Butyric acid isopentyl ester

Structural formula
General
Surname	Butyric acid isopentyl ester
other names	Isoamyl butyrate; Isopentyl butyrate; Butyric acid isoamyl ester; (3-methylbutyl) butyrate;
Molecular formula	C 9 H 18 O 2
Brief description	colorless liquid with a fruity odor
External identifiers / databases
EC number	203-380-8
ECHA InfoCard	100.003.074
PubChem	7795
Wikidata	Q49081089
properties
Molar mass	158.24 g mol −1
Physical state	liquid
density	0.88 g cm −3
Melting point	−73 ° C
boiling point	178 ° C
Vapor pressure	1.26 mbar (20 ° C)
solubility	practically insoluble in water (0.5 g · l −1 at 50 ° C) and glycerine; soluble in oils and ethanol;
Refractive index	1.411 (20 ° C)
safety instructions
GHS labeling of hazardous substances Caution
H and P phrases	H: 226-412
	P: 210-262-273
Toxicological data	> 5000 mg kg −1 ( LD 50 , rabbit , transdermal ) ; > 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

Butyric acid isopentyl ester is a chemical compound from the group of butyric acid esters .

Occurrence

James Grieve apple

Butyric acid isopentyl ester occurs naturally in Eucalyptus macarthuri, coconut oil and in various fruits such as apples, apricots, bananas, mango and melons as well as in honey and whiskey.

Extraction and presentation

Butyric acid isopentyl ester can be obtained by esterifying isoamyl alcohols with butyric acid .

properties

Isopentyl butyrate is a slightly volatile, colorless liquid with a fruity odor that is practically insoluble in water. The compound has a pear aroma.

use

Butyric acid isopentyl ester is used as a flavoring in the food industry.

safety instructions

The vapors of isopentyl butyrate can form an explosive mixture with air ( flash point 59 ° C).

Individual evidence

↑ ^a ^b ^c ^d ^e ^f ^g ^h ⁱ ^j ^k ^l ^m Entry on (3-methylbutyl) butyrate in the GESTIS substance database of the IFA , accessed on July 21, 2015(JavaScript required) .
↑ ^a ^b ^c ^d ^e George A. Burdock: Fenaroli's Handbook of Flavor Ingredients, Sixth Edition . CRC Press, 2009, ISBN 978-1-4200-9086-4 , pp. 964 ( limited preview in Google Book search).
↑ Data sheet Isoamyl butyrate, natural, 80% isoamyl butyrate basis, FCC at Sigma-Aldrich , accessed on July 21, 2015 ( PDF ).
^ Bernhard Schrader, Paul Rademacher: Short textbook of organic chemistry . Walter de Gruyter, 2009, ISBN 978-3-11-020360-8 , p. 152 ( limited preview in Google Book search).

[GESTIS-1] ↑ ^a ^b ^c ^d ^e ^f ^g ^h ⁱ ^j ^k ^l ^m Entry on (3-methylbutyl) butyrate in the GESTIS substance database of the IFA , accessed on July 21, 2015(JavaScript required) .

[George_A._Burdock-2] George A. Burdock: Fenaroli's Handbook of Flavor Ingredients, Sixth Edition . CRC Press, 2009, ISBN 978-1-4200-9086-4 , pp. 964 ( limited preview in Google Book search).

[Sigma-3] Data sheet Isoamyl butyrate, natural, 80% isoamyl butyrate basis, FCC at Sigma-Aldrich , accessed on July 21, 2015 ( PDF ).

[Bernhard_Schrader,_Paul_Rademacher-4] Bernhard Schrader, Paul Rademacher: Short textbook of organic chemistry . Walter de Gruyter, 2009, ISBN 978-3-11-020360-8 , p. 152 ( limited preview in Google Book search).