Isoamyl benzoate Chemical Properties

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

Odor Type

balsamic

JECFA Number

857

Merck 

14,5113

Dielectric constant

5.1（20℃）

LogP

4.272 at 25℃

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)

Safety Information

WGK Germany 

2

RTECS 

DH3078000

HS Code 

2916.31.5000

Toxicity

The acute oral LD₅₀ value was reported as 6.33 g/kg in the rat . The acute dermal LD₅₀ for sample no. 71-24 was reported to be > 5 g/kg in the rabbit

MSDS

• Language:English Provider:SigmaAldrich

Isoamyl benzoate Usage And Synthesis

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

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

Chemical Properties

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

Occurrence

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

Uses

In perfumery and cosmetics.

Definition

ChEBI: 3-Methylbutyl benzoate is a benzoate ester.

Preparation

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

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).

Isoamyl benzoate(94-46-2)Related Product Information

• 3-Methyl-1-butanol
• Emamectin benzoate
• Denatonium Benzoate Anhydrous
• Isoamyl butyrate
• Sodium benzoate
• Benzyl benzoate
• Isoamyl o-hydroxybenzoate
• Benzoic acid
• Isoamyl propionate
• Isoamyl nitrite
• BIS(3,5,5-TRIMETHYLHEXYL) PHTHALATE
• Menthyl anthranilate
• Picroside II
• Anthranilic acid
• Androstanolone 17-benzoate
• SYROSINGOPINE
• MONO-(1S)-(+)-MENTHYL PHTHALATE
• 4-HYDROXYBENZOIC ACID ISOAMYL ESTER