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CAS

Formula

Valeraldehyde hexyleneglycol acetal

CAS54546-26-8

FormulaC11H22O2

Synonym2-BUTYL-4,4,6-TRIMETHYL-1,3-DIOXANE, HERBOXANE, 2-butyl-4,4,6-trimethyl-3-dioxane, 3-Dioxane,2-butyl-4,4,6-trimethyl-1, 1,3-Dioxane, 2-butyl-4,4,6-trimethyl-, 2-Butyl-4,4,6-trimethyl-1,3-dioxan, 3-DIOXANE, 2-BUTYL-4,4,6-TRIMETHYL-1,97+%, 2-BUTYL-4,4,6-TRIMETHYL-1,3-DIOXANE, Valeraldehyde hexyleneglycol acetal, 2-Butyl-4,4,6-trimethyl-1,3-dioxane, Herbal acetal, Herboxane, 2,4-O-Pentylidene-2-methylpentane-2,4-diol

Molecular weight186.29

EINECS259-210-8

Isopropyl octanoate

CAS5458-59-3

FormulaC11H22O2

SynonymIsopropyl-n-octanoate, Octanoic acid, 1-methylethyl ester, n-Octanoic acid isopropyl ester, 2-propyl octanoate, Octanoic acid, isopropyl ester, Isopropyl caprylate, 1-Methylethyloctanoate, caprylicacidisopropylester, Octanoic acid, 1-methylethyl ester, Octanoic acid, isopropyl ester, Octanoicacid,1-methylethylester, octanoicacid1-methylethylester, octanoicacidisopropylester, N-OCTANOIC ACID ISOPROPYL ESTER, N-CAPRYLIC ACID ISOPROPYL ESTER, Isopropyl octanoate, n-Caprylic acid isopropyl ester, n-Octanoic acid isopropyl ester, Octanoic acid 1-methyl ethyl ester, Propan-2-yl octanoate

Molecular weight186.29

EINECS226-721-2

InChI1S/C11H22O2/c1-4-5-6-7-8-9-11(12)13-10(2)3/h10H,4-9H2,1-3H3

Heptyl valerate

CAS5451-80-9

FormulaC12H24O2

SynonymPentanoic acid, heptyl ester, ENT 30517, Heptyl valerate, Valeric acid, heptyl ester, 39840N, HEPTYL-VALERATE, 39840N, ENT 30517, Heptyl pentanoate, pentanoicacid,heptylester, pentanoicacidheptylester, Valeric acid, heptyl ester, HEPTYL-VALERATE, Heptyl valerate, Heptyl pentanoate, Pentanoic acid heptyl ester

Molecular weight200.32

EINECS226-686-3

InChI1S/C12H24O2/c1-3-5-7-8-9-11-14-12(13)10-6-4-2/h3-11H2,1-2H3

Cyclohexylpropanol

CAS5442-00-2

FormulaC9H18O

Synonym2-Cyclohexyl-1-propanol, 2-cyclohexylpropan-1-ol, 2-CYCLOHEXYL-1-PROPANOL, CYCLOHEXYL PROPANOL, BETA METHYL CYCLOHEXANE ETHANOL, beta-methyl-cyclohexaneethano, 2-cyclohexylpropan-1-ol, Cyclohexaneethanol, .beta.-methyl-, 2-Cyclohexyl-1-propanol,99%, 2-CYCLOHEXYL-1-PROPANOL, 2-Cyclohexyl-1-propanol, Cyclohexaneethanol, beta-methyl-, EINECS 226-632-9, NSC 20786, UNII-22H972KB64, 2-Cyclohexylpropan-1-ol, Cyclohexaneethanol, beta-methyl-, Cyclohexylpropanol, Cyclohexaneethanol, b-methyl-, 2-Cyclohexanepropanol, 2-Cyclohexylpropan-1-ol, 2-Cyclohexyl-1-propanol

