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W272809

Methyl octanoate

99%, FG

Synonym(s):

Caprylic acid methyl ester, Methyl caprylate

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About This Item

Linear Formula:
CH3(CH2)6COOCH3
CAS Number:
111-11-5
Molecular Weight:
158.24
FEMA Number:
2728
Council of Europe no.:
398
UNSPSC Code:
12164502
PubChem Substance ID:
24901293
Flavis number:
9.117
EC Number:
203-835-0
NACRES:
NA.21
MDL number:
MFCD00009551
Beilstein/REAXYS Number:
1752270
Organoleptic:
green; fruity; citrus; sweet
Grade:
FG, Fragrance grade, Halal, Kosher
Biological source:
synthetic
Agency:
follows IFRA guidelines, meets purity specifications of JECFA
Food allergen:
no known allergens
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biological source

synthetic

Quality Level

300, 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

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).

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Storage Class

10 - Combustible liquids

wgk

WGK 1

flash_point_f

179.6 °F - closed cup

flash_point_c

82 °C - closed cup

ppe

Eyeshields, Gloves, type ABEK (EN14387) respirator filter

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Certificates of Analysis (COA)

Lot/Batch Number
STBK0797
STBJ9866
STBJ5871
STBJ0822
STBH7703

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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)
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
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Global Trade Item Number

SKUGTIN
W272809-9KG-K04061837520549
W272809-SAMPLE-K04061837516238
W272809-1KG-K04061837520532