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Isopentyl phenylacetate

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Isopentyl phenylacetate Basic information

Product Name:
Isopentyl phenylacetate
Synonyms:
  • PHENYLACETIC ACID ISOAMYL ESTER
  • PHENYLACETIC ACID ISOPENTYL ESTER
  • METHYL BUTYL PHENYL ACETATE
  • ISOPENTYL PHENYLACETATE
  • ISOAMYL PHENYLACETATE
  • ISOAMYL ALPHA-TOLUATE
  • FEMA 2081
  • 3-METHYLBUTYL PHENYLACETATE
CAS:
102-19-2
MF:
C13H18O2
MW:
206.28
EINECS:
203-012-6
Mol File:
102-19-2.mol
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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)
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Safety Information

Hazard Codes 
Xi
Risk Statements 
38
Safety Statements 
26-36
WGK Germany 
2
RTECS 
AJ2945000
HS Code 
2915.90.2000

MSDS

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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

Occurrence

Reported found in peppermint oil.

Definition

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

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

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 Preparation Products And Raw materials

Raw materials

Isopentyl phenylacetateSupplier

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