CAS996-31-6
FormulaCH3CHOHCOOK
SynonymPotassium lactate, Lactic acid, monopotassium salt, Monopotassium 2-hydroxypropanoate acid, Potassium a-hydroxypropionate, Potassium-L-2-hydroxypropionate, Propanoic acid, 2-hydroxy-, monopotassium salt
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CAS2379-55-7
FormulaC10H10N2
Synonym2,3-Dimethylquinoxaline, 2,3-Dimethylquinoxaline
Molecular weight158.20
InChI1S/C10H10N2/c1-7-8(2)12-10-6-4-3-5-9(10)11-7/h3-6H,1-2H3
CAS141-06-0
FormulaC8H16O2
SynonymPropyl valerate, Pentanoic acid, propyl ester, n-propyl pentanoate, Valeric acid, propyl ester, n-Propyl n-valerate, 1-propylpentanoate, n-propyl pentanoate, Pentanoicacid,propylester, pentanoicacidpropylester, Propyln-valerate, Valeric acid, propyl ester, N-VALERIC ACID PROPYL ESTER, N-PROPYL N-VALERATE, Propyl valerate, Pentanoic acid, propyl ester, Propyl pentanoate, n-Propyl pentanoate, n-Propyl n-valerate, Valeric acid, propyl ester
Molecular weight144.21
EINECS205-452-4
InChI1S/C8H16O2/c1-3-5-6-8(9)10-7-4-2/h3-7H2,1-2H3
log P (octanol-water)2.830
Atmospheric OH Rate Constant6.24E-12 cm3/molecule-sec
Melting Point-7.07E+01 ° C
Boiling Point167.5 ° C
CAS1406-57-1
FormulaUnspecified
SynonymStearoptenes
EINECS215-799-3
Molecular weight839.96
EINECS258-887-7
SMILESC1([C@H]2[C@@]([C@@]3(C([C@H]4[C@@](CC[C@@](C4)(C(O)=O)C)(C)CC3)=C1)C)(CC[C@@H]1[C@@]2(CC[C@@H](C1(C)C)O[C@@H]1[C@H](O[C@@H]2O[C@@H]([C@@H](O)[C@@H]([C@H]2O)O)C(O)=O)[C@H]([C@H](O)[C@H](O1)C(O)=O)O)C)C)=O.N
CAS13794-15-5
FormulaC10H12O4
SynonymFEMA 3773, SODIUM 2-(4-METHOXYPHENOXY)PROPIONATE, Propanoic acid, 2-(4-methoxyphenoxy)-, SODIUM2-(4-METHOXYPHENOXY)PROPANOATE, 2-(4-METHOXYPHENOXY)PROPIONIC ACID SODIUM SALT, Lactisol, Sweetness inhibitor, Cover sweet powder (inhibiting sweetener), SODIUM 2-(4-METHOXYPHENOXY)PROPIONATE, 2-(4-Methoxyphenoxy)propanoic acid, 2-(p-Methoxyphenoxy)propionic acid, HPMP, Lactisol, Lactisole, Lactisole [MI], Lactisole, (+/-)-, NSC-352144, PMP, Propanoic acid, 2-(4-methoxyphenoxy)-, UNII-K573UZ6O8U, 2-(4-Methoxyphenoxy) propionic acid, Lactisol
Molecular weight196.20
SMILESCC(C(=O)O)Oc1ccc(cc1)OC
CAS13552-80-2
FormulaC36H68O6
Synonymglyceryltriundecanoate,triundecanoin, n-trihendecanoin, trihendecanoin, tri-undecanoi, triundecylin, undecanoicacid,1,2,3-propanetriylester, AKOMED C, 1,2,3-TRIUNDECANOYLGLYCEROL, Triundecanoin, Glycerol triundecanoate, Glyceryl triundecanoate, Undecanoic acid, 1,2,3-propanetriyl ester
Molecular weight596.92
EINECS236-935-8
