CAS1123-27-9
FormulaC8H14O2
SynonymHydroxycyclohexyl methyl ketone, Ethanone, 1-(1-hydroxycyclohexyl)-, 1-(1-Hydroxycyclohexyl) ethanone, 1-(1-Hydroxycyclohexyl) ethan-1-one
Molecular weight142.20
Fragrance
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CAS1129-47-1
FormulaC10H18O2
SynonymPropanoic acid, 2-methyl-, cyclohexyl ester, Cyclohexyl isobutyrate, Cyclohexyl-2-methylpropanoate, Propanoic acid, 2-methyl-, cyclohexyl ester
Molecular weight170.25
InChI1S/C10H18O2/c1-8(2)10(11)12-9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3
CAS1117-61-9
FormulaC10H20O
Synonym6-Octen-1-ol, 3,7-dimethyl-, (R)-, (R)-(+)-ß-Citronellol, (R)-3,7-dimethyloct-6-en-1-ol, (R)-beta-Citronellol, AI3-00204, D-Citronellol, EINECS 214-250-5, UNII-P01OUT964K, (R)-3,7-Dimethyloct-6-en-1-ol, 6-Octen-1-ol, 3,7-dimethyl-, (3R)-, 6-Octen-1-ol, 3,7-dimethyl-, (R)-, 6-Octen-1-ol, 3,7-dimethyl-, (theta)-, D-Dihydrogeraniol, (R)-()-b-Citronellol, (R)-3,7-Dimethyl-6-octen-1-ol, (R)-3,7-Dimethyloct-6-en-1-ol, 6-Octen-1-ol, 3,7-dimethyl- (R)-
Molecular weight156.27
SMILESOCC[C@@H](CC/C=C(/C)C)C
InChI1S/C10H20O/c1-9(2)5-4-6-10(3)7-8-11/h5,10-11H,4,6-8H2,1-3H3/t10-/m0/s1
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+
CAS111-47-7
FormulaC6H14S
SynonymPropyl sulfide, 4-Thiaheptane, Propane, 1,1'-thiobis-, Dipropyl sulphide, Dipropyl thioether, Propyl monosulfide, 1,1'-Thiobispropane, (n-C3H7)2S, n-Propyl sulfide, di-n-Propyl sulfide, Di-n-propyl thioether, NSC 78429, Sulfide, n-propyl-, 1,1'-Thiobispropane, 4-Thiaheptane, AI3-18787, CCRIS 3253, Di-n-propyl sulfide, Dipropyl sulfide, Dipropyl thioether, EINECS 203-873-8, NSC 78429, Propyl monosulfide, UNII-Q6J7GNX8F9, Dipropyl sulfide, Dipropyl sulphide, Propane, 1,1'-thiobis-, Propyl sulfide (8CI), Dipropyl sulfide
Molecular weight118.24
SMILESS(CCC)CCC
InChI1S/C6H14S/c1-3-5-7-6-4-2/h3-6H2,1-2H3
Melting Point-1.03E+02 ° C
Boiling Point142.9 ° C
Water solubility351 mg/L
Atmospheric OH Rate Constant2.00E-11 cm3/molecule-sec
Henry's Law Constant2.44E-03 atm-m3/mole
log P (octanol-water)2.880
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
CAS11028-42-5
FormulaC15H24
Synonym1,7-di-epi-a-Cedrene, Cedr-8(15)-ene, Cedrene <1,7-di-epi-a>, 1H-3a,7-Methanoazulene,octahydro-3,8,8-trimethyl-6-6methylene, Cedrene, Octahydro-3,8,8-trimethyl-6-methylene-1H-sa,7-methanoazulene
Molecular weight204.35
InChI1S/C15H24/c1-10-7-8-15-9-12(10)14(3,4)13(15)6-5-11(15)2/h11-13H,1,5-9H2,2-4H3
CAS110-13-4
FormulaC6H10O2
SynonymAcetonyl acetone, hexane-2,5-dione, a,ß-Diacetylethane, Diacetonyl, 1,2-Diacetylethane, 2,5-Hexadione, Hexanedione-(2,5), Acetone, acetonyl-, HDO, 2,5-Diketohexane, CH3COCH2CH2COCH3, 2,5-Dioxohexane, NSC 7621, 2,5-Hexanedione, Acetone, acetonyl-, Acetonyl acetone, Diacetonyl, 1,2-Diacetylethane, a,b-Diacetylethane 2,5-Diketohexane
Molecular weight114.14
InChI1S/C6H10O2/c1-5(7)3-4-6(2)8/h3-4H2,1-2H3
Water solubility1.79E+05 mg/L
Melting Point-5.50E+00 ° C
log P (octanol-water)-0.27
Atmospheric OH Rate Constant7.13E-12 cm3/molecule-sec
Vapor Pressure2.930 mm Hg
Boiling Point194 ° C
Henry's Law Constant4.43E-08 atm-m3/mole
Water solubilitymiscible
Refractive Index1.425
Vapor Pressure0.43 mm Hg ( 20 °C)
Merck14,71
StabilityStable. Incompatible with strong bases, strong reducing agents, strong oxidizing agents. Flammable.
