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260673

Methyl octanoate

Name: Methyl octanoate
Brand: ALDRICH

99%

Synonym(s):

Caprylic acid methyl ester, Methyl caprylate

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About This Item

Linear Formula:

CH₃(CH₂)₆COOCH₃

CAS Number:

111-11-5

Molecular Weight:

158.24

UNSPSC Code:

12352100

NACRES:

NA.22

PubChem Substance ID:

24855765

EC Number:

203-835-0

Beilstein/REAXYS Number:

1752270

MDL number:

MFCD00009551

Assay:

99%

Form:

liquid

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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/Al₂O₃catalyst.
A component of biodiesel −bioethanol surrogate fuel model to study its kinetics of oxidation.

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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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Experimental vapor pressures (from 1 Pa to 100 kPa) of six saturated Fatty Acid Methyl Esters (FAMEs): Methyl hexanoate, methyl octanoate, methyl decanoate, methyl dodecanoate, methyl tetradecanoate and methyl hexadecanoate

Sahraoui L, et al.

The Journal of Chemical Thermodynamics, 102, 270-275 (2016)

Catalytic deoxygenation of methyl-octanoate and methyl-stearate on Pt/Al 2 O 3

Do Phuong T, et al.

Catalysis Letters, 130(1), 9-18 (2009)

Catalytic deoxygenation of methyl-octanoate and methyl-stearate on Pt/Al₂O₃.

Do PT, et al.

Catalysis Letters, 130(1-2), 9-18 (2009)

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Global Trade Item Number

SKU	GTIN
260673-25G	04061826106976
260673-100G	04061826097366