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Formula

3-PHENYLBUTYRALDEHYDE

CAS16251-77-7

FormulaC10H12O

SynonymPHENYLBUTYRALDEHYDE(3-), 3-Methyl-3-phenylpropanal, 3-Phenylbutanal, .beta.-methyl-Benzenepropanal, Benzenepropanal, beta-methyl-, 3-PHENYLBUTYRALDEHYDE, Benzenepropanal, b-methyl-, 3-PHENYL BUTANAL, Benzenepropanal,ßmethyl-, UNII-1B5MVX2XGA, Benzenepropanal,ß-methyl-, EC 240-362-9, Hyacinth butanal, Trifernal, EINECS 240-362-9, (R,S)-3-Phenyl-butyraldehyde

Molecular weight148.20

EINECS240-362-9

SMILESO=CC[C@@H](c1ccccc1)C

4-METHYL-4-PHENYL-2-PENTANONE

CAS7403-42-1

FormulaC12H16O

Synonym4-Phenyl-4-methylpentan-2-one, 4-methyl-4-phenyl-2-pentanon, Methyl 2-methyl-2-phenyl propyl ketone, 4-METHYL-4-PHENYLPENTAN-2-ONE, 4-methyl-4-phenyl-2-Pentanone, AKOS BC-0848, Vetikone, 4,4-Dimethyl-4-phenyl-2-butanone, 2-Pentanone, 4-methyl-4-phenyl-

Molecular weight176.25

EINECS231-007-9

4-ETHYLACETOPHENONE

CAS937-30-4

FormulaC10H12O

Synonym1-(4-ethylphenyl)-ethanon, p-Ethylacetophenone p-Ethylphenyl methyl ketone, p-Ethylphenyl methyl ketone, 4-ETHYL-1-ACETYLBENZENE, ASISCHEM D29258, AKOS BBS-00004394, 4-ETHYLACETOPHENONE, 1-(4-ETHYL-PHENYL)ETHANONE, Acetophenone, 4'-ethyl-, 1-(4-ethylphenyl)ethanone, Acetophenone, 4-ethyl-, p-Acetylethylbenzene, Ethanone, 1-(4-ethylphenyl)-, 4'-ETHYLACETOPHENONE

Molecular weight148.20

EINECS213-326-5

InChI1S/C10H12O/c1-3-9-4-6-10(7-5-9)8(2)11/h4-7H,3H2,1-2H3

Density0.993 g/mL at 25 °C

Water solubilityNot miscible or difficult to mix in water. Soluble in alcohol.

Boiling Point125 °C20 mm Hg

Flash Point195 °F

Refractive Index1.5293

Melting Point-20.6 °C

BRN Number1906029

Melting Point-20.6 °C

4-ETHYL-alpha,alpha-DIMETHYL-BENZENEPROPA NENITRILE

CAS134123-93-6

FormulaC13H17N

Synonym3-(4-Ethyl phenyl)-2,2-dimethylpropanenitrile, Floral nitrile, 4- Ethyl-a,a-dimethyl benzene propane nitrile

Molecular weight187.28

SMILESc1(ccc(cc1)CC)CC(C#N)(C)C

3-HEPTENYL ISOBUTYRATE

CAS67801-45-0

FormulaC11H20O2

Synonym3-Heptenyl isobutyrate, hept-3-enyl isobutyrate, 2-Methylpropionic acid 3-heptenyl ester, Einecs 267-166-6, Propanoic acid,2-methyl-,3-heptenyl ester, Propanoic acid, 2-methyl-, 3-heptenyl ester, Propanoic acid, 2-methyl-, 3-hepten-1-yl ester, trans-3-Heptenyl2-methylpropanoate, trans 3 Heptenyl 2 methyl propionate, 2-methyl-propanoic aci 3-heptenyl ester, Hept-3-enyl 3-methylpropanoate

Molecular weight184.28

EINECS267-166-6

3-ETHYLHEXAHYDRO-3H-BENZOFURAN-2-ONE

CAS54491-17-7

FormulaC10H16O2

Synonym2(3H)-Benzofuranone, 3-ethylhexahydro-, Einecs 259-185-3, 3-Ethylhexahydro-2(3H)-benzofuranone, 3-Ethylhexahydrobenzofuran-2(3H)-one, 3-ethylhexahydro-3H-benzofuran-2-one, 3-ethylhexahydro-2(3h)-benzofuranon

Molecular weight168.23

EINECS259-185-3

3-ETHYLPHENOL

CAS620-17-7

FormulaC8H10O

SynonymM-ElhylPhenol, M-ETHYLPHENOL, 3-ethyl-pheno, 3-ETHYLPHENOL, 1-Hydroxy-3-ethylbenzene, Phenol, 3-ethyl-, Phenol, m-ethyl-, meta-ethylphenol, 1-ethyl-3-hydroxy-benzen, MEP, 1-Ethyl-3-hydroxybenzene

SMILESc1(cc(ccc1)O)CC

InChI1S/C8H10O/c1-2-7-4-3-5-8(9)6-7/h3-6,9H,2H2,1H3

Flash Point202 °F

BRN Number1857002

Water solubilitySlightly soluble in water.