Melting Point-6--5 °C
Density0.973 g/mL at 25 °C
Flash Point174 °F
Boiling Point191 °C
BRN Number506525
CAS109-29-5
FormulaC16H30O2
Synonym16-Hexadecanolide, Hexadecano-16-lactone, 16-hexadecanolactone, Oxacycloheptadecan-2-one, Dihydroambrettolide, Hexadecanoic acid, 16-hydroxy-, ?-lactone, Hexadecanolide, Juniperic acid lactone, 1,16-Hexadecanolide, 1,16-Hexadecanolactone, 16-Hydroxyhexadecanoic acid lactone, NSC 33546, Oxa-2-cycloheptadecanone, Hexadecalactone, Cyclohexadeanolide, Dihydroambrettolide, 1,16-Hexadecanolactone, Hexadecanolide, 16-Hexadecanolide 16-Hydroxyhexadecanoic acid lactone, Juniperic acid lactone, Oxacycloheptadecan-2-one
Molecular weight254.41
InChI1S/C16H30O2/c17-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-18-16/h1-15H2
CAS108-84-9
FormulaC8H16O2
SynonymHSDB 1155, 4-Methylpent-2-yl acetate, AI3-11271, sek.Isohexylester kyseliny octove [Czech], sek.Isohexylester kyseliny octove, Acetic acid, 1,3-dimethylbutyl ester, 4-Methyl-2-pentanol, acetate, 4-Methyl-2-pentyl acetate, Methylisoamyl acetate, 1,3-Dimethylbutyl acetate, Acetic acid-1,3-dimethylbutyl ester, MAAc, 4-02-00-00161 (Beilstein Handbook Reference), UNII-IP9ZB28RWN, 2-Pentanol, 4-methyl-, acetate, 1,3-Dimethylbutylester kyseliny octove, 4-Methyl-2-pentyl acetate 2-Pentanol, 4-methyl-, acetate, Methyl amyl acetate, Dimethylbutyl acetate, 1,3-Dimethylbutylester kyseliny octove [Czech], s-Hexyl acetate, NSC 567, sec-Hexyl acetate, 2-Pentanol, 4-methyl-, 2-acetate, Methylisobutylcarbinyl acetate, Methylisobutyl carbinol acetate, 4-Methyl-2-pentanol acetate, Superlist Names Methyl amyl acetate, 4-Methyl-2-amyl acetate, BRN 1749848, Acetic acid, 4-methylpent-2-yl ester, UN1233, UN 1233, EINECS 203-621-7, Methylamyl acetate [UN1233] [Flammable liquid], Methylamyl acetate, 1,3-Dimethylbutyl ethanoate, Methylisobutylcarbinol acetate, MAAC Methylisoamyl acetate
log P (octanol-water)2.680
Boiling Point147.5 ° C
Vapor Pressure4 mm Hg
Molecular weight144.21
SMILESC([C@@H](OC(C)=O)C)C(C)C
InChI1S/C8H16O2/c1-6(2)5-7(3)10-8(4)9/h6-7H,5H2,1-4H3
Water solubility1300 mg/L
Henry's Law Constant5.84E-04 atm-m3/mole
Melting Point-6.40E+01 ° C
Atmospheric OH Rate Constant8.16E-12 cm3/molecule-sec
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
CAS10482-77-6
FormulaC17H24O2
Synonym6-Octen-1-ol, 3,7-dimethyl-, 1-benzoate, 3,7-Dimethyl-6-octenyl benzoate, 6-Octen-1-ol, 3,7-dimethyl-, benzoate, Citronellyl benzoate, 3,7-Dimethyloct-6-en-1-yl benzoate, EINECS 233-988-9
Molecular weight260.37
SMILESO=C(OCC[C@@H](CC\C=C(\C)C)C)c1ccccc1
InChI1S/C17H24O2/c1-14(2)8-7-9-15(3)12-13-19-17(18)16-10-5-4-6-11-16/h4-6,8,10-11,15H,7,9,12-13H2,1-3H3
CAS10482-55-0
FormulaC10H18O2
SynonymEINECS 233-985-2, 2-Butenoic acid, 2-methyl-, 3-methylbutyl ester, (2Z)-, Isopentyl 2-methylcrotonate (Z)-, Isopentyl 2-methylcrotonate, 2-Butenoic acid, 2-methyl-, 3-methylbutyl ester, (Z)-, Isoamyl tiglate, Isoamyl angelate
Molecular weight170.25
SMILESO=C(OCCC(C)C)\C(=C/C)C
CAS10402-52-5
FormulaC11H14O2
