W272809

Methyl octanoate

99%, FG

• 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/REAXYS Number: 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

Properties

• 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

Description

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).

Safety Information

• Storage Class: 10 - Combustible liquids
• wgk_germany: 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