Isopentyl phenylacetate

Isopentyl phenylacetate Basic information
Product Name:Isopentyl phenylacetate
Synonyms:phenylaceticacid3-methylbutylester;phenyl-aceticaciisopentylester;Phenylacetic acid isoamyl;Phenylacetic acid isopentyl;ISOAMYL-PHENYLACETAT;Isopentylphenylacetat;ISOAMYL PHENYL ACETATE, NATURAL;Isoamyl plaenylacetate
CAS:102-19-2
MF:C13H18O2
MW:206.28
EINECS:203-012-6
Product Categories:
Mol File:102-19-2.mol
Isopentyl phenylacetate Structure
Isopentyl phenylacetate Chemical Properties
Boiling point 268 °C(lit.)
density 0.98
vapor pressure 0.907Pa at 25℃
FEMA 2081 | ISOAMYL PHENYLACETATE
refractive index n20/D 1.485(lit.)
Fp >230 °F
form clear liquid
color Colorless to Almost colorless
Odorat 10.00 % in dipropylene glycol. sweet honey cocoa balsam chocolate castoreum animal
Odor Typechocolate
Water Solubility 63.049mg/L at 25℃
JECFA Number1014
LogP4.08 at 25℃
CAS DataBase Reference102-19-2(CAS DataBase Reference)
NIST Chemistry ReferenceAcetic acid, phenyl-, isopentyl ester(102-19-2)
EPA Substance Registry SystemBenzeneacetic acid, 3-methylbutyl ester (102-19-2)
Safety Information
Hazard Codes Xi
Risk Statements 38
Safety Statements 26-36
WGK Germany 2
RTECS AJ2945000
HS Code 2915.90.2000
MSDS Information
ProviderLanguage
SigmaAldrich English
Isopentyl phenylacetate Usage And Synthesis
DescriptionIsoamyl phenylacetate has a sweet, pleasant odor reminiscent of cocoa with a slight birch-tar undertone. May be prepared by esterification of phenylacetic acid with isoamyl alcohol in the presence of concentrated sulfuric acid; by heating benzyl nitrile and isoamyl alcohol in the presence of excess concentrated H2S04.
Chemical PropertiesIsoamyl phenylacetate has a sweet, pleasant odor reminiscent of cocoa with a slight birch-tar undertone
OccurrenceReported found in peppermint oil.
PreparationBy esterification of phenylacetic acid with isoamyl alcohol in the presence of concentrated sulfuric acid; by heating benzyl nitrile and isoamyl alcohol in the presence of excess concentrated H2SO4
DefinitionChEBI: 3-Methylbutyl phenylacetate is a member of benzenes.
Aroma threshold valuesAroma characteristics at 1%: sweet, honey, chocolate with a rosy floral nuance.
Taste threshold valuesTaste characteristics at 5 to 10 ppm: warm rosy honey with phenyl chocolate nuances and dried fruit notes.
Flammability and ExplosibilityNotclassified
Isopentyl phenylacetate Preparation Products And Raw materials
Raw materialsHydrogen-->3-Methyl-1-butanol-->Phenylacetic acid
CEDRYL PHENYLACETATE A-AMINOPHENYLACETIC ACID ISOAMYL ESTER HYDROCHLORIDE Testosterone phenylacetate Isopentyl phenylacetate DELAVACONITINE AKOS BBS-00002616 Phenethyl phenylacetate Ascoric Acid FEMA 2315 CAMYLOFINE DIHYDROCHLORIDE Isoamyl benzoate 2-Methylphenylacetic acid DL-MANDELIC ACID ISOAMYL ESTER ISOAMYL ALPHA-BROMOPHENYLACETATE VETIVERYL PHENYLACETATE EUCATROPINE HYDROCHLORIDE Isoamyl nitrate γ-Methylbutyl nitrate 20-OXO-12,20-DIDEOXYPHORBOL 13-PHENYLACETATE

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