Molecular weight142.24

EINECS226-632-9

SMILESOC[C@@H](C1CCCCC1)C

InChI1S/C9H18O/c1-8(7-10)9-5-3-2-4-6-9/h8-10H,2-7H2,1H3

Hexyl neopentanoate

CAS5434-57-1

FormulaC11H22O2

SynonymPropanoic acid, 2,2-dimethyl-, hexyl ester, Hexyl neopentanoate, Pivalic acid, hexyl ester, 1-Hexyl pivalate, Hexyl 2,2-dimethylpropionate, Propanoic acid, 2,2-dimethyl-, n-hexyl ester, 2,2-Dimethylpropionic acid, hexyl ester, n-Hexyl pivalate, NSC 15684, hexyl pivalate, Propanoic acid, 2,2-dimethyl-, hexyl ester, HEXYLNEOPENTANOATE, Hexylpivalat, Pivalic acid tetradecyl ester, 2,2-Dimethylpropanoic acid hexyl ester, Pivalic acid hexyl ester, hexyl pivalate, 1-Hexyl pivalate, AI3-20486, BRN 2205493, EINECS 226-602-5, Hexyl 2,2-dimethylpropanoate, Hexyl 2,2-dimethylpropionate, Hexyl neopentanoate, Hexyl pivalate, NSC 15684, Pivalic acid, hexyl ester, Propanoic acid, 2,2-dimethyl-, n-hexyl ester, UNII-5D5OEG991O, Hexyl pivalate, Pivalic acid, hexyl ester, Propanoic acid, 2,2-dimethyl-, hexyl ester, Hexyl neopentanoate, Hexyl 2,2-dimethylpropanoate, Hexyl pivalate, 1-Hexyl pivalate, Pivalic acid, hexyl ester, Propanoic acid, 2,2-dimethyl-, hexyl ester Propanoic acid, 2,2-dimethyl-, n-hexyl ester

Molecular weight186.29

EINECS226-602-5

SMILESCCCCCCOC(C(C)(C)C)=O

InChI1S/C11H22O2/c1-5-6-7-8-9-13-10(12)11(2,3)4/h5-9H2,1-4H3

Myrcenol

CAS543-39-5

FormulaC10H18O

Synonym2-Methyl-6-methylene-7-octen-2-ol, 7-Octen-2-ol, 2-methyl-6-methylene-, 1-Myrcenol, 3-Methylene-7-methyl-1-octen-7-ol, 2-methyl-6-methyleneoct-7-en-2-ol, 7-OCTEN-2-OL, 2-METHYL-6-METHYLENE, MYRCENOL, MYRCENOL 50, 2-methyl-6-methylene-7-octen-2-o, 2-Methyl-6-methylene-7-octen-2-ol, 3-Methylene-7-methyl-1-octen-7-ol, 2-methyl-6-methyleneoct-7-en-2-ol, MYCENOL5, 7-OCTEN-2-OL, 2-METHYL-6-METHYLENE, Myrcenol, 3-Methylene-7-methyl-1-octen-7-ol, 2-Methyl-6-methylene-7-octen-2-ol

Molecular weight154.25

EINECS208-843-8

InChI1S/C10H18O/c1-5-9(2)7-6-8-10(3,4)11/h5,11H,1-2,6-8H2,3-4H3

a-Ethoxyphenetole

CAS5426-78-8

FormulaC10H14O2

Synonymalpha-ethoxyphenetole, Benzene, (1-ethoxyethoxy)-, 1-Ethoxyethyl(phenyl) ether, Phenyl(1-ethoxyethyl) ether, (1-Ethoxyethoxy)benzene, Acetaldehyde ethyl phenyl acetal, NSC 14332, alpha-ethoxyphenetole, AI3-21892, EINECS 226-572-3, NSC 14332, Phenyl ethyl acetal, Phenylethyl acetal, Acetaldehyde, ethyl phenyl acetal (8CI), alpha-Ethoxyphenetole, Benzene, (1-ethoxyethoxy)-, a-Ethoxyphenetole, Acetaldehyde ethyl phenyl acetal, Phenyl ethyl acetal

Molecular weight166.22

EINECS226-572-3

SMILESO([C@@H](OCC)C)c1ccccc1

Hexyl phenylacetate

CAS5421-17-0

FormulaC14H20O2

Synonymphenylacetic acid hexyl ester, Benzeneacetic acid, hexyl ester, n-Hexyl phenylacetate, Benzeneaceticacid,hexylester, n-Hexyl phenylacetate, HEXYL ALPHA-TOLUATE, HEXYL PHENYLACETATE, FEMA 3457, PHENYLACETIC ACID, HEXYL ESTER, HEXYL PHENYLACETATE 99+%, 2-phenylacetic acid hexyl ester, FEMA 3457, Hexyl phenylacetate, n-Hexyl phenylacetate, Hexyl a-toluate, Phenylacetic acid hexyl ester

