Phenylacetic acid isobutyl ester

CAS No.：102-13-6

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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 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
color	Colorless to Light yellow
Specific Gravity	0.985～0.991 (20/4℃)
JECFA Number	1013
LogP	3.5 at 35℃ and pH7
CAS DataBase Reference	102-13-6(CAS DataBase Reference)
NIST Chemistry Reference	Iso-butyl-phenyl-acetate(102-13-6)
EPA Substance Registry System	Benzeneacetic 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
toxicity	Both the acute oral LD₅₀ value in rats and the acute dermal LD₅₀ value in rabbits exceeded 5 g/kg.

MSDS Information

Provider	Language
SigmaAldrich	English
ALFA	English

Phenylacetic acid isobutyl ester Usage And Synthesis

Description	Isobutyl phenylacetate has a sweet, musk-like fragrance and a sweet, honey-like flavor. Prepared via esterification of phenylacetic acid with isobutyl alcohol.
Chemical Properties	Isobutyl phenylacetate has a sweet, musk-like fragrance and a sweet, honey-like flavor
Chemical Properties	Colorless liquid; honeylike odor.Soluble in most fixed oils; insoluble in glycerol, mineral oil, and propyene glycol. Combustible.
Occurrence	Reported found in cocoa
Uses	Flavoring agent, perfumes.
Preparation	By esterification of phenylacetic acid with isobutyl alcohol.
Taste threshold values	Taste characteristics at 4 ppm: sweet, cocoa, fruity, honey and waxy with a spicy nuance
Biochem/physiol Actions	Taste at 5 ppm

Phenylacetic acid isobutyl ester Preparation Products And Raw materials

Raw materials

2-Methyl-1-propanol-->Phenylacetic acid-->alpha-isobutoxytoluene-->OCTYL PHENYLACETATE-->4,6-Dimethyl-2-mercaptopyrimidine-->BUTYL PHENYLACETATE-->Phenylacetyl chloride-->Methyl phenylacetate-->carbon monoxide-->Benzyl bromide-->Toluene-->Benzeneacetonitrile

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