CAS134-28-1
FormulaC17H28O2
SynonymGuaiyl acetate, Guaijol, acetate, 2-((3S,5R,8S)-3,8-Dimethyl-1,2,3,4,5,6,7,8-octahydroazulen-5-yl)propan-2-yl acetate, 5-Azulenemethanol, 1,2,3,4,5,6,7,8-octahydro-a,a,3,8-tetramethyl-, acetate, [3S-(3a,5a,8a)]-, 5-Azulenemethanol, 1,2,3,4,5a,6,7,8-octahydro-a,a,3ß,8ß-tetramethyl-, acetate, Guai-1(5)-en-11-ol, acetate, Guaiac acetate, 3,8-Dimethyl-5-alpha-hydroxy-deltadimethyl9-octa hydroazulene acetate, 3,8-Dimethyl-5-alpha-hydroxy-delta^9-octa hydroazulene acetate, 3,8-Dimethyl-5-alpha-hydroxy-delta9-octa hydroazulene acetate, 1-(3,8-Dimethyl-1,2,3,4,5,6,7,8-octahydro-5-azulenyl)-1-methylethyl acetate, 1-methyl-1-((3S,8S)-1,2,3,4,5,6,7,8-octahydro-3,8-dimethylazulen-5-yl)ethyl acetate, Guaiol acetate, 1,4-Dimethyl-7-(a-hydroxyisopropyl)-D9,10-octahydroazulene acetate, Guaiacwood acetate, Guaiyl acetate
Molecular weight264.40
InChI1S/C17H28O2/c1-11-6-8-14(17(4,5)19-13(3)18)10-16-12(2)7-9-15(11)16/h11-12,14H,6-10H2,1-5H3/t11-,12-,14+/m0/s1
CAS1323-75-7
FormulaC23H30O2
SynonymSantalyl phenylacetate, Phenyl acetic acid santalyl ester, a-Santalyl phenyl acetate, b-Santalyl phenyl acetate, Santalyl a-toluate
Molecular weight338.49
SMILESC\C(=C/CCC1(C)C2CCC(C2)C1=C)\COC(=O)Cc3ccccc3
CAS130-95-0
FormulaC20H24N2O2
Synonymchinine, Cinchonan-9-ol, 6'-methoxy-, (8a,9R)-, (-)-Quinine, 6-Methoxycinchonine, 2-Quinuclidinemethanol, a-(6-methoxy-4-quinolyl)-5-vinyl-, Chinin, a-(6-Methoxy-4-quinolyl)-5-vinyl-2-quinuclidinemethanol, 6'-Methoxycinchonine, Cinchonan-9-ol, 6'-methoxy-, (8alpha,9R)-, (8S,9R)-Quinine, 6'-Methoxycinchonidine, (8S,9R)-6'-Methoxycinchonan-9-ol, NSC 192949, Quinine, Cinchonan-9-ol, 6-mnethoxy-, 6-Methoxycinchonan-9-ol, (8-a,9R)-6-Methoxycinchonan-9-ol, 6-Methoxycinchonine, a-(6-Methoxy-4-quinoyl)-5-vinyl-2-quinclidinemethanol (-)-Quinine
Molecular weight324.42
InChI1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3
CAS128446-36-6
FormulaUnspecified
SynonymMethyl-b-cyclodextrin, Cyclomaltoheptaose, methyl ether, b-Methylcycloamylose, Methyl cyclodextrin (INCI)
Molecular weight1,331.36
SMILESCOCC1C2C(C(C(O1)OC3C(OC(C(C3O)OC)OC4C(OC(C(C4O)OC)OC5C(OC(C(C5O)OC)OC6C(OC(C(C6O)OC)OC7C(OC(C(C7O)OC)OC8C(OC(O2)C(C8O)OC)COC)COC)COC)COC)COC)COC)OC)O
CAS120-80-9
FormulaC6H6O2
