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Acetic acid octyl ester

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Acetic acid octyl ester Basic information

Product Name:
Acetic acid octyl ester
Synonyms:
  • 1-Octanol acetate
  • 1-octanolacetate
  • 1-Octyl acetate
  • 1-octylacetate
  • Caprylyl acetate
  • caprylylacetate
  • n-Octyl ethanoate
  • Octyl alcohol acetate
CAS:
112-14-1
MF:
C10H20O2
MW:
172.26
EINECS:
203-939-6
Product Categories:
  • A to Z
  • Boswellia carterii
  • C10 to C11
  • Citrus aurantium (Seville orange)
  • Hematology and Histology
  • Humulus lupulus (Hops)
  • Ocimum basilicum (Basil)
  • Stains &amp
  • Stains and Dyes
  • Building Blocks
  • Carbonyl Compounds
  • Chemical Synthesis
  • Dyes
  • Esters
  • Nutrition Research
  • O
  • Organic Building Blocks
  • Phytochemicals by Plant (Food/Spice/Herb)
  • Zingiber officinale (Ginger)
Mol File:
112-14-1.mol
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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℃
refractive index 
n20/D 1.418(lit.)
FEMA 
2806 | OCTYL ACETATE
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)
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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

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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 Preparation Products And Raw materials

Raw materials

Acetic acid octyl esterSupplier

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