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Phenethyl isobutyrate

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Phenethyl isobutyrate Basic information

Product Name:
Phenethyl isobutyrate
Synonyms:
  • benzylcarbinyl isobutyrate
  • Benzylcarbinyl 2-methylpropanoate
  • BETA PHENYL ETHYL ISOBUTYRATE
  • B-PHENYLETHYL ISOBUTYRATE
  • FEMA 2862
  • isobutyricacid,phenethylester
  • Phenethyl 2-methylpropanoate
  • Phenethyl isobutanoate
CAS:
103-48-0
MF:
C12H16O2
MW:
192.25
EINECS:
203-116-1
Product Categories:
  • Building Blocks
  • C12 to C63
  • Carbonyl Compounds
  • Chemical Synthesis
  • Esters
  • Organic Building Blocks
  • Alphabetical Listings
  • Flavors and Fragrances
  • O-P
Mol File:
103-48-0.mol
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Phenethyl isobutyrate Chemical Properties

Boiling point:
250 °C (lit.)
Density 
0.988 g/mL at 25 °C (lit.)
vapor pressure 
3.626-45Pa at 25℃
FEMA 
2862 | PHENETHYL ISOBUTYRATE
refractive index 
n20/D 1.4873(lit.)
Flash point:
227 °F
solubility 
Insoluble in water
form 
clear liquid
color 
Colorless to light-yellow liquid
Odor
fruity, rosy odor
Odor Type
floral
Water Solubility 
51-160mg/L at 20-25℃
JECFA Number
992
LogP
3.5 at 35℃
CAS DataBase Reference
103-48-0(CAS DataBase Reference)
NIST Chemistry Reference
Propanoic acid, 2-methyl-, 2-phenylethyl ester(103-48-0)
EPA Substance Registry System
2-Phenylethyl isobutyrate (103-48-0)
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Safety Information

Safety Statements 
24/25
WGK Germany 
2
RTECS 
NQ5435000
HS Code 
29156000
Toxicity
LD50 orl-rat: 5200 mg/kg FCTXAV 16,637,78

MSDS

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Phenethyl isobutyrate Usage And Synthesis

Chemical Properties

Colorless to pale yellow liquid

Chemical Properties

Phenethyl isobutyrate occurs in peppermint oils. It has a heavy, fruity, blossom odor and is used accordingly in perfume and flavor compositions.

Chemical Properties

Phenethyl isobutyrate has a fruity odor and a bittersweet taste reminiscent of unripe plum, pineapple and banana.

Occurrence

Reported found in Scotch spearmint oil, peppermint oil, beer, cognac, rum, cider, olive and smaller galanga.

Uses

Phenylethyl Isobutyrate is a synthetic flavoring agent that is a stable, colorless to light yellow liquid of fruity odor of floral note. It is soluble in alcohol and practically insoluble in water. It should be stored in glass or tin-lined containers. It is used in flavors for peach with applications in beverages, ice cream, candy, and baked goods at 3–13 ppm.

Preparation

By esterification of phenethyl alcohol with n-hexanoic acid.

Definition

ChEBI: A carboxylic ester obtained by the formal condensation of 2-phenylethanol with isobutyric acid.

Taste threshold values

Taste characteristics at 2.5 ppm: floral, waxy, green and rosy with winey, grape and berry nuances.

Synthesis Reference(s)

Tetrahedron Letters, 36, p. 3997, 1995 DOI: 10.1016/0040-4039(95)00697-B

General Description

Phenethyl isobutyrate belongs to the fragrance structural group, Aryl Alkyl Alcohol Simple Acid Esters (AAASAE). It is reported as a fragrance ingredient. Toxicologic and dermatologic review on phenethyl isobutyrate has been reported.

Flammability and Explosibility

Not classified

Safety Profile

Mildly toxic by ingestion. Combustible liquid. When heated to decomposition it emits acrid smoke and irritating fumes.

Phenethyl isobutyrate Preparation Products And Raw materials

Raw materials

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