Benzyl isobutyrate Chemical Properties

Boiling point:

238 °C(lit.)

Density 

1.003 g/mL at 25 °C(lit.)

vapor pressure 

5.7Pa at 25℃

FEMA 

2141 | BENZYL ISOBUTYRATE

refractive index 

n20/D 1.49(lit.)

Flash point:

138 °F

form 

clear liquid

color 

Colorless to Almost colorless

Odor

at 100.00 %. jasmin oily fruity sweet rose tropical

Odor Type

floral

Water Solubility 

989.48mg/L at 25℃

JECFA Number

844

BRN 

1869299

LogP

2.99 at 25℃

CAS DataBase Reference

103-28-6(CAS DataBase Reference)

NIST Chemistry Reference

Propanoic acid, 2-methyl-, phenylmethyl ester(103-28-6)

EPA Substance Registry System

Propanoic acid, 2-methyl-, phenylmethyl ester (103-28-6)

Safety Information

Risk Statements 

10

Safety Statements 

16-24/25

RIDADR 

UN 3272 3/PG 3

WGK Germany 

1

RTECS 

NQ4550000

TSCA 

Yes

HS Code 

29156000

Toxicity

The acute oral LD₅₀ in rats was found to be 2850 mg/kg. The acute dermal LD₅₀ was reported to be > 5 ml/kg in the rabbit

MSDS

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

Benzyl isobutyrate Usage And Synthesis

Chemical Properties

Benzyl isobutyrate has a fresh, floral, somewhat jasmine-like, fruity odor and sweet, strawberry-like taste.

Occurrence

Reported found in mint, spearmint, beer, cherimoya (Annona cherimolia Mill.) and Passiflora edulis hybrid juice.

Uses

Useful in fruity-spicy-herbaceous fragrance types, in Gardenia, Jasmin, Rose bases, etc., in trace amounts or in higher concentration if used as a modifier for Benzyl acetate. Occasionally used in flavour compositions, mainly in imitation Banana, Raspberry, Strawberry, and in “Tutti-frutti” flavour. Concentrations are usually about 25 ppm in the finished product.

Preparation

May be prepared from benzyl alcohol and isobutyric acid, by the action of aluminum ethylate on a mixture of benzyl and butyric aldehydes.

Definition

ChEBI: Phenylmethyl 2-methylpropanoate is a carboxylic ester. It is functionally related to a benzyl alcohol.

Taste threshold values

Taste characteristics at 10 ppm: fruity and sweet with ripe berry nuances.

Synthesis Reference(s)

Synthesis, p. 1017, 1986 DOI: 10.1055/s-1986-31855

Flammability and Explosibility

Non flammable

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