Methyl octanoate, 98+%

Description

CAS: 111-11-5 | C9H18O2 | 158.241 g/mol

Methyl octanoate-ethanol mixtures constitute the biodiesel-bioethanol surrogate fuel and kinetics of its oxidation has been studied experimentally in a jet-stirred reactor. Deoxygenation of methyl octanoate over alumina-supported Pt has been studied in both the vapor phase in a flow reactor and in the liquid phase in a semi-batch reactor. It is also used to make other chemicals.

This Thermo Scientific Chemicals brand product was originally part of the Alfa Aesar product portfolio. Some documentation and label information may refer to the legacy brand. The original Alfa Aesar product / item code or SKU reference has not changed as a part of the brand transition to Thermo Scientific Chemicals.

Applications
Methyl octanoate-ethanol mixtures constitute the biodiesel-bioethanol surrogate fuel and kinetics of its oxidation has been studied experimentally in a jet-stirred reactor. Deoxygenation of methyl octanoate over alumina-supported Pt has been studied in both the vapor phase in a flow reactor and in the liquid phase in a semi-batch reactor. It is also used to make other chemicals.

Solubility
Insoluble in water.

Notes
Stable under recommended storage conditions. Incompatible with oxidizing agents.

Specifications

Chemical Identifiers

• CAS: 111-11-5
• Molecular Formula: C9H18O2
• Molecular Weight (g/mol): 158.241
• MDL Number: MFCD00009551
• InChI Key: JGHZJRVDZXSNKQ-UHFFFAOYSA-N
• Synonym: methyl caprylate, caprylic acid methyl ester, methyl n-octanoate, octanoic acid, methyl ester, uniphat a20, octanoic acid methyl ester, methyl octylate, methyl caprylate natural, unii-7mo740x6ql, fema no. 2728
• PubChem CID: 8091
• ChEBI: CHEBI:87432
• IUPAC Name: methyl octanoate
• SMILES: CCCCCCCC(=O)OC

• Melting Point: -40°C
• Density: 0.875
• Boiling Point: 193°C to 194°C
• Flash Point: 72°C (161°F)
• Refractive Index: 1.4175
• Quantity: 250 g
• Beilstein: 1752270
• Solubility Information: Insoluble in water.
• Formula Weight: 158.24
• Percent Purity: 99%
• Chemical Name or Material: Methyl octanoate

Safety and Handling

Hazard Category	H227
Precautionary Statement	P210-P280-P370+P378q-P501c
EINECSNumber	203-835-0
RTECSNumber	RH0778000
TSCA	Yes
Recommended Storage	Ambient temperatures

SDS

RUO – Research Use Only