Butyric acid n- butyl ester

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Structural formula
Structural formula of butyric acid n-butyl ester
General
Surname Butyric acid n-butyl ester
other names
  • Butyl butanate
  • Butyl butyrate
  • n -butyl butyrate
Molecular formula C 8 H 16 O 2
Brief description

colorless liquid with a fruity odor

External identifiers / databases
CAS number 109-21-7
EC number 203-656-8
ECHA InfoCard 100.003.325
PubChem 7983
Wikidata Q2212471
properties
Molar mass 144.21 g mol −1
Physical state

liquid

density

0.87 g cm −3

Melting point

−92 ° C

boiling point

166 ° C

Vapor pressure

4 mbar (20 ° C)

solubility
  • slightly soluble in water (0.50 g l −1 )
  • miscible with ethanol, ether and vegetable oils
Refractive index

1.406 (20 ° C)

safety instructions
GHS hazard labeling from  Regulation (EC) No. 1272/2008 (CLP) , expanded if necessary
02 - Highly / extremely flammable

Caution

H and P phrases H: 226
P: 210
Toxicological data

> 5000 mg kg −1 ( LD 50 ,  rabbit ,  transdermal )

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 n- butyl ester (also butyl butyrate ) is a chemical compound from the group of carboxylic acid esters .

Occurrence

Roman chamomile ( Chamaemelum nobile )

Butyric acid n- butyl ester occurs naturally in the flowers of Roman chamomile .

Extraction and presentation

Butyric acid n -butyl ester can be prepared by reacting butyric acid with n -butanol , or by transesterification of ethyl butyrate in supercritical carbon dioxide are recovered.

properties

Butyric acid n- butyl ester is a volatile, flammable, colorless liquid with a fruity odor that is sparingly soluble in water. The compound dissolves cellulose nitrates , chlorinated rubber , cellulose esters , celluloid and, in addition to natural resins, also metal resinates.

use

Butyric acid n- butyl ester is used as a flavor (smell of pineapple ). The substance is still used as a high boiler in coating materials.

safety instructions

The vapors of butyric acid n- butyl ester can form an explosive mixture with air ( flash point 50 ° C, ignition temperature 454 ° C).

Individual evidence

  1. ↑ a b c d e f g h i j k Entry on butyl butyrate in the GESTIS substance database of the IFA , accessed on February 1, 2016(JavaScript required) .
  2. ↑ a b butyl butyrate data sheet (PDF) from Merck , accessed on July 16, 2013.
  3. ^ A b Richard J. Lewis: Food Additives Handbook . Springer, 1989, ISBN 0-442-20508-2 , pp. 100 ( limited preview in Google Book search).
  4. ↑ Data sheet Butyl butyrate, natural, ≥98%, FCC, FG from Sigma-Aldrich , accessed on July 16, 2013 ( PDF ).
  5. ↑ Entry on butyl butyrate in the Classification and Labeling Inventory of the European Chemicals Agency (ECHA), accessed on August 1, 2016. Manufacturers or distributors can expand the harmonized classification and labeling .
  6. ↑ Eliane Zimmermann: Aromatherapy for nursing and healing professions: course book for training and practice . Georg Thieme Verlag, 2011, ISBN 3-8304-7421-0 , p. 185 ( limited preview in Google Book search).
  7. ↑ Mahesh N. Varma, Giridhar Madras: Kinetics of synthesis of butyl butyrate by esterification and transesterification in supercritical carbon dioxide. In: Journal of Chemical Technology & Biotechnology. 83, 2008, pp. 1135-1144, doi: 10.1002 / jctb.1897 .
  8. ↑ a b Entry on butyl butanoate. In: Römpp Online . Georg Thieme Verlag, accessed on January 2, 2019.