SynonymPyrocatechol, o-Benzenediol, o-Dihydroxybenzene, o-Dioxybenzene, o-Hydroxyphenol, o-Phenylenediol, c.i. Oxidation base 26, c.i. 76500, Catechol, Catechol (phenol), Durafur developer c, Fouramine pch, Fourrine 68, Oxyphenic acid, Pelagol grey c, Phthalhydroquinone, Pyrocatechin, Pyrocatechine, 1,2-Dihydroxybenzene, 2-Hydroxyphenol, o-Hydroquinone, Benzene, o-dihydroxy-, NCI-C55856, o-Diphenol, Katechol, Pyrokatechin, Pyrokatechol, Kachin, 1,2-Benzenediol (pyrocatechol), o-catecol, 2H-1-Benzopyran-3,5,7-triol, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-,(2R-trans)-, NSC 1573, 1,2-Benzenediol, 1,2-Dihydroxybenzene, 2-Hydroxyphenol, 4-06-00-05557 (Beilstein Handbook Reference), AI3-03995, Benzene, o-dihydroxy-, BRN 0471401, C.I. 76500, C.I. Oxidation Base 26, Catechin (phenol), Catechol, Catechol (phenol), CCRIS 741, CI 76500, CI Oxidation Base 26, Durafur developer C, EC 204-427-5, EINECS 204-427-5, Fouramine PCH, Fourrine 68, HSDB 1436, Katechol, Katechol [Czech], NCI-C55856, NSC 1573, o-Benzenediol, o-Dihydroxybenzene, o-Dioxybenzene, o-Diphenol, o-Hydroquinone, o-Hydroxyphenol, o-Phenylenediol, ortho-Benzenediol, ortho-Dihydroxybenzene, ortho-Dioxybenzene, ortho-Hydroquinone, ortho-Hydroxyphenol, ortho-Phenylenediol, Oxyphenic acid, Pelagol Grey C, Phthalhydroquinone, Pyrocatechin, Pyrocatechine, Pyrocatechinic acid, Pyrocatechol, Pyrocatechuic acid, Pyrokatechin, Pyrokatechin [Czech], Pyrokatechol, Pyrokatechol [Czech], UNII-LF3AJ089DQ, 1,2-Benzenediol, Catechol, Pyrocatechol, Superlist Names 1,2-Benzenediol, Catechol, Pyrocatechol, Pyrocatechol, 1,2-Benzenediol, o-Benzenediol, Catechol, CI 76500, 1,2-Dihydroxybenzene o-Dihydroxybenzene, o-Dioxybenzene, o-Diphenol, o-Hydroquinone, 2-Hydroxyphenol o-Hydroxyphenol, Oxyphenic acid, o-Phenylenediol, Pyrocatechin, Pyrocatechinic acid Pyrocatechuic acid
Molecular weight110.11
SMILESc1(c(cccc1)O)O
InChI1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H
Boiling Point245 ° C
Melting Point105 ° C
Atmospheric OH Rate Constant1.04E-10 cm3/molecule-sec
Henry's Law Constant3.14E-09 atm-m3/mole
pKa Dissociation Constant9.45
log P (octanol-water)0.88
Water solubility4.61E+05 mg/L
CAS1113-21-9
FormulaC20H34O
Synonym(E,E)-Geranyl linalool, 1,6,10,14-Hexadecatetraen-3-ol, 3,7,11,15-tetramethyl-, (E,E)-, Geranyllinalol, Geranyl linallol, Linalool, geranyl-, (E,E)-3,7,11,15-tetramethylhexadeca-1,6,10,14-tetraen-3-ol, Geranyl linalool, Geranylinalool, 1,6,10,14-Hexadecatetraen-3-ol, 3,7,11,15-tetramethyl-, (E,E)-, 3,7,11,15-Tetramethyl-1,6,10,14-hexadecatetraene-3-ol, (E,E)-3,7,11,15-Tetramethyl-1,6,10,14-hexadecatetraen-3-ol
Molecular weight290.48
InChI1S/C20H34O/c1-7-20(6,21)16-10-15-19(5)14-9-13-18(4)12-8-11-17(2)3/h7,11,13,15,21H,1,8-10,12,14,16H2,2-6H3/b18-13+,19-15+
