Methyl hexanoate

Structural formula
General
Surname	Methyl hexanoate
other names	Methyl hexanoate; Methyl caproate; Caproic acid methyl ester;
Molecular formula	C 7 H 14 O 2
Brief description	colorless liquid with a fruity odor
External identifiers / databases
EC number	203-425-1
ECHA InfoCard	100.003.115
PubChem	7824
Wikidata	Q3135043
properties
Molar mass	130.19 g mol −1
Physical state	liquid
density	0.88 g cm −3
Melting point	−71 ° C
boiling point	151 ° C
Vapor pressure	3.77 hPa (20 ° C)
solubility	sparingly soluble in water (1.33 g l −1 at 20 ° C) soluble in ethanol;
Refractive index	1.405 (20 ° C)
safety instructions
GHS labeling of hazardous substances Caution
H and P phrases	H: 226
	P: 210
Toxicological data	> 5000 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

Methyl hexanoate is a chemical compound from the group of carboxylic acid esters .

Occurrence

Hexanoic acid methyl ester occurs naturally in pineapples , apples , apricots , orange juice , black currants, guavas , grapes , melons , papaya , raspberries , blackberries , strawberries , potatoes , tomatoes , pepper , rye bread, cheese, butter, milk, hop oil , beer , grape wine, cider , coffee , tea , honey , cloudberry , durian (Durio zibethinus), olives , passion fruit , plum , mushrooms , star fruit , mango , crab apple , licorice , sauerkraut , cherimoya , kiwi fruit , Babacofrucht (Carica pentagona Heilborn), Bourbon vanilla, babaco, Auster, custard apple, nectarine , naranjilla , lettuce , loganberry , Cape gooseberry , monkeys Orange and Chinese quince ago.

Extraction and presentation

Methyl hexanoate can be obtained from the reaction mixture by reacting methyl alcohol with hexanoic acid at 130 to 140 ° C. in the presence of concentrated sulfuric acid and distilling the ester.

properties

Methyl hexanoate is a colorless liquid with a fruity odor that is sparingly soluble in water. The compound has an ethereal odor reminiscent of pineapple.

use

Hexanoic acid methyl ester is used as a flavoring substance . The compound is also used as a standard in gas chromatography .

safety instructions

The vapors of methyl hexanoate can form an explosive mixture with air ( flash point 41 ° C).

Individual evidence

↑ ^a ^b ^c ^d ^e ^f ^g ^h ⁱ ^j ^k ^l Entry on methyl hexanoate in the GESTIS substance database of the IFA , accessed on December 11, 2018(JavaScript required) .
↑ ^a ^b ^c ^d ^e George A. Burdock: Fenaroli's Handbook of Flavor Ingredients . CRC Press, 2016, ISBN 978-1-4200-9086-4 , pp. 1289 ( limited preview in Google Book Search).
↑ Data sheet Methyl hexanoate, ≥99%, FG from Sigma-Aldrich , accessed on December 11, 2018 ( PDF ).
↑ Christina Schönberger: Importance of non-volatile flavors in beer . BoD - Books on Demand, 2004, ISBN 978-3-8334-0693-5 , pp. 75 ( limited preview in Google Book search).

[GESTIS-1] ↑ ^a ^b ^c ^d ^e ^f ^g ^h ⁱ ^j ^k ^l Entry on methyl hexanoate in the GESTIS substance database of the IFA , accessed on December 11, 2018(JavaScript required) .

[George_A._Burdock-2] George A. Burdock: Fenaroli's Handbook of Flavor Ingredients . CRC Press, 2016, ISBN 978-1-4200-9086-4 , pp. 1289 ( limited preview in Google Book Search).

[Sigma-3] Data sheet Methyl hexanoate, ≥99%, FG from Sigma-Aldrich , accessed on December 11, 2018 ( PDF ).

[Christina_Schönberger-4] Christina Schönberger: Importance of non-volatile flavors in beer . BoD - Books on Demand, 2004, ISBN 978-3-8334-0693-5 , pp. 75 ( limited preview in Google Book search).