Acetic acid octyl ester

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 &;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
Acetic acid octyl ester Structure
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.)
Fp 187 °F
solubility Insoluble in water
form Liquid
color Clear colorless
Odororange-jasmine odor
Odor Typefloral
explosive limit8.14%
Water Solubility 33.69mg/L at 25℃
JECFA Number130
BRN 1754554
LogP3.81
CAS DataBase Reference112-14-1(CAS DataBase Reference)
NIST Chemistry ReferenceAcetic acid, octyl ester(112-14-1)
EPA Substance Registry SystemAcetic acid, octyl ester (112-14-1)
Safety Information
Risk Statements 36/37/38
Safety Statements 24/25
WGK Germany 2
RTECS AJ1400000
Autoignition Temperature515 °F
TSCA Yes
HS Code 29153900
ToxicityLD50 orl-rat: 3000 mg/kg AMIHBC 10,61,54
MSDS Information
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Acetic acid octyl ester English
SigmaAldrich English
ACROS English
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Acetic acid octyl ester Usage And Synthesis
DescriptionOctyl 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 PropertiesOctyl acetate has a fruity odor reminiscent of neroli and jasmine with a fruity, slightly bitter taste suggestive of peach.
Chemical PropertiesCLEAR COLOURLESS LIQUID
OccurrenceReported 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.
UsesOctyl 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.
Uses1-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.
UsesOctyl acetate may be used as a reference standard for the determination of the analyte in wine samples and orange juice by chromatography based techniques.
PreparationBy acetylation of the corresponding alcohol.
DefinitionChEBI: The acetate ester of octan-1-ol.
Aroma threshold valuesDetection: 23 to 47 ppb
General DescriptionOctyl acetate is one of the major constituents of the essential oils of Heracleum crenatifolium, oranges and grapefruit.
Flammability and ExplosibilityNonflammable
Pharmacologyn-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 ProfileModerately toxic by ingestion. A skin irritant. Combustible liquid. When heated to decomposition it emits acrid smoke and irritating fumes. See also ESTERS.
MetabolismIn 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 materialsSodium carbonate
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