| Identification | More | [Name]
Acetic acid octyl ester | [CAS]
112-14-1 | [Synonyms]
ACETATE C-8
ACETIC ACID N-OCTYL ESTER
Acetic acid，octyl ester
FEMA 2806
N-OCTANYL ACETATE
N-OCTYL ACETATE
OCTANYL ACETATE
OCTYL ACETATE
1-Octanol acetate
1-octanolacetate
1-Octyl acetate
1-octylacetate
Caprylyl acetate
caprylylacetate
n-Octyl ethanoate
Octyl alcohol acetate
octylacetate(non-specificname)
octylalcoholacetate
Octylethanoate
OCTYL ACETATE FCC | [EINECS(EC#)]
203-939-6 | [Molecular Formula]
C10H20O2 | [MDL Number]
MFCD00009562 | [Molecular Weight]
172.26 | [MOL File]
112-14-1.mol |
| Chemical Properties | Back Directory | [Appearance]
CLEAR COLOURLESS LIQUID | [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 | [refractive index ]
n20/D 1.418(lit.)
| [Fp ]
187 °F
| [solubility ]
Insoluble in water | [form ]
Liquid | [color ]
Clear colorless | [Specific Gravity]
0.87 | [Odor]
orange-jasmine odor | [biological source]
synthetic | [explosive limit]
8.14% | [Odor Type]
floral | [Water Solubility ]
33.69mg/L at 25℃ | [Detection Methods]
GC,NMR | [JECFA Number]
130 | [BRN ]
1754554 | [Henry's Law Constant]
8.6×10-3 mol/(m3Pa) at 25℃, Yaws (2003) | [Cosmetics Ingredients Functions]
PERFUMING | [InChI]
1S/C10H20O2/c1-3-4-5-6-7-8-9-12-10(2)11/h3-9H2,1-2H3 | [InChIKey]
YLYBTZIQSIBWLI-UHFFFAOYSA-N | [SMILES]
CCCCCCCCOC(C)=O | [LogP]
3.81 | [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. | [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 Data | Back Directory | [Symbol(GHS) ]
  
GHS07,GHS08,GHS09 | [Signal word ]
Danger | [Hazard statements ]
H227-H303 | [Precautionary statements ]
P210e-P280a-P370+P378a-P403+P235-P501a | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S24/25:Avoid contact with skin and eyes . | [WGK Germany ]
2 | [RTECS ]
AJ1400000 | [Autoignition Temperature]
515 °F | [TSCA ]
Yes | [REACH Registrations]
Inactive | [HS Code ]
29153900 | [Storage Class]
10 - Combustible liquids | [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. | [Toxicity]
LD50 orl-rat: 3000 mg/kg AMIHBC 10,61,54 |
| Hazard Information | Back Directory | [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]
CLEAR COLOURLESS LIQUID | [Chemical Properties]
Octyl acetate has a fruity odor reminiscent of neroli and jasmine with a fruity, slightly bitter taste suggestive of peach. | [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. | [Definition]
ChEBI: The acetate ester of octan-1-ol. | [Preparation]
By acetylation of the corresponding alcohol. | [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]
Nonflammable | [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). | [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 |
|
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