CAS11050-62-7
FormulaC11H16O
SynonymIsojasmone, Hexyl cyclopentenone, 2-Hexyl cyclopent-2-enone
Molecular weight164.25
SMILESC1(=C(C(=O)CC1)C)C\C=C\CC
CAS4525-33-1
Formula(CH3OCO)2O
SynonymDimethyl dicarbonate, Dimethyl pyrocarbonate, DMDC, Pyrocarbonic acid dimethyl ester
CAS71-43-2
FormulaC6H6
SynonymPyrobenzol, Bicarburet of hydrogen Carbon oil, Benzene, Benzine, Mineral naphtha, NCI-C55276, NSC 67315, Phenyl hydride, Phene, Benzeen, Benzol, Fenzen, 1,3,5-Cyclohexatriene, Motor benzol, Rcra waste number U019, Benzolo, UN 1114, Benzen, Motor benzol Nitration benzene, Benzole, Cyclohexatriene, Pyrobenzole, [6]Annulene, Bicarburet of hydrogen, Benzolene, Carbon oil, Benzin, Annulene, Coal naphtha
Molecular weight78.11
InChI1S/C6H6/c1-2-4-6-5-3-1/h1-6H
CAS109-25-1
FormulaC12H24O2
SynonymIsopentyl heptanoate, iso-Amyl n-heptanoate, 3-methylbutyl heptanoate, Isoamyl heptanoate, 3-Methylbutyl heptanoate
Molecular weight200.32
InChI1S/C12H24O2/c1-4-5-6-7-8-12(13)14-10-9-11(2)3/h11H,4-10H2,1-3H3
CAS1074-95-9
FormulaC10H18O
Synonym()-Menthone, DL-Menthone, DL-p-Menthan-3-one
Molecular weight154.25
SMILESC1([C@@H](CC[C@@H](C1)C)C(C)C)=O
Atmospheric OH Rate Constant2.63E-11 cm3/molecule-sec
Henry's Law Constant1.59E-04 atm-m3/mole
log P (octanol-water)2.870
Water solubility688 mg/L
Vapor Pressure0.278 mm Hg
CAS105-45-3
FormulaC5H8O3
SynonymMethyl 3-oxobutanoate, Acetoacetic acid methyl ester, Methyl acetylacetonate Methyl 3-oxobutanoate, MAA, Acetoacetic methyl ester, Methylester kyseliny acetoctove, Methyl 3-oxobutyrate, Methyl acetoacetate, 3-Oxobutanoic acid methyl ester, Methyl acetylacetate, Methyl acetylacetonate, Acetoacetic acid, methyl ester, Butanoic acid, 3-oxo-, methyl ester, 1-Methoxybutane-1,3-dione
Molecular weight116.12
InChI1S/C5H8O3/c1-4(6)3-5(7)8-2/h3H2,1-2H3
CAS10361-39-4
FormulaC12H16O2
SynonymPentanoic acid, phenylmethyl ester, AI3-02946, Valeric acid benzyl ester, Phenylmethyl valerate, Benzyl pentanoate, Benzyl valerianate, EINECS 233-789-7, Benzyl n-valerate, Valeric acid, benzyl ester, UNII-0195831F8E, Benzyanyl, Phenylmethyl (benzyl) valerate, Phenylmethyl pentanoate, Benzyl valerate
Molecular weight192.25
SMILESO=C(OCc1ccccc1)CCCC
InChI1S/C12H16O2/c1-2-3-9-12(13)14-10-11-7-5-4-6-8-11/h4-8H,2-3,9-10H2,1H3
CAS10352-87-1
FormulaC7H12O2
SynonymEINECS 233-768-2, Propyl 2-butenoate, Propyl crotonate, (E)-2-Butenoic acid propyl ester, AI3-06127, 2-Butenoic acid, propyl ester, Crotonic acid, propyl ester, 2-Butenoic acid propyl ester, Propyl (2E)-2-butenoate