Molecular weight220.31

EINECS226-537-2

InChI1S/C14H20O2/c1-2-3-4-8-11-16-14(15)12-13-9-6-5-7-10-13/h5-7,9-10H,2-4,8,11-12H2,1H3

Tris(methylthiomethane)

CAS5418-86-0

FormulaC4H10S3

SynonymMethane, tris(methylthio)-, Orthoformic acid, trithio-, trimethyl ester, Methyl orthotrithioformate, Trimethyl trithioorthoformate, Trithiomethoxymethane, Tris(methythio)methane, 3-METHYLTHIO-2,4-DITHIAPENTANE, TRIMETHYL TRITHIOORTHOFORMATE, TRI(METHYLTHIO)ORTHOFORMATE, TRIS(METHYLTHIO)METHANE, Methyl orthotrithioformate, Orthoformic acid, trithio-, trimethyl ester, Tris(methylsulfanyl)methane, Tris(methythio)methane, TRIS(METHYLTHIO)METHANE, Tris(methylthiomethane), 3-Methylthio-2,4-dithiapentane

Molecular weight154.32

InChI1S/C4H10S3/c1-5-4(6-2)7-3/h4H,1-3H3

Acetaldehyde dihexylacetal

CAS5405-58-3

FormulaC14H30O2

SynonymACETALDEHYDE DIHEXYLACETAL, ACETALDEHYDE DI-N-HEXYL ACETAL, 1,1’-[ethylidenebis(oxy)]bis-hexan, ethylidenebis(oxy)dihexane, Acetaldehyde de-n-hexyl acetal, Dihexylacetal, Hexane, 1,1-ethylidenebis(oxy)bis-, 1,1-di-n-hexyloxyethane, ACETALDEHYDE DI-N-HEXYL ACETAL, Acetaldehyde dihexylacetal, 1,1- Di(hexyl oxy) ethane, 1,1-( Ethylidene bis(oxy)) bishexane, Ethylidene bis(oxy) dihexane, 1-(1- Hexoxyethoxy) hexane

Molecular weight230.39

EINECS226-458-3

t-Amylcyclohexanol

CAS5349-51-9

FormulaC11H22O

Synonym4-TERT-PENTYLCYCLOHEXANOL, 4-TERT-AMYLCYCLOHEXANOL, 4-TERT-AMYLCYCLOHEXANOL, 98%, MIXTURE OF CIS AND TRANS, 4-tert-Amylcyclohexanol, cis + trans, 99%, 4-tert-Amylcyclohexanol,cis/transmixedisomers, Cyclohexanol, 4-(1,1-dimethylpropyl)-, 4-tert-amylcyclohexanol, mixture of cis and trans, 4-tert-pentylcyclohexanol, cis + trans, 4-TERT-AMYLCYCLOHEXANOL, t-Amylcyclohexanol, 4-t-Amylcyclohexanol, 4-t-Pentylcyclohexanol

Molecular weight170.29

EINECS226-311-3

Melting Point24-27 °C

Flash Point>230 °F

Boiling Point154-155 °C40 mm Hg

Density0.903 g/mL at 25 °C

Butylquinoline

CAS53452-65-6

FormulaC13H15N

Synonymbutylquinoline, Einecs 258-564-0, Quinoline, butyl-, Butylquinoline

Molecular weight185.26

EINECS258-564-0

Butyl phenethyl ether

CAS5331-14-6

FormulaC12H18O

Synonym(2-butoxyethyl)-benzen, (2-butoxyethyl)-Benzene, CRESSANTHER, PHENYLETHYL N-BUTYL ETHER, Benzene, (2-butoxyethyl)-, Butyl-(2-phenethyl) ether, Cognac oil,artificial, Butylphenethyl ether, CRESSANTHER, Butyl phenethyl ether, (2-Butoxyethyl) benzene

Molecular weight178.27

EINECS226-226-1

Thymol acetate

CAS528-79-0

FormulaC12H16O2

SynonymThymol acetate, Thimyl acetate, Phenol, 5-methyl-2-(1-methylethyl)-, acetate, O-Acetylthymol, thymol acetate, Acetylthymol, Thymyl acetate, Phenol, 5-methyl-2-(1-methylethyl)-, acetate, 2-Acetoxy-1-isopropyl-4-methylbenzene, 2-Isopropyl-5-methylphenol acetate, Acetic acid 5-methyl-2-(1-methylethyl)phenyl ester, (5-methyl-2-propan-2-ylphenyl) acetate, Thymol acetate, Acetylthymol, 2-Isopropyl-5-methyl phenyl acetate, 5-Methyl-2-(1-methylethyl) phenol acetate, Thymyl acetate

