ISOAMYL HEXANOATE Chemical Properties

Melting point:

-47°C (estimate)

Boiling point:

222 °C(lit.)

Density 

0.86 g/mL at 25 °C(lit.)

refractive index 

n20/D 1.42(lit.)

FEMA 

2075 | ISOAMYL HEXANOATE

Flash point:

185 °F

storage temp. 

Store below +30°C.

Water Solubility 

Insoluble in water

form 

clear liquid

color 

Colorless to Light yellow

Odor

at 100.00 %. fruity banana apple pineapple green

Odor Type

fruity

JECFA Number

46

LogP

4.23

CAS DataBase Reference

2198-61-0(CAS DataBase Reference)

NIST Chemistry Reference

Isopentyl hexanoate(2198-61-0)

EPA Substance Registry System

Hexanoic acid, 3-methylbutyl ester (2198-61-0)

Safety Information

Safety Statements 

24/25

WGK Germany 

2

RTECS 

MO8389300

HS Code 

29159080

HS Code 

29349990

Toxicity

LD50 orally in Rabbit: > 5000 mg/kg LD50 dermal Rabbit > 5000 mg/kg

MSDS

• Language:English Provider:Hexanoic acid 3-methylbutyl ester
• Language:English Provider:SigmaAldrich

ISOAMYL HEXANOATE Usage And Synthesis

Description

Isoamyl hexanoate has a fruity odor. May be prepared by esterification of caproic acid with the isomeric amyl alcohols obtained from fusel oil and other sources.

Chemical Properties

Colorless liquid

Chemical Properties

Isoamyl hexanoate has an apple, pineapple, fruity, green, sweet odor.

Occurrence

Reported found in rind of California orange, apple, apricot, banana, grapefruit peel, grapes, pineapple, strawberry, cheeses, beer, cognac, rum, whiskies, sherry, grape wines, passion fruit, plum, brandy (plum, pear and apple), strawberry and bilberry wine, cherimoya, and mastic gum leaf and fruit oil.

Uses

Isoamyl Hexanoate is a synthetic flavoring agent that is a stable, colorless liquid of fruity odor. It is soluble in alcohol, fixed oils, and mineral oil. Storage should be in glass, tin, or resin-lined containers. It is used in fruit flavors such as banana and pineapple for applications in desserts, candy, and ice cream at 4–22 ppm.

Preparation

By esterification of caproic acid with the isomeric amyl alcohols obtained from fusel oil and other sources.

Definition

ChEBI: A fatty acid ester obtained by the formal condensation of the carboxy group of hexanoic acid (caproic acid) with the alcoholic hydroxy group of 3-methylbutan-1-ol (isoamylol).

Production Methods

Isoamyl hexanoate is prepared by direct esterification of the iso-Amyl alcohol with Caproic ( = Hexanoic) acid under azeotropic conditions.

Taste threshold values

Taste characteristics at 25 ppm: fruity, green, pineapple with a waxy nuance

Solubility in organics

Soluble in alcohol, essential oils, perfume and flavor materials.

ISOAMYL HEXANOATE(2198-61-0)Related Product Information

• Ethyl Hexanoate
• BUTYL OLEATE
• 6-Aminocaproic acid
• Butyl methacrylate
• Hexanoic acid
• Isobutyl methacrylate
• Butyl hexanoate
• Cholesteryl hexanoate
• POLY(N-BUTYL METHACRYLATE)
• tert-Butyl methacrylate
• Tris(trimethylsilyl)phosphate
• Hexyl hexanoate
• Methyl acrylate
• Methyl hexanoate
• Dimethyl succinate
• Allyl hexanoate
• Isoamyl o-hydroxybenzoate
• PHORBOL 12-MYRISTATE 13-ACETATE