Molecular weight128.17
SMILESCCCOC(\C=C\C)=O
InChI1S/C7H12O2/c1-3-5-7(8)9-6-4-2/h3,5H,4,6H2,1-2H3/b5-3+
CAS10276-85-4
FormulaC15H22O2
SynonymOctanoic acid, phenylmethyl ester, Benzyl n-octanate, Benzyl caprylate, Octanoic acid, benzyl ester, Benzyl octanoate, Benzyl n-octanoate
Molecular weight234.33
InChI1S/C15H22O2/c1-2-3-4-5-9-12-15(16)17-13-14-10-7-6-8-11-14/h6-8,10-11H,2-5,9,12-13H2,1H3
CAS102-22-7
FormulaC18H24O2
SynonymBenzeneacetic acid, 3,7-dimethyl-2,6-octadienyl ester, (E)-, Phenylacetic acid, geranyl ester, trans-3,7-Dimethyl-2,6-octadien-1-yl phenylacetate Geranyl a-toluate, 3,7-Dimethyl-2,6-octadien-1-yl phenylacetate, Geranyl phenylacetate, Geranyl a-toluate, trans-3,7-Dimethyl-2,6-octadienyl phenylacetate, Acetic acid, phenyl-, 3,7-dimethyl-2,6-octadienyl ester, (E)-, Benzeneacetic acid, 3,7-dimethyl-2,6-octadienylester, (E)-, (E)-3,7-Dimethyl-2,6-octadienyl phenylacetate
Molecular weight272.38
SMILESc1(CC(OC\C=C(\CC\C=C(\C)C)C)=O)ccccc1
InChI1S/C18H24O2/c1-15(2)8-7-9-16(3)12-13-20-18(19)14-17-10-5-4-6-11-17/h4-6,8,10-12H,7,9,13-14H2,1-3H3/b16-12+
CAS100-71-0
FormulaC7H9N
Synonyma-Ethylpyridine, 2-Ethylpyridine, Pyridine, 2-ethyl-
Molecular weight107.15
InChI1S/C7H9N/c1-2-7-5-3-4-6-8-7/h3-6H,2H2,1H3
CAS2346-00-1
FormulaC4H7NS
Synonym2-Methyldihydrothiazole, 4,5-dihydro-2-methyl-thiazol, Thiazole, 4,5-dihydro-2-methyl-, 2-Methyl-2-thiazoline, 4,5-dihydro-2-methylthiazole, 2-Methyl-4,5-dihydro-1,3-thiazole, 2-methyl-2-thiazolidine, 2-Methyl-d2-thiazoline, 2-methyl-2-thiazolin, 2-Thiazoline, 2-methyl-, 2-Methylthiazoline, 2-Methyl-delta2-thiazoline
Molecular weight101.17
EINECS219-071-6
InChI1S/C4H7NS/c1-4-5-2-3-6-4/h2-3H2,1H3
Storage Temperature2-8°C
Refractive Index1.520
Density1.067 g/mL at 25 °C
Boiling Point144.0-145.0 °C
Flash Point99 °F
BRN Number104274
Melting Point-101.0 °C
CAS5452-75-5
FormulaC10H18O2
SynonymETHYL CYCLOHEXANEACETATE, Cyclohexaneacetic Acid Ethyl EsterEthyl CyclohexaneacetateCyclohexylacetic Acid Ethyl Ester, Cyclohexylacetic acid ethyl ester, CYCLOHEXANEACETIC ACID ETHYL ESTER, Cyclohexane ethyl acetate, Cyclohexaneacetic acid, ethyl ester, ETHYL CYCLOHEXYLACETATE, Ethyl cyclohexylacetate, 98+% 50GR, Ethyl 2-cyclohexylacetate, ETHYL CYCLOHEXYLACETATE, 98+%
Molecular weight170.25
EINECS226-695-2
InChI1S/C10H18O2/c1-2-12-10(11)8-9-6-4-3-5-7-9/h9H,2-8H2,1H3
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