Density1.001 g/mL at 25 °C

Melting Point-4 °C

Refractive Index1.533

Boiling Point212 °C750 mm Hg

Vapor Pressure0.05 mm Hg

Atmospheric OH Rate Constant8.41E-11 cm3/molecule-sec

Melting Point-4.00E+00 ° C

pKa Dissociation Constant9.9

Boiling Point218.4 ° C

Water solubility1.13E+04 mg/L

log P (octanol-water)2.4

Henry's Law Constant6.28E-07 atm-m3/mole

Molecular weight122.16

EINECS210-627-3

3-ETHYLCYCLOPENTANE-1,2-DIONE

CAS13494-08-1

FormulaC7H10O2

Synonym2-Cyclopenten-1-one, 3-ethyl-2-hydroxy-, 3-ethylcyclopentane-1,2-dione, EINECS 236-812-9, 3-Ethyl-1,2-cyclopentadione, 1,2-Cyclopentanedione, 3-ethyl-

Molecular weight126.15

EINECS236-812-9

SMILESO=C1C(=O)CC[C@@H]1CC

3-ETHYL-3,7-DIMETHYLOCT-6-ENAL

CAS34687-43-9

FormulaC12H22O

Synonym3-Ethyl-3,7-dimethyl-6-octenal, 3-ethyl-3,7-dimethyloct-6-enal, 3,7-Dimethyl-3-ethyl-6-octenal

Molecular weight182.30

EINECS252-150-3

3-ETHYL-2-METHYLNON-2-ENOIC ACID

CAS71850-80-1

FormulaC12H22O2

Synonym3-ethyl-2-methyl-2-Nonenoic acid, EINECS 276-098-6, 2-Methyl-3-ethyl-2-nonenoic acid, 2-Nonenoic acid, 3-ethyl-2-methyl-, 3-ethyl-2-methylnon-2-enoic acid

Molecular weight198.30

EINECS276-098-6

SMILESC(\C(=C(\CCCCCC)CC)C)(=O)O

3-ETHYL-2,4-DIOXASPIRO(5.5)UNDEC-8-ENE

CAS64165-57-7

FormulaC11H18O2

Synonym3-ethyl-2,4-dioxaspiro[5.5]undec-8-ene, 3-Ethyl-2,4-dioxaspiro[5.5]undec-8-en, Rose undecene, 3-Ethyl-2,4-dioxaspiro (5.5) undec-8-ene

Molecular weight182.26

EINECS264-716-7

3-ETHOXY-1,1,5-TRIMETHYLCYCLOHEXANE

CAS67583-77-1

FormulaC11H22O

Synonym3,3,5-TRIMETHYLCYCLOHEXYLETHYLETHER, 3-Ethoxy-1,1,5-trimethylcyclohexan, 3,3,5-Trimethylcyclohexyl ethyl ether, Cyclohexane, 3-ethoxy-1,1,5-trimethyl-, 3-ethoxy-1,1,5-trimethylcyclohexane, Cyclohexane,3-ethoxy-1,1,5-trimethyl-, 3,3,5-Trimethylcyclohexyl-ethyl-ether, Ethyl 3,3,5-trimethylcyclohexyl ether, Einecs 266-722-5, Herbavert, 1-Ethoxy-3,3,5-trimethylcyclohexane

Molecular weight170.29

EINECS266-722-5

SMILESO([C@@H]1C[C@@H](CC(C)(C)C1)C)CC

3-DODECENAL

CAS68083-57-8

FormulaC12H22O

Synonym3-Dodecenal, ALDEHYDE MANDARINE 10% CITR, dodec-3-en-1-al, UNII-H20639KSS5, Einecs 268-406-2, 3-dodecen-1-al, MANDARINENALDEHYD 10 P. CITR.

