260673

Methyl octanoate

99%

• Synonym(s): Caprylic acid methyl ester, Methyl caprylate
• Linear Formula: CH₃(CH₂)₆COOCH₃
• CAS Number: 111-11-5
• Molecular Weight: 158.24
• Beilstein: 1752270
• EC Number: 203-835-0
• MDL number: MFCD00009551
• UNSPSC Code: 12352100
• PubChem Substance ID: 24855765
• NACRES: NA.22

Properties

• Quality Level: 100
• Assay: 99%
• form: liquid
• refractive index: n20/D 1.417 (lit.)
• bp: 194-195 °C (lit.)
• solubility: water: insoluble
• density: 0.877 g/mL at 25 °C (lit.)
• functional group: ester
• 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 is a saturated organic compound that belongs to the class of fatty acid methyl ester (FAMEs). It can be prepared by the esterification of octanoic acid with methanol in the presence of an acid catalyst.

Application

Methyl octanoate can be used as:

• A reactant to prepare C₇ and C₈ hydrocarbons by catalytic decarboxylation/decarbonylation reactions in the presence of Pt/Al₂O₃ catalyst.
• A component of biodiesel −bioethanol surrogate fuel model to study its kinetics of oxidation.

Safety Information

• Storage Class Code: 10 - Combustible liquids
• WGK: WGK 1
• Flash Point(F): 179.6 °F - closed cup
• Flash Point(C): 82 °C - closed cup
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves