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

Flash point:

>230 °F

form 

Liquid

color 

Colorless to Light yellow

Specific Gravity

0.985～0.991 (20/4℃)

Odor

at 100.00 %. sweet floral honey chocolate amber

Odor Type

chocolate

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

• Language:English Provider:SigmaAldrich
• Language:English Provider:ALFA

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.

Definition

ChEBI: 2-Methylpropyl phenylacetate is a member of benzenes.

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(102-13-6)Related Product Information

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