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W272809

Sigma-Aldrich

Methyl octanoate

99%, FG

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Synonym(s):
Caprylic acid methyl ester, Methyl caprylate
Linear Formula:
CH3(CH2)6COOCH3
CAS Number:
111-11-5
Molecular Weight:
158.24
FEMA Number:
2728
Beilstein:
1752270
EC Number:
203-835-0
Council of Europe no.:
398
MDL number:
MFCD00009551
UNSPSC Code:
12164502
PubChem Substance ID:
24901293
Flavis number:
9.117
NACRES:
NA.21

biological source

synthetic

Quality Level

400

grade

FG
Fragrance grade
Halal
Kosher

Agency

follows IFRA guidelines
meets purity specifications of JECFA

reg. compliance

EU Regulation 1223/2009
EU Regulation 1334/2008 & 872/2012
FDA 21 CFR 172.515

Assay

99%

refractive index

n20/D 1.417 (lit.)

bp

194-195 °C (lit.)

density

0.877 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

green; fruity; citrus; sweet

SMILES string

CCCCCCCC(=O)OC

InChI

1S/C9H18O2/c1-3-4-5-6-7-8-9(10)11-2/h3-8H2,1-2H3

InChI key

JGHZJRVDZXSNKQ-UHFFFAOYSA-N

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General description

Methyl octanoate has been identified in the volatile flavor fractions of blue cheese and soursop.

Application


  • Efficient identification of raw and ripe tung oil using headspace GC-MS.: This research demonstrates the use of headspace gas chromatography-mass spectrometry for identifying components, including methyl octanoate, in tung oil. The method offers applications in quality control and authentication of oil products (Xu et al., 2021).

  • Chemical kinetic study of the oxidation of a biodiesel-bioethanol surrogate fuel: methyl octanoate-ethanol mixtures.: The paper investigates the oxidation kinetics of methyl octanoate and ethanol mixtures, providing insights into their use as biofuels. This study is significant for the development of renewable energy sources (Togbe et al., 2010).

WGK

WGK 1

Flash Point(F)

179.6 °F

Flash Point(C)

82 °C

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

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Certificates of Analysis (COA)

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Volatile flavor components of soursop (Annona muricata).
MacLeod AJ & Pieris NM.
Journal of Agricultural and Food Chemistry, 29(3), 488-490 (1981)
Quantitation, evaluation, and effect of certain microorganisms on flavor components of blue cheese.
Anderson DF & Day EA.
Journal of Agricultural and Food Chemistry, 14(3), 241-245 (1966)
A A Elliott et al.
Biochimica et biophysica acta, 978(2), 337-340 (1989-01-30)
The effects of n-alkanes (n-pentane to n-octane), n-alkanols (n-pentanol to n-undecanol) and two carboxylic esters (methyl pentanoate and methyl octanoate) on the conductance of squid giant axons in a high potassium, zero sodium bathing solution have been examined. Sodium and
T J Gianfagna et al.
Life support & biosphere science : international journal of earth space, 5(2), 255-261 (2001-09-07)
Given the constraints on physical space, energy supply, and labor availability, crop production efficiency must be maximized if a sustainable supply of food is to be produced on lunar and planetary space stations. In the modules designed for plant growth
C Togbé et al.
The journal of physical chemistry. A, 114(11), 3896-3908 (2010-03-20)
There is a growing interest for using bioethanol-biodiesel fuel blends in diesel engines but no kinetic data and model for their combustion were available. Therefore, the kinetics of oxidation of a biodiesel-bioethanol surrogate fuel (methyl octanoate-ethanol) was studied experimentally in
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