Molecular weight182.30

EINECS268-406-2

SMILESO=CC\C=C\CCCCCCCC

InChI1S/C12H22O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h9-10,12H,2-8,11H2,1H3/b10-9+

3-DODECYLDIHYDROFURANONE

CAS73263-36-2

FormulaC16H30O2

Synonym3-dodecyldihydrofuran-2(3H)-one, 3-Dodecyldihydrofuranone, 3-Dodecyl-4,5-dihydro-2(3H)-furanone

Molecular weight254.41

EINECS277-333-5

3-(p-CUMENYL)-2-METHYLPROPIONALDEHYDE

CAS6658-48-6

FormulaC14H20O

SynonymCyclamen homoaldehyde, 3-(p-Cumenyl)-2-methyl propionaldehyde, 3-(p-Isobutylphenyl)-2-methylpropanal, a-Methyl-4-(2-methylpropyl) benzenepropanal, 2-Methyl-3-(4-(2-methylpropyl) phenyl) propanal

Molecular weight204.31

EINECS229-695-0

SMILESO=C[C@@H](C)Cc1ccc(cc1)CC(C)C

3-(o-ETHYLPHENYL)-2,2-DIMETHYLPROPIONALDE HYDE

CAS67634-14-4

FormulaC13H18O

Synonym2,2-Dimethyl-3-(4-ethylphenyl)-propanal, 3-(4-ETHYL-PHENYL)-2,2-DIMETHYL-PROPIONALDEHYDE, 2-ethyl-.alpha.,.alpha.-dimethyl-Benzenepropanal, Benzenepropanal, 2-ethyl-.alpha.,.alpha.-dimethyl-, para-Ethyl-alpha,alpha-dimethyl-hydrocinnamaldehyde, PARA-ETHYL-ALPHA, ALPHA-DIMETHYL HYDROCINNAMALDEHYDE, EINECS 266-818-7, a, a-Dimethyl-4-ethyl benzene propanal, FLORALOZONE, 3-(o-ethylphenyl)-2,2-dimethylpropionaldehyde, Ozone propanal, P-ETHYL-a,a-DIMETHYLDIHYDROCINNAMALDEHYDE, 2-ethyl-alpha,alpha-dimethyl-benzenepropana, Benzenepropanal, 2-ethyl-alpha,alpha-dimethyl-

Molecular weight190.28

EINECS266-818-7

SMILESO=CC(Cc1c(cccc1)CC)(C)C

3,6-DIMETHYL-3-OCTANOL

CAS151-19-9

FormulaC10H22O

SynonymAR 1, 3,6-Dimethyl-3-octanol, 3-Octanol, 3,6-dimethyl-, 3,6-dimethyloctan-3-ol

Molecular weight158.28

InChI1S/C10H22O/c1-5-9(3)7-8-10(4,11)6-2/h9,11H,5-8H2,1-4H3

3,5-DIMETHOXYTOLUENE

CAS4179-19-5

FormulaC9H12O2

Synonym3,5-Dimethoxytoluene, Orcinol monohydrate, dimethyl ether, Benzene, 1,3-dimethoxy-5-methyl-, Orcinol dimethyl ether, 1,3-Dimethoxy-5-methylbenzene, 3,5 Dimethoxytoluene (DMT), Toluene, 3,5-dimethoxy-, 5-Methylresorcinol dimethyl ether, 1,5-Dimethoxy-3-methylbenzene

Molecular weight152.19

InChI1S/C9H12O2/c1-7-4-8(10-2)6-9(5-7)11-3/h4-6H,1-3H3

3,4-DIETHOXYBENZALDEHYDE

CAS2029-94-9

FormulaC11H14O3

Synonym3,4-Diethoxybenzaldehyde, Benzaldehyde, 3,4-diethoxy-

Molecular weight194.23

InChI1S/C11H14O3/c1-3-13-10-6-5-9(8-12)7-11(10)14-4-2/h5-8H,3-4H2,1-2H3

2-tert-BUTYLHYDROQUINONE METHYL ETHER

CAS121-00-6

FormulaC11H16O2

Synonymo-tert-Butyl-p-methoxyphenol, 2-tert-Butyl-4-methoxyphenol, 3-tert-Butyl-p-hydroxyanisole, 3-(1,1-Dimethylethyl)-4-hydroxyanisole, 2-t-Butyl-4-methoxyphenol, 2-t-Butylhydroquinone methyl ether, 3-t-Butyl-4-hydroxyanisole, Phenol, (1,1-dimethylethyl)-4-methoxy-, 2-tert-Bha, Phenol, 2-tert-butyl-4-methoxy-, 4-Methoxy-2-tert-butylphenol, 2-(1,1-Dimethylethyl)-4-methoxyphenol, 4-Hydroxy-3-t-butylanisole 4-Methoxy-2-t-butylphenol, 3-BHA, 4-Methoxy-6-tert-butylphenol, Phenol, 2-(1,1-dimethylethyl)-4-methoxy-

