Isopentyl phenylacetate Chemical Properties

Boiling point:

268 °C(lit.)

Density 

0.98

vapor pressure 

0.907Pa at 25℃

refractive index 

n20/D 1.485(lit.)

FEMA 

2081 | ISOAMYL PHENYLACETATE

Flash point:

>230 °F

form 

clear liquid

color 

Colorless to Almost colorless

Odor

at 10.00 % in dipropylene glycol. sweet honey cocoa balsam chocolate castoreum animal

Odor Type

chocolate

Water Solubility 

63.049mg/L at 25℃

JECFA Number

1014

LogP

4.08 at 25℃

CAS DataBase Reference

102-19-2(CAS DataBase Reference)

NIST Chemistry Reference

Acetic acid, phenyl-, isopentyl ester(102-19-2)

EPA Substance Registry System

Benzeneacetic 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

• Language:English Provider:SigmaAldrich

Isopentyl phenylacetate Usage And Synthesis

Description

Isoamyl 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 Properties

Isoamyl phenylacetate has a sweet, pleasant odor reminiscent of cocoa with a slight birch-tar undertone.
Insoluble in water, soluble in alcohol and oils.

Occurrence

Reported found in peppermint oil.

Uses

Used in Carnation and other perfume compositions for its sweetness, fruity, almost rosy notes, delicate floralness and good performance in talcum and other functional products. Finds extensive use in flavor compositions for imitation Butter, Chocolate, Cocoa, Honey, Licorice, Peach, etc. With traces of Castoreum, il introduces interesting effects in Cocoa, and Anethole gives naturalness to Licorice flavoring. Due to its high boiling point, it performs excellently in baked goods.

Preparation

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 H2SO4

Definition

ChEBI: 3-Methylbutyl phenylacetate is a member of benzenes.

Aroma threshold values

Aroma characteristics at 1%: sweet, honey, chocolate with a rosy floral nuance.

Taste threshold values

Taste characteristics at 5 to 10 ppm: warm rosy honey with phenyl chocolate nuances and dried fruit notes.

Flammability and Explosibility

Not classified

Isopentyl phenylacetate(102-19-2)Related Product Information

• Phenethyl phenylacetate
• Isoamyl acetate
• Olibanum oil
• 2-Hydroxyphenylacetic acid
• Dimethyl succinate
• 2-Methylphenylacetic acid
• Tris(trimethylsilyl)phosphate
• Isoamyl benzoate
• 4-Hydroxyphenylacetic acid
• BUTYL OLEATE
• Isoamyl o-hydroxybenzoate
• Methyl acrylate
• Ascoric Acid
• CYCLANDELATE
• FEMA 2315
• Testosterone phenylacetate
• EUCATROPINE HYDROCHLORIDE
• CAMYLOFINE DIHYDROCHLORIDE