OCTYL ISOBUTYRATE Chemical Properties

Melting point:

-56°C (estimate)

Boiling point:

245 °C(lit.)

Density 

0.856 g/mL at 25 °C(lit.)

refractive index 

n20/D 1.421(lit.)

FEMA 

2808 | OCTYL ISOBUTYRATE

Flash point:

206 °F

color 

A colourless liquid.

Odor

at 100.00 %. oily green waxy soapy clean fruity creamy

Odor Type

waxy

JECFA Number

192

LogP

4.78

EPA Substance Registry System

Propanoic acid, 2-methyl-, octyl ester (109-15-9)

Safety Information

WGK Germany 

2

RTECS 

UA2466375

Toxicity

Both the acute oral LD₅₀ in rats and the acute dermal LD₅₀ in rabbits exceeded 5 g/kg (Levenstein, 1974).

MSDS

• Language:English Provider:SigmaAldrich

OCTYL ISOBUTYRATE Usage And Synthesis

Description

Octyl isobutyrate has a fruity, fatty fragrance with a soft and humid undertone reminiscent of parsley and fern root with a sweet flavor suggestive of grape. May be prepared by esterification of n-octanol with isobutyric acid.

Chemical Properties

Octyl isobutyrate has a fruity, fatty fragrance with a soft and humid undertone reminiscent of parsley and fern root. It has a sweet flavor suggestive of grape.

Occurrence

Reported found among the volatile components of hop. Also reported found in grapefruit juice and babaco fruit (Carica pentagona Heilborn).

Preparation

Esterification of n-octanol with isobutyric acid.

Definition

ChEBI: Octyl 2-methyl-propionyl is a carboxylic ester.

Aroma threshold values

Detection: 6 ppb

Taste threshold values

Taste characteristics at 30 ppm: creamy, waxy, fruity, earthy and fatty.

Metabolism

Isobutyrates are hydrolysed to materials that are either normally in the diet or readily converted to such materials (Fassett, 1963a). Isobutyric acid occurs normally in the metabolism of valine, being converted to a propionyl group and entering into the glycogenic process (Fassett, 1963b). π-Octanol is largely oxidized in vivo; about 10% is excreted conjugated with glucuronic acid in rabbits. Isomeric octanols may be more highly conjugated; they may also be oxidized to the ketone or may be excreted unchanged (Williams, 1959).

OCTYL ISOBUTYRATE(109-15-9)Related Product Information

• OCTYL BUTYRATE
• NERYL ISOBUTYRATE
• Hexyl isobutyrate
• HEPTYL ISOBUTYRATE
• AMYL ISOBUTYRATE
• LINALYL ISOBUTYRATE
• DODECYL ISOBUTYRATE
• DIMETHYL BENZYL CARBINYL ISOBUTYRATE
• CITRONELLYL ISOBUTYRATE
• METHYL-2-BUTYL-ISO-BUTYRATE
• 3-PHENYLPROPYL ISOBUTYRATE
• ISOBUTYRIC ACID POTASSIUM SALT
• SODIUM ISOBUTYRATE
• Benzyl isobutyrate
• Isobutyric anhydride
• Vanillin isobutyrate
• Butyl isobutyrate
• Ethyl isobutyrylacetate