Molecular weight180.24

InChI1S/C11H16O2/c1-11(2,3)9-7-8(13-4)5-6-10(9)12/h5-7,12H,1-4H3

2-METHYLNAPHTHALENE

CAS91-57-6

FormulaC11H10

SynonymHSDB 5274, 2-Methylnaphthalene, Naphthalene, 2-methyl-, 2-methyInaphthalene, EC 202-078-3, Naphthalene, beta-methyl-, beta-Methylnaphthalene, UNII-S8MCX3C16H, EINECS 202-078-3, NSC 3575, AI3-17554, ß-Methylnaphthalene, Superlist Names 2-Methylnaphthalene, Methyl-2-naphthalene, b-Methylnaphthalene

Molecular weight142.20

SMILESc12c(ccc(c1)C)cccc2

InChI1S/C11H10/c1-9-6-7-10-4-2-3-5-11(10)8-9/h2-8H,1H3

Henry's Law Constant5.18E-04 atm-m3/mole

Melting Point34.4 ° C

log P (octanol-water)3.86

Boiling Point241.1 ° C

Vapor Pressure0.055 mm Hg

Atmospheric OH Rate Constant5.23E-11 cm3/molecule-sec

Water solubility24.6 mg/L

2-METHYLBUTANE-2-THIOL

CAS1679-09-0

FormulaC5H12S

Synonymt-Pentanethiol, 2-Butanethiol, 2-methyl-, t-Pentyl mercaptan, tert-Amyl mercaptan, 2-Methylbutan-2-thiol, 2-tert-Pentyl mercaptan, 1,1-dimethyl-1-propanethiol, 2-Methybutane-2-thiol, 2-methylbutane-2-thiol, 2-Methyl-2-butanethiol, tert-Pentyl mercaptan, t-Amyl mercaptan

Molecular weight104.21

InChI1S/C5H12S/c1-4-5(2,3)6/h6H,4H2,1-3H3

Water solubility645 mg/L

Atmospheric OH Rate Constant3.42E-11 cm3/molecule-sec

log P (octanol-water)2.630

Boiling Point99.1 ° C

Henry's Law Constant8.12E-03 atm-m3/mole

2-METHYL-4-(2,6,6-TRIMETHYL-1-CYCLOHEXENYL )-2-BUTENAL

CAS3155-71-3

FormulaC14H22O

SynonymBoronal, 2-methyl-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2-butenal, Boronia butenal

Molecular weight206.32

InChI1S/C14H22O/c1-11(10-15)7-8-13-12(2)6-5-9-14(13,3)4/h7,10H,5-6,8-9H2,1-4H3/b11-7+

2-METHYL-3-BUTEN-2-OL

CAS115-18-4

FormulaC5H10O

SynonymDimethylvinylmethanol, 1,1-Dimethyl-2-propen-1-ol, 3-Buten-2-ol, 2-methyl-, Vinyldimethylcarbinol, Dimethylvinylcarbinol, 3-Methyl-1-buten-3-ol, 2-Methyl-3-buten-2-yl alcohol, 2-Methyl-3-butene-2-ol, 2-Methyl-3-buten-2-ol, Methylbutenol, 3-Methyl-1-butene-3-ol, a,a-Dimethylallyl alcohol, 3-Methyl-buten-(1)-ol-(3), 2-Methyl but-3-en-2-ol, 1,1-Dimethyl-2-propenyl alcohol, 3-Hydroxy-3-methylbutene, CH2=CHC(CH3)2OH, 2-methyl but-3-ene-2-ol, 1-Buten-3-ol, 3-methyl-, NSC 15977, 3-Hydroxy-3-methyl-1-butene, 1,1-Dimethylallyl alcohol, 1,1-Dimethyl-2-propenol, 2-Methyl-2-hydroxy-3-butene

Molecular weight86.13

InChI1S/C5H10O/c1-4-5(2,3)6/h4,6H,1H2,2-3H3

2-ISOPENTENYL SALICYLATE

CAS68555-58-8

FormulaC12H14O3

Synonym3- Methyl-2-butenyl 2-hydroxybenzoate, Benzoic acid, 2-hydroxy-, 3-methyl-2-butenyl ester, 2-Isopentenyl salicylate, Prenyl salicylate, 3-Methyl-2-butenyl salicylate, 2-Buten-1-ol, 3-methyl-, salicylate

Molecular weight206.24

InChI1S/C12H14O3/c1-9(2)7-8-15-12(14)10-5-3-4-6-11(10)13/h3-7,13H,8H2,1-2H3

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