Phenylacetic acid isobutyl ester

Phenylacetic acid isobutyl ester Basic information
Product Name:Phenylacetic acid isobutyl ester
Synonyms:FEMA 2210;ISOBUTYL ALPHA-TOLUATE;ISOBUTYL PHENYLACETATE;EGLANTINE;2-METHYLPROPYL PHENYLACETATE;ACETIC ACID, PHENYL:ISOBUTYL ESTER;PHENYLACETIC ACID ISOBUTYL ESTER;2-methylpropylbenzeneacetate
CAS:102-13-6
MF:C12H16O2
MW:192.25
EINECS:203-007-9
Product Categories:flavoring;Alphabetical Listings;Flavors and Fragrances;I-L
Mol File:102-13-6.mol
Phenylacetic acid isobutyl ester Structure
Phenylacetic acid isobutyl ester Chemical Properties
Boiling point 253 °C(lit.)
density 0.986 g/mL at 25 °C(lit.)
vapor pressure 2-3.4Pa at 20-25℃
refractive index n20/D 1.487(lit.)
FEMA 2210 | ISOBUTYL PHENYLACETATE
Fp >230 °F
form Liquid
Specific Gravity0.985~0.991 (20/4℃)
color Colorless to Light yellow
Odorat 100.00 %. sweet floral honey chocolate amber
Odor Typechocolate
JECFA Number1013
LogP3.5 at 35℃ and pH7
CAS DataBase Reference102-13-6(CAS DataBase Reference)
NIST Chemistry ReferenceIso-butyl-phenyl-acetate(102-13-6)
EPA Substance Registry SystemBenzeneacetic acid, 2-methylpropyl ester (102-13-6)
Safety Information
Hazard Codes Xi
Risk Statements 36/37/38
Safety Statements 26-36
WGK Germany 2
RTECS CY1681950
TSCA Yes
HS Code 29163990
toxicityBoth the acute oral LD50 value in rats and the acute dermal LD50 value in rabbits exceeded 5 g/kg.
MSDS Information
ProviderLanguage
SigmaAldrich English
ALFA English
Phenylacetic acid isobutyl ester Usage And Synthesis
DescriptionIsobutyl phenylacetate has a sweet, musk-like fragrance and a sweet, honey-like flavor. Prepared via esterification of phenylacetic acid with isobutyl alcohol.
Chemical PropertiesIsobutyl phenylacetate has a sweet, musk-like fragrance and a sweet, honey-like flavor
Chemical PropertiesColorless liquid; honeylike odor.Soluble in most fixed oils; insoluble in glycerol, mineral oil, and propyene glycol. Combustible.
OccurrenceReported found in cocoa
UsesFlavoring agent, perfumes.
PreparationBy esterification of phenylacetic acid with isobutyl alcohol.
DefinitionChEBI: 2-Methylpropyl phenylacetate is a member of benzenes.
Taste threshold valuesTaste characteristics at 4 ppm: sweet, cocoa, fruity, honey and waxy with a spicy nuance
Biochem/physiol ActionsTaste at 5 ppm
CEDRYL PHENYLACETATE Testosterone phenylacetate 3-Quinuclidinyl benzilate N-METHYL L-QNB, [N-METHYL-3H]- DELAVACONITINE REVATROPATE Phenylacetic acid isobutyl ester 2-PHENYLBUTYRIC ACID ANHYDRIDE Feneritrol L-QUINUCLIDINYL BENZILATE, [BENZYLIC-4,4'-3H(N)] R(-)-QNB METHIODIDE Clidinium bromide Amprotropine Ibuverine 12-DEOXYPHORBOL 13-PHENYLACETATE Espatropate (R)-(-)-3-QUINUCLIDINYL BENZILATE 20-OXO-12,20-DIDEOXYPHORBOL 13-PHENYLACETATE

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