Molecular weight192.25

EINECS208-442-8

InChI1S/C12H16O2/c1-8(2)11-6-5-9(3)7-12(11)14-10(4)13/h5-8H,1-4H3

3-(4-Methyl-3-pentenyl)cyclohex-3-ene-1-carbaldehyde

CAS52475-89-5

FormulaC13H20O

Synonym3-Cyclohexene-1-carboxaldehyde, 3-(4-methyl-3-pentenyl)-, 3-Cyclohexene-1-carboxaldehyde, 3-(4-methyl-3-penten-1-yl)-, 1-Formyl-3-(3-isohexenyl)-3-cyclohexene, m-Myrac aldehyde, 3-(4-methyl-3-pentenyl)cyclohex-3-ene-1-carbaldehyde, 3-(4-methyl-3-pentenyl)cyclohex-3-ene-1-carbaldehyde, 1-Formyl-3-isohexenyl-3-cyclohexene, 3-(4-methyl-3-pentenyl)-3-Cyclohexene-1-carboxaldehyde, 1-(4-Methyl-3-pentenyl)cyclohexene-5-carbaldehyde, 3-(4-Methyl-3-pentenyl)-3-cyclohexene-1-carbaldehyde, 3-Cyclohexene-1-carboxaldehyde, 3-(4-methyl-3-penten-1-yl)-, 3-Cyclohexene-1-carboxaldehyde, 3-(4-methyl-3-pentenyl)-, Einecs 257-943-8, 3-(4-Methyl-3-pentenyl)cyclohex-3-ene-1-carbaldehyde

Molecular weight192.30

EINECS257-943-8

InChI1S/C13H20O/c1-11(2)5-3-6-12-7-4-8-13(9-12)10-14/h5,7,10,13H,3-4,6,8-9H2,1-2H3

3-Cyclohexene-1-carboxaldehyde, 1-methyl-4-(4-methyl-3-pentenyl)

CAS52475-86-2

FormulaC14H22O

Synonym1-methyl-4-(4-methyl-3-pentenyl)cyclohex-3-ene-1-carbaldehyde, 1-METHYL-4-(4-METHYL-3-PENTENYL)-3-CYCLOHEXENE-1-CARBOXALD., 1-methyl-4-(4-methyl-3-pentenyl)-3-Cyclohexene-1-carboxaldehyde, 4-(4-Methyl-3-pentenyl)-1-methyl-3-cyclohexene-1-carboxaldehyde, 1-Methyl-4-(4-methyl-3-pentenyl)-3-cyclohexene-1-carbaldehyde, Nsc22288, 1-Methyl-4-(4-Methylpent-3-en-1-yl)cyclohex-3-enecarbaldehyde, 1-methyl-4-(4-methyl-3-pentenyl)cyclohex-3-ene-1-carbaldehyde, 1-Methyl-4-(4-methyl-3-pentenyl)-3-cyclohexene-1-carboxaldehyde, 4-(4-Methyl-3-pentenyl)-1-methyl-3-cyclohexene-1-carboxaldehyde, EINECS 257-942-2, NSC 22288, 1-Methyl-4-(4-methyl-3-pentenyl)cyclohex-3-ene-1-carbaldehyde, 3-Cyclohexene-1-carboxaldehyde, 1-methyl-4-(4-methyl-3-penten-1-yl)-, 3-Cyclohexene-1-carboxaldehyde, 1-methyl-4-(4-methyl-3-pentenyl)-, 3-Cyclohexene-1-carboxaldehyde, 1-methyl-4-(4-methyl-3-pentenyl)

