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W280615

Sigma-Aldrich

Octyl acetate

natural, ≥98%, FCC, FG

Synonym(s):

Acetic acid octyl ester

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About This Item

Linear Formula:
CH3CO2(CH2)7CH3
CAS Number:
112-14-1
Molecular Weight:
172.26
FEMA Number:
2806
EC Number:
203-939-6
Council of Europe no.:
197c
MDL number:
MFCD00009562
UNSPSC Code:
12164502
PubChem Substance ID:
24901185
Flavis number:
9.007
NACRES:
NA.21

grade

FG
Fragrance grade
natural

Quality Level

400

Agency

follows IFRA guidelines
meets purity specifications of JECFA

reg. compliance

EU Regulation 1223/2009
EU Regulation 1334/2008 & 178/2002
FCC
FDA 21 CFR 172.515

vapor density

5.9 (vs air)

Assay

≥98%

autoignition temp.

515 °F

expl. lim.

8.14 %

refractive index

n20/D 1.418 (lit.)

bp

211 °C (lit.)

density

0.867 g/mL at 25 °C (lit.)

application(s)

flavors and fragrances

Documentation

see Safety & Documentation for available documents

food allergen

no known allergens

fragrance allergen

no known allergens

Organoleptic

floral; fruity; sweet

SMILES string

CCCCCCCCOC(C)=O

InChI

1S/C10H20O2/c1-3-4-5-6-7-8-9-12-10(2)11/h3-9H2,1-2H3

InChI key

YLYBTZIQSIBWLI-UHFFFAOYSA-N

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General description

Octyl acetate is a compound found in oranges, grapefruits, and other citrus products. Octyl acetate is used for artificial flavors and in perfumery due to its fruity odor.

Application

Octyl acetate is an ester with a fruity orange flavor employed as a flavoring agent in the food and beverage industries.

WGK

WGK 2

Flash Point(F)

189.1 °F

Flash Point(C)

87.3 °C

Certificates of Analysis (COA)

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Enzyme Research, 2013 (2013)
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Sen DJ
World Journal of Pharmaceutical Research, 4, 01-40 (2015)
W C Daughtrey et al.
Fundamental and applied toxicology : official journal of the Society of Toxicology, 12(2), 313-320 (1989-02-01)
The subchronic toxicity of octyl acetate was assessed following its administration to rats via oral gavage, 5 days per week for 13 weeks. Treated rats received undiluted octyl acetate at doses of 0.1, 0.5, or 1.0 g/kg. Control rats received
C Ursin et al.
American Industrial Hygiene Association journal, 56(7), 651-660 (1995-07-01)
A procedure has been developed for measuring the steady state rate of permeation of commercial solvents through living human skin. To get the most consistent results, it was necessary with some solvents to normalize the solvent permeation rate of a
Shang-mei Shi et al.
Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica, 27(3), 170-173 (2003-05-31)
To analyse the chemical components of the essential oil of Gum olibanum somalilnds and Gum olibanum Ethiopia, and to set up determination methods of their main components. Two kinds of essential oil are identified by GC-MS, and assayed by Gas
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