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21719

Methyl octanoate

analytical standard

Synonym(s):

Caprylic acid methyl ester, Methyl caprylate, Octanoic acid methyl ester

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About This Item

Linear Formula:
CH3(CH2)6COOCH3
CAS Number:
111-11-5
Molecular Weight:
158.24
UNSPSC Code:
85151701
NACRES:
NA.24
PubChem Substance ID:
329752197
EC Number:
203-835-0
Beilstein/REAXYS Number:
1752270
MDL number:
MFCD00009551
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grade

analytical standard

Quality Segment

100

assay

≥99.5% (GC)

shelf life

limited shelf life, expiry date on the label

technique(s)

HPLC: suitable, gas chromatography (GC): suitable

refractive index

n20/D 1.418

bp

193-194 °C (lit.)

density

0.877 g/mL at 20 °C (lit.)

application(s)

cleaning products
cosmetics
flavors and fragrances
food and beverages
personal care

format

neat

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, also known as methyl caprylate, is an octanoate ester and belongs to the group of fatty acid methyl esters (FAMEs). It is naturally found in Saccharomyces cerevisiae and other organisms.

Application

This analytical standard can also be used as follows:
  • Gas chromatography-tandem differential mobility spectrometry (DMS) based separation and quantification of 16 methyl- and ethyl- fatty acid esters from biodiesel samples
  • Development and validation of a gas chromatography-flame ionization (GC-FID) method to determine fatty acid methyl esters (FAMEs) in beer wort samples following their solid phase extraction and BF3 based methylation
  • Comparative analysis of gas chromatography-combustion-mass spectrometry and gas chromatography-flame ionization detection methods for the determination of fatty acid methyl esters (FAMEs) in biodiesel samples
  • Identification and quantification of fatty acids in walnut and coconut oil samples by gas chromatography-mass spectrometry (GC-MS) after their methyl esterification by BF3-MeOH method
  • Simultaneous determination of fatty acids in bovine colostrum samples by GC-FID after their derivatization to ester forms using an acidic catalyst boron trifluoride

Other Notes

Find a digital Reference Material for this product available on our online platform ChemisTwin® for NMR. You can use this digital equivalent on ChemisTwin® for your sample identity confirmation and compound quantification (with digital external standard). An NMR spectrum of this substance can be viewed and an online comparison against your sample can be performed with a few mouseclicks. Learn more here and start your free trial.
Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.

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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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