Benzyl isobutyrate

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Structural formula
Structural formula of benzyl isobutyrate
General
Surname Benzyl isobutyrate
other names

Benzyl isobutyrate

Molecular formula C 11 H 14 O 2
Brief description

colorless liquid

External identifiers / databases
CAS number 103-28-6
EC number 203-095-9
ECHA InfoCard 100.002.815
PubChem 7646
ChemSpider 7363
Wikidata Q27286406
properties
Molar mass 178.23 g mol −1
Physical state

liquid

density

1.004 g cm −3

Melting point

<-60 ° C

boiling point

234 ° C

solubility

soluble in ethanol (1 mL in 6 mL 70% ethanol)

Refractive index

1.49 (20 ° C)

safety instructions
GHS labeling of hazardous substances
02 - Highly / extremely flammable

Caution

H and P phrases H: 226
P: no P-phrases
Toxicological data

2850 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

Isobutyric acid benzyl ester is a chemical compound from the group of butyric acid esters .

Occurrence

Benzyl isobutyrate has been detected in mint , spearmint, beer , cherimoya (Annona Cherimolia Mill) and Passiflora edulis .

Extraction and presentation

Benzyl isobutyrate can be prepared from benzyl alcohol and isobutyric acid or by the action of aluminum ethylate on a mixture of benzyl and butyraldehydes . The compound can also be obtained by reacting lead isobutyrate with benzyl chloride .

properties

Benzyl isobutyrate is a colorless liquid. It has a fresh, floral, somewhat jasmine-like , fruity smell and a sweet, strawberry-like taste.

use

Benzyl isobutyrate is used as a flavoring agent.

Individual evidence

  1. ↑ a b c d e f g Entry on benzyl isobutyrate in the GESTIS substance database of the IFA , accessed on January 2, 2019(JavaScript required) .
  2. ↑ a b c d e f g h George A. Burdock: Fenaroli's Handbook of Flavor Ingredients . CRC Press, 2004, ISBN 978-1-4200-3787-6 , pp. 152 ( limited preview in Google Book search).
  3. ↑ a b c Data sheet Benzyl isobutyrate, natural (US), ≥97%, FG from Sigma-Aldrich , accessed on January 2, 2019 ( PDF ).
  4. ^ H. Altenburg, I. Bang, K. Bartelt: Biochemisches Handlexikon I. Volume, 2nd half . Springer-Verlag, 2013, ISBN 978-3-642-51421-0 , pp. 711 ( limited preview in Google Book search).
  5. ↑ D. McGinty, CS Letizia, AM Api: Fragrance material review on benzyl isobutyrate. In: Food and Chemical Toxicology. 50, 2012, p. S420, doi : 10.1016 / j.fct.2012.02.066 .