSA-N,Tin,[Sn],InChI=1S/Sn,Sn,119.902202
3604,Titanium,nan,,23963,Titanium,RTAQQCXQSZGOHL-UHFFFAOYSA-N,Titaniumato,[Ti],InChI=1S/Ti,Ti,47.947942
3605,Vanadium,nan,,23990,Vanadium,LEONUFNNVUYDNQ-UHFFFAOYSA-N,Vanadium,[V],InChI=1S/V,V,50.943957
3606,Yttrium,nan,,23993,Yttrium,VWQVUPCCIRVNHF-UHFFFAOYSA-N,Yttrium,[Y],InChI=1S/Y,Y,88.90584
3607,Zinc,nan,,23994,Zinc,HCHKCACWOHOZIP-UHFFFAOYSA-N,Zinc,[Zn],InChI=1S/Zn,Zn,63.929142
3608,Zirconium,nan,,23995,Zirconium,QCWXUUIWCKQGHC-UHFFFAOYSA-N,Zirconium,[Zr],InChI=1S/Zr,Zr,89.9047
3609,Phosphor,nan,,5462309,Phosphorus,OAICVXFJPJFONN-UHFFFAOYSA-N,Phosphorus,[P],InChI=1S/P,P,30.973762