Molecular weight206.32

EINECS257-942-2

SMILESC1=C(CC[C@@](C1)(C=O)C)CC\C=C(/C)C

1-Methyl-4-(4-methyl-3-penten-1-yl)-3-cyclohexene carboxaldehyde

CAS52474-60-9

FormulaC14H22O

SynonymPRECYCLEMONE B, MYRAMCALDEHYDE, MYRIC ALDEHYDE, 1-METHYL-4-(4-METHYL-PENT-3-ENYL)-CYCLOHEX-3-ENECARBALDEHYDE, 3-CYCLOHEXENE-1-CARBOXALDEHYDE, 1-METHYL-4-(4-METHYL-3-PENTENYL), 1-methyl-3-(4-methyl-3-pentenyl)-3-cyclohexene-1-carboxaldehyd, 1-methyl-3-(4-methyl-3-pentenyl)-3-Cyclohexene-1-carboxaldehyde, Myrmac aldehyde, Precyclemone B, 1-Methyl-4-(4-methyl-3-penten-1-yl)-3-cyclohexene carboxaldehyde, Myrac aldehyde

Molecular weight206.33

EINECS257-941-7

b-Cadinene

CAS523-47-7

FormulaC15H24

SynonymCadina-3,9-diene, Naphthalene, 1,2,4a,5,8,8a-hexahydro-4,7-dimethyl-1-(1-methylethyl)-, [1S-(1a,4aß,8aa)]-, ß-Cadinene, (-)-, (-)-ß-Cadinene, Cadine-3,9-diene, NCI-C56008, 1-Isopropyl-4,7-dimethyl-1,2,4a,5,8,8a-hexahydronaphthalene-, [1S-(1a,4aß,8aa)]-, beta-Cadinene, Naphthalene, 1,2,4a,5,8,8a-hexahydro-4,7-dimethyl-1-(1-methylethyl)-, (1S,4aR,8aS)-, (-)-Beta-cadinene, beta-Cadinene, BETA-CARDININE, cadinenes, (1S)-1,2,4aß,5,8,8aa-Hexahydro-4,7-dimethyl-1-(1-methylethyl)naphthalene, (1S,4aR,8aS)-1,2,4a,5,8,8a-Hexahydro-4,7-dimethyl-1-(1-methylethyl)naphthalene, Cadina-3,9-diene, (1S,4aR,8aS)-1-isopropyl-4,7-dimethyl-1,2,4a,5,8,8a-hexahydronaphthalene, beta-Cadinene, beta-Cadinene, beta-Cadinene, (-)-, Cadina-3,9-diene, Cadine-3,9-diene, CCRIS 5894, HSDB 4355, Naphthalene, 1,2,4a,5,8,8a-hexahydro-4,7-dimethyl-1-(1-methylethyl)-, (1S-(1alpha,4abeta,8aalpha))-, NCI-C56008, NSC 46152, UNII-Z07LA0GY4J, beta-Cadinene, Cadina-3,9-diene (8CI), Naphthalene, 1,2,4a,5,8,8a-hexahydro-4,7-dimethyl-1-(1-methylethyl)-, (1S,4aR,8aS)-, Naphthalene, 1,2,4a,5,8,8a-hexahydro-4,7-dimethyl-1-(1-methylethyl)-, (1S-(1alpha,4abeta,8aalpha))- (9CI), b-Cadinene, 3,9-Cadinadiene, Cadine-3,9-diene, (-)-b-Cadinene, Naphthalene, 1,2,4a,5,8,8a-hexahydro-4,7-dimethyl-1-(1-methylethyl)-(1S-(1a,4b,8a))-

Molecular weight204.35

SMILESC1[C@@H]2[C@H](C(=CC[C@H]2C(C)C)C)CC=C1C

InChI1S/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/t13-,14-,15-/m1/s1

log P (octanol-water)6.640

Atmospheric OH Rate Constant1.88E-10 cm3/molecule-sec

Boiling Point274 ° C

a-Ionyl acetate

CAS52210-18-1

FormulaC15H24O2

SynonymALPHA-IONYL ACETATE, 3-Buten-2-ol,4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-,acetate, 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-oacetate, 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-olacetate, 3-(2,6,6-trimethyl-2-cyclohexen-1-yl)propen-1-yl acetate, 3-(2,6,6-Trimethyl-2-cyclohexen-1-yl)propen-1-ylacetat, ALPHA-IONYL ACETATE, a-Ionyl acetate, 3-Buten-2-ol, 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, acetate, 4-(2,6,6-Trimethyl-2-cyclohexenyl)-2-butenyl acetate

