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Substance Name: Benzyl isobutyrate
RN: 103-28-6
UNII: P98PE45V9M
InChIKey: UIKJRDSCEYGECG-UHFFFAOYSA-N

Molecular Formula

  • C11-H14-O2

Molecular Weight

  • 178.23
 
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Names and Synonyms

Name of Substance

  • Benzyl isobutyrate

Synonyms

  • 4-06-00-02266 (Beilstein Handbook Reference)
  • AI3-02944
  • Benzyl 2-methyl propionate
  • Benzyl 2-methylpropanoate
  • Benzyl 2-methylpropionate
  • Benzyl isobutanoate
  • Benzyl isobutyrate
  • Benzyl isobutyrate (natural)
  • Benzylester kyseliny isomaselne
  • Benzylester kyseliny isomaselne [Czech]
  • BRN 1869299
  • EINECS 203-095-9
  • FEMA No. 2141
  • Isobutyric acid, benzyl ester
  • NSC 406201
  • Phenylmethyl 2-methylpropanoate
  • Propanoic acid, 2-methyl-, phenylmethyl ester
  • UNII-P98PE45V9M

Systematic Names

  • Benzyl isobutyrate
  • Isobutyric acid, benzyl ester
  • Propanoic acid, 2-methyl-, phenylmethyl ester

Superlist Name

  • Benzyl isobutyrate

Registry Numbers

CAS Registry Number

  • 103-28-6

FDA UNII

  • P98PE45V9M

System Generated Number

  • 0000103286

Structure Descriptors

InChI

1S/C11H14O2/c1-9(2)11(12)13-8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3

InChIKey

UIKJRDSCEYGECG-UHFFFAOYSA-N

Smiles

c1(COC(C(C)C)=O)ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 2850mg/kg (2850mg/kg)   Food and Cosmetics Toxicology. Vol. 11, Pg. 1023, 1973.