Acetic acid octyl ester Chemical Properties

Melting point:

-38.5°C

Boiling point:

211 °C(lit.)

Density 

0.868

vapor density 

5.9 (vs air)

vapor pressure 

29.1Pa at 25℃

FEMA 

2806 | OCTYL ACETATE

refractive index 

n20/D 1.418(lit.)

Flash point:

187 °F

solubility 

Very slightly soluble in water, soluble in alcohol and oils.

form 

Liquid

Specific Gravity

0.87

color 

Clear colorless

Odor

orange-jasmine odor

explosive limit

8.14%

Odor Type

floral

Water Solubility 

33.69mg/L at 25℃

JECFA Number

130

BRN 

1754554

LogP

3.81

CAS DataBase Reference

112-14-1(CAS DataBase Reference)

NIST Chemistry Reference

Acetic acid, octyl ester(112-14-1)

EPA Substance Registry System

Acetic acid, octyl ester (112-14-1)

Safety Information

Risk Statements 

36/37/38

Safety Statements 

24/25

WGK Germany 

2

RTECS 

AJ1400000

Autoignition Temperature

515 °F

TSCA 

Yes

HS Code 

29153900

Toxicity

LD50 orl-rat: 3000 mg/kg AMIHBC 10,61,54

MSDS

• Language:English Provider:Acetic acid octyl ester
• Language:English Provider:ACROS
• Language:English Provider:SigmaAldrich
• Language:English Provider:ALFA

Acetic acid octyl ester Usage And Synthesis

Description

Octyl acetate has a fruity odor reminiscent of neroli and jasmine with a fruity, slightly bitter taste suggestive of peach. May be synthesized by acetylation of the corresponding alcohol.

Chemical Properties

Octyl acetate has a fruity odor reminiscent of neroli and jasmine with a fruity, slightly bitter taste suggestive of peach.

Chemical Properties

CLEAR COLOURLESS LIQUID

Occurrence

Reported found in the essential oils of green tea, Heracleum giganteum L., orange peel, lemon peel, grapefruit peel, mandarin peel, Satsuma mandarin peel and pummelo peel. Also reported found in Ocimum basilicum varieties, wheaten bread, cheddar cheese, red wine, sparkling wine and nectarine.

Uses

Octyl Acetate is a flavoring agent that is a colorless liquid with a fruity odor resembling orange and jasmine. It is miscible in alcohol, oils, and other organic solvents, and insoluble in water. It is obtained by chemical synthesis.

Uses

1-Octyl Acetate is a component in essential oil extracts from Arnebia linearifolia which has been seen to promote antioxidant and antimicrobial activity. It is also a flavour ester contributing to products and foods requiring a fruity characteristic. Dyes and metabolites.

Uses

Octyl acetate may be used as a reference standard for the determination of the analyte in wine samples and orange juice by chromatography based techniques.

Preparation

By acetylation of the corresponding alcohol.

Definition

ChEBI: The acetate ester of octan-1-ol.

Aroma threshold values

Detection: 23 to 47 ppb

General Description

Octyl acetate is one of the major constituents of the essential oils of Heracleum crenatifolium, oranges and grapefruit.

Flammability and Explosibility

Non flammable

Pharmacology

n-Octyl acetate inhibited acetylcholine at 14°C in isolated guinea-pig ileum by combining with the acetylcholine receptor on the muscle (Takagi & Takayanagi, 1966).

Safety Profile

Moderately toxic by ingestion. A skin irritant. Combustible liquid. When heated to decomposition it emits acrid smoke and irritating fumes. See also ESTERS.

Metabolism

In tests of the availability of energy from various compounds added to the diet, tt-octyl acetate was utilized satisfactorily by chicks and by rats

Acetic acid octyl ester(112-14-1)Related Product Information

• Geranyl acetate
• DL-sec-Butyl acetate
• Isopropyl acetate
• Isoamyl acetate
• Vinyl acetate
• Allyl acetate
• Propyl acetate
• NONYL ACETATE
• PENTAFLUOROPHENYL ACETATE
• LUTETIUM ACETATE
• RUBIDIUM ACETATE
• Sodium acetate
• Silver acetate
• DODECYL ACETATE
• COPPER(I) ACETATE
• Chromic acetate
• MYRISTYL ACETATE
• Hydrazine acetate