Isoamyl benzoate

CAS NO.：94-46-2
Empirical Formula: C12H16O2
Molecular Weight: 192.25
MDL number: MFCD00026515
EINECS: 202-334-4
SAFETY DATA SHEET (SDS)
Update Date: 2024-08-19 17:35:41

What is Isoamyl benzoate?

Description

Isoamyl benzoate has a fruity, slightly pungent odor. May be prepared by transesterification of methyl benzoate and isoamyl alcohol in the presence of potassium isoamylate; also by heating benzoyl chloride and isoamyl acetate.

Chemical properties

Colorless liquid; fruity odor. Insoluble in water; soluble in alcohol. Combustible.

Chemical properties

Isoamyl benzoate has a mild, sweet, fruit-like odor

Occurrence

Reported found in vinegar, cocoa, sweet cherry, papaya, beer, quince, litchi, cherimoya, sea buckthorn (Hippophae rhamnoides L.) and jackfruit (Artocarpus heterophyllus Larn.)

The Uses of Isoamyl benzoate

In perfumery and cosmetics.

Preparation

By transesterification of methyl benzoate and isoamyl alcohol in the presence of potassium isoamylate; also by heating benzyl chloride and isoamyl acetate.

Definition

ChEBI: 3-Methylbutyl benzoate is a benzoate ester.

Taste threshold values

Taste characteristics at 25 ppm: sweet, fruity with a green tropical nuance.

Metabolism

Benzoic acid is metabolized in the mammalian body after conjugation with glycine to form hippuric acid and benzoylglucuronic acid, which are excreted in the urine(Williams, 1959).

Properties of Isoamyl benzoate

Boiling point:	261-262 °C (lit.)
Density	0.99 g/mL at 25 °C (lit.)
vapor pressure	1hPa at 66℃
FEMA	2058 \| ISOAMYL BENZOATE
refractive index	n20/D 1.494(lit.)
Flash point:	>230 °F
storage temp.	Store below +30°C.
Water Solubility	Insoluble in water
form	clear liquid
color	Colorless
Odor	at 100.00 %. sweet balsamic green waxy
JECFA Number	857
Merck	14,5113
Dielectric constant	5.1（20℃）
CAS DataBase Reference	94-46-2(CAS DataBase Reference)
NIST Chemistry Reference	1-Butanol, 3-methyl-, benzoate(94-46-2)
EPA Substance Registry System	1-Butanol, 3-methyl-, benzoate (94-46-2)