Methyl octanoate

Structural formula
General
Surname	Methyl octanoate
other names	Methyl octanoate Caprylic acid methyl ester
Molecular formula	C 9 H 18 O 2
Brief description	colorless liquid
External identifiers / databases
CAS number 111-11-5 EC number 203-835-0 ECHA InfoCard 100.003.487 PubChem 8091 Wikidata Q3348789
properties
Molar mass	158.24 g mol −1
Physical state	liquid
density	0.88 g cm −3
Melting point	−37 ° C
boiling point	193 ° C
Vapor pressure	1.33 hPa (34.2 ° C)
solubility	practically insoluble in water (64.4 mg l −1 at 20 ° C) very soluble in diethyl ether and ethanol
Refractive index	1.4175 (20 ° C)
safety instructions
GHS labeling of hazardous substances no GHS pictograms H and P phrases H: no H-phrases P: no P-phrases
Toxicological data	> 2000 mg kg −1 ( LD 50 ,  rat ,  oral )
As far as possible and customary, SI units are used. Unless otherwise noted, the data given apply to standard conditions . Refractive index: Na-D line , 20 ° C

Octanoic acid methyl ester is a chemical compound from the group of carboxylic acid esters .

Occurrence

The compound occurs naturally in hop oils .

Extraction and presentation

Methyl octanoate can be obtained by esterifying caprylic acid with methanol or alcoholysis of coconut oil .

properties

Octanoic acid methyl ester is a flammable, hardly inflammable, colorless liquid that is practically insoluble in water.

use

Methyl octanoate is used as an intermediate in the synthesis of other compounds (such as detergents , emulsifiers , wetting agents , stabilizers , plasticizers , resins ) and as a flavoring agent.

safety instructions

The vapors of methyl octanoate can form an explosive mixture with air ( flash point 69 ° C).

Individual evidence

1. ↑ ^{a b c d e f g h i j k} Entry on methyl octanoate in the GESTIS substance database of the IFA , accessed on December 4, 2018(JavaScript required) .
2. ↑ David R. Lide: CRC Handbook of Chemistry and Physics A Ready-reference Book of Chemical and Physical Data . CRC Press, 1995, ISBN 978-0-8493-0595-5 , pp. 396 ( limited preview in Google Book search).
3. ↑ ^{a b} Data sheet Methyl octanoate, 98 +% from AlfaAesar, accessed on December 4, 2018 ( PDF )(JavaScript required) .
4. ↑ Data sheet for methyl octanoate (PDF) from Merck , accessed on December 4, 2018.
5. ↑ Manfred V. Singer, Stephan Teyssen: Alcohol and alcohol-related diseases, basics - diagnostics - therapy . Springer-Verlag, 2005, ISBN 978-3-540-26446-0 , pp. 68 ( limited preview in Google Book search).
6. ↑ ^{a b} Entry on methyl octanoate in the Hazardous Substances Data Bank , accessed on December 4, 2018.