Molecular weight236.35

EINECS257-738-3

Methyl ethylacetoacetate

CAS51756-08-2

FormulaC7H12O3

Synonym2-ethyl-3-oxo-butanoicacimethylester, METHYL 2-ETHYLACETOACETATE, 2-ETHYLACETOACETIC ACID METHYL ESTER, 2-ETHYLACETOACETIC METHYL ESTER, Methyl-2-ethylacetoacetate, 98%+, methyl 2-ethylacetoacetat, 2-Ethyl-3-oxobutanoic acid methyl ester, 2-Ethyl-3-oxobutyric acid methyl ester, METHYL 2-ETHYLACETOACETATE, 2-Ethyl-3-oxobutanoic acid, methyl ester, EINECS 257-381-3, Methyl 2-ethylacetoacetate, Butanoic acid, 2-ethyl-3-oxo-, methyl ester, Methyl 2-ethylacetoacetate, Methyl ethylacetoacetate, Methyl 2-ethylacetoacetate

Molecular weight144.17

EINECS257-381-3

SMILESO=C(OC)[C@@H](C(=O)C)CC

Atmospheric OH Rate Constant4.68E-12 cm3/molecule-sec

log P (octanol-water)0.210

Boiling Point182 ° C

3-(4-Hydroxy-4-methylpentyl)cyclohex-3-ene-1-carbaldehyde

CAS51414-25-6

FormulaC13H22O2

Synonym3-(4-hydroxy-4-methylpentyl)cyclohex-3-ene-1-carbaldehyde, 3-Cyclohexene-1-carboxaldehyde, 3-(4-hydroxy-4-methylpentyl)-, 3-(4-HYDROXY-4-METHYLPENTYL)-3-CYCLOHEXENE-1-CARBOXALDEHYDE, 3-(4-Hydroxy-4-methylpentyl)cyclohex-3-en-1-carbaldehyd, 3-(4-Hydroxy-3-methylpentyl)-3-cyclohexene-1-carbaldehyde, 3-Cyclohexene-1-carboxaldehyde, 3-(4-hydroxy-4-methylpentyl)-, EINECS 257-187-9, 3-(4-Hydroxy-4-methylpentyl)cyclohex-3-ene-1-carbaldehyde, 3-Cyclohexene-1-carboxaldehyde, 3-(4-hydroxy-4-methylpentyl)-, 3-(4-Hydroxy-4-methylpentyl)cyclohex-3-ene-1-carbaldehyde

Molecular weight210.31

EINECS257-187-9

SMILESC1[C@@H](CCC=C1CCCC(C)(C)O)C=O

Amyl phenylacetate

CAS5137-52-0

FormulaC13H18O2

SynonymN-Amyl phenylacetate, phenylacetic acid pentyl ester, Pentyl phenylacetate, Benzeneacetic acid, pentyl ester, Acetic acid, phenyl-, pentyl ester, 1-pentyl2-phenylacetate, 2-phenyl-aceticacidpentylester, Acetic acid, phenyl-, pentyl ester, Benzeneacetic acid, pentyl ester, Benzeneaceticacid,pentylester, N-AMYL-PHENYLACETATE, PENTYL PHENYLACETATE, AMYL PHENYLACETATE, Amyl phenylacetate, Acetic acid, phenyl-, pentyl ester, n-Amyl phenylacetate, Benzeneacetic acid, pentyl ester, Pentylphenylacetate

Molecular weight206.28

EINECS225-895-7

InChI1S/C13H18O2/c1-2-3-7-10-15-13(14)11-12-8-5-4-6-9-12/h4-6,8-9H,2-3,7,10-11H2,1H3

Hexadecanedioic acid

CAS505-54-4

FormulaC16H30O4

Synonymn-Tetradecane-?,?'-dicarboxylic acid, Hexadecane-1,16-dioic acid, Thapsic acid, 1,14-Tetradecanedicarboxylic acid, 1,16-Hexadecanedioic acid, THAPSIC ACID, Hexadecane-1,16-dioic acid, n-Tetradecane-omega,omega'-dicarboxylic acid, DICARBOXYLIC ACID C16, HEXADECANE DIACID, HEXADECANEDIOIC ACID, 1,16-HEXADECANEDIOIC ACID, 1,14-TETRADECANEDICARBOXYLIC ACID, Hexadecanedioic acid, 1,16-Hexadecanedioic acid, Thapsic acid

Molecular weight286.41

EINECS208-013-5

InChI1S/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)

StabilityStable. Incompatible with bases, oxidizing agents, reducing agents. Combustible.

