21719

Methyl octanoate

analytical standard

• Synonym(s): Caprylic acid methyl ester, Methyl caprylate, Octanoic acid methyl ester
• 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

Properties

• 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

Description

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.

Safety Information

• Storage Class: 10 - Combustible liquids
• WGK: WGK 1
• Flash Point (°F): 179.6 °F - closed cup
• Flash Point (°C): 82 °C - closed cup
• PPE (personal protective equipment): Eyeshields, Gloves, type ABEK (EN14387) respirator filter