Synonymb-Methylphenethyl acetate, Hydrotropic acetate, Benzeneethanol, beta-methyl-, acetate, Phenethyl alcohol, b-methyl-, acetate, 2-Phenylpropyl acetate, Benzeneethanol, ß-methyl-, acetate, beta-Methylphenylethyl acetate, Hydratropic acetate, Hydratropyl acetate, ß-Methylphenylethyl acetate, NSC 190972, ß-phenylpropyl acetate, ß-Methylphenethyl acetate, EINECS 233-871-2, 1-Methyl phenethyl acetate, Phenethyl alcohol, ß-methyl-, acetate, Benzeneethanol, beta-methyl-, 1-acetate, AI3-35577, Phenethyl alcohol, beta-methyl-, acetate
Molecular weight178.23
SMILESc1([C@@H](COC(C)=O)C)ccccc1
InChI1S/C11H14O2/c1-9(8-13-10(2)12)11-6-4-3-5-7-11/h3-7,9H,8H2,1-2H3
CAS10402-33-2
FormulaC18H18O3
SynonymEINECS 233-868-6, NSC 133460, 4-Allyl-2-methoxyphenyl phenylacetate, 4-(2-Propenyl)-2-methoxyphenyl phenylacetate, Benzeneacetic acid, 2-methoxy-4-(2-propenyl)phenyl ester, UNII-T6KBF67K9F, (2-Methoxy-4-prop-2-enyl phenyl) 2-phenyl acetate, Eugenyl phenylacetate, Eugenol phenylacetate, AI3-28805, Benzene acetic acid 2-methoxy-4-(2-propenyl) phenyl ester, Acetic acid, phenyl-, 4-allyl-2-methoxyphenyl ester, Benzeneacetic acid, 2-methoxy-4-(2-propen-1-yl)phenyl ester
Molecular weight282.34
SMILESc1(c(cc(CC=C)cc1)OC)OC(Cc1ccccc1)=O
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+
CAS103-29-7
FormulaC14H14
SynonymEINECS 203-096-4, NSC 30686, Dibenzyl, Dibenzil, Benzene, (phenylethyl)-, 1,2-Diphenylethane, s, 1,2-Diphenylethane(sym), Diphenylethylene, Dihydrostilbene, Bibenzyl, UNII-007C07V77Z, Benzene, 1,1-(1,2-ethanediyl) bis-, 1,2-Diphenylethane, sym-Diphenylethane, Benzene, 1,1'-(1,2-ethanediyl)bis-, s-Diphenylethane, AI3-06161, Dihydrostilbene 1,2-Diphenylethane, Ethane, 1,2-diphenyl-
Molecular weight182.26
InChI1S/C14H14/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14/h1-10H,11-12H2
Atmospheric OH Rate Constant1.20E-11 cm3/molecule-sec
Boiling Point284 ° C
Melting Point52.5 ° C
Water solubility4.3 mg/L
log P (octanol-water)4.79
Henry's Law Constant6.37E-04 atm-m3/mole
SMILESc1(CCc2ccccc2)ccccc1
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
CAS10235-63-9
FormulaC12H20O2
Synonym1-methyl-4-(1-methylethylidene)cyclohexyl acetate, Cyclohexanol, 1-methyl-4-(1-methylethylidene)-, acetate, p-Menth-4(8)-en-1-ol, acetate, 1-Acetoxy-p-menth-4(8)-ene, 1-Methyl-4-(propan-2-ylidene)cyclohexyl acetate, ?-Terpineol acetate, g-Terpinyl acetate, ?-Terpenyl acetate, UNII-9W5WSA0D5Q, p-Menth-4-en-1-yl acetate, Cyclohexanol, 1-methyl-4-(1-methylethylidene)-, 1-acetate, EINECS 233-564-3
Molecular weight196.29
SMILESO=C(OC1(CC\C(=C(/C)C)CC1)C)C
InChI1S/C12H20O2/c1-9(2)11-5-7-12(4,8-6-11)14-10(3)13/h5-8H2,1-4H3
CAS10143-32-5
FormulaC8H18O3
SynonymDipropylene glycol ethyl ether, 1-(2-Ethoxypropoxy) propan-2-ol
Molecular weight162.23
SMILESO[C@@H](COC[C@@H](OCC)C)C
InChI1S/C8H18O3/c1-4-11-8(3)6-10-5-7(2)9/h7-9H,4-6H2,1-3H3
CAS1011-12-7
FormulaC12H18O
Synonym2-Cyclohexylidenecyclohexanone, Dianon, Bicyclohexyliden-2-one, Cyclohexanone, 2-cyclohexylidene-
Molecular weight178.27
InChI1S/C12H18O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H2
CAS593-45-3
FormulaC18H38
Synonymn-Octadecane, Octadecane, Octadecan
Molecular weight254.49
InChI1S/C18H38/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h3-18H2,1-2H3
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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