BRN Number1792831

Storage Temperature2-8°C

Melting Point120-123 °C

Limonene, psi-

CAS499-97-8

FormulaC10H16

SynonymPseudolimonene, trans-p-mentha-1(7),8-diene, 1-Methylene-4-(prop-1-en-2-yl)cyclohexane, 1(7),8-p-Menthadiene, Mentha-1,7(8)-diene, Cyclohexane, 1-methylene-4-(1-methylethenyl)-, ?-Limonene, Pseudolimonen, 1-Isopropenyl-4-methylenecyclohexane, 1-methylene-4-(1-methylvinyl)cyclohexane, 1-methylene-4-(1-methylvinyl)cyclohexane, 1-Methylene-4-(1-methylethenyl)cyclohexane, 4-Isopropenyl-1-methylenecyclohexane, p-Mentha-1(7),8-diene, Pseudolimonene, 1-isopropenyl-4-methylene-cyclohexane, 1-methylidene-4-prop-1-en-2-ylcyclohexane, 1-methylidene-4-prop-1-en-2-yl-cyclohexane, 1-methylene-4-(1-methylvinyl)cyclohexane, Limonene, psi-

Molecular weight136.23

EINECS207-895-9

InChI1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h10H,1,3-7H2,2H3

Hinokitiol

CAS499-44-5

FormulaC10H12O2

Synonymß-Thujaplicine, 2,4,6-Cycloheptatrien-1-one, 2-hydroxy-4-(1-methylethyl)-, beta-Isopropyltropolone, 2,4,6-Cycloheptatrien-1-one, 2-hydroxy-4-isopropyl-, ß-Isopropyltropolon, Hinokitiol, 4-Isopropyltropolone, 2-Hydroxy-4-isopropyl-2,4,6-cycloheptatrien-1-one, Hinokitol, Tropolone, 4-isopropyl-, Thujaplicin, ß, NSC 18804, 2-hydroxy-4-isopropyl-2,4,6-cyclohepta-2,4,6-trien-1-one, HINOKITIOL, BETA-THUJAPLICIN, BETA-THUJAPLICINE, B-THUJAPLICIN, 2-HYDROXY-4-ISOPROPYLCYCLOHEPTA-2,4,6-TRIEN-1-ONE, 2-HYDROXY-4-ISOPROPYL-2,4,6-CYCLOHEPTATRIEN-1-ONE, 2-HYDROXY-4-ISOPROPYL-2,4,6-CYCLOHEPTATRIENE, 2-hydroxy-4-(1-methylethyl)-2,4,6-cycloheptatrien-1-one, 2-Hydroxy-4-isopropyl-2,4,6-cycloheptatrien-1-one, 4-08-00-00488 (Beilstein Handbook Reference), 4-Isopropyltropolone, AI3-28398, beta-Isopropyltropolon, beta-Thujaplicin, beta-Thujaplicine, BRN 2045206, EINECS 207-880-7, Hinokitiol, Hinokitol, NSC 18804, THUJAPLICIN, BETA, Tropolone, 4-isopropyl-, UNII-U5335D6EBI, 2,4,6-Cycloheptatrien-1-one, 2-hydroxy-4-(1-methylethyl)-, 2,4,6-Cycloheptatrien-1-one, 2-hydroxy-4-isopropyl-, 2-Hydroxy-4-isopropyl-2,4,6-cyclohepta-2,4,6-trien-1-one, Hinokitiol, 2,4,6-Cycloheptatrien-1-one, 2-hydroxy-4-isopropyl-, 2,4,6-Cycloheptatrien-1-one, 2-hydroxy-4-(1-methylethyl)-, 2-Hydroxy-4-isopropyl-2,4,6-cycloheptatrien-1-one, 2-Hydroxy-4-(1-methylethyl)-2,4,6-cycloheptatrien-1-one, b-Isopropyltropolon Isopropyltropolone, 4-Isopropyltropolone, b-Thujaplicin, b-Thujaplicine, Tropolone, 4-isopropyl-

log P (octanol-water)1.830

Water solubility1200 mg/L

Atmospheric OH Rate Constant8.48E-11 cm3/molecule-sec

Merck9390

Molecular weight164.20

Melting Point50-52 °C

EINECS207-880-7

Boiling Point140 °C10 mm Hg

SMILESCC(C)c1cccc(=O)c(c1)O

InChI1S/C10H12O2/c1-7(2)8-4-3-5-9(11)10(12)6-8/h3-7H,1-2H3,(H,11,12)

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