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)

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

• Language:English Provider:SigmaAldrich

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(103-48-0)Related Product Information

• Ethyl acetate
• Ethyl methanesulfonate
• Methyl isobutyrate
• 2,2-Bis(hydroxymethyl)propionic acid
• Ethyl 2-hydroxybenzoate
• 1-Phenylethyl propionate
• Isobutyric acid
• Diethyl methylmalonate
• Phenoxyethyl isobutyrate
• Benzyltriethylammonium chloride
• Benzyl chloride
• Diethyl phthalate
• Ethyl propionate
• Ethyl benzoylformate
• Ethyl methacrylate
• 2-Hydroxyethyl methacrylate
• Ethyl phenylacetate
• N,N-Dimethylbenzylamine