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Substance Name: Benzyl butyrate
RN: 103-37-7
UNII: 84L0NDE31F
InChIKey: VONGZNXBKCOUHB-UHFFFAOYSA-N

Molecular Formula

  • C11-H14-O2

Molecular Weight

  • 178.2296
 
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Names and Synonyms

Name of Substance

  • Benzyl butyrate

Synonyms

  • 4-06-00-02266 (Beilstein Handbook Reference)
  • AI3-06120
  • Benzyl butanoate
  • Benzyl butyrate
  • Benzyl butyrate (natural)
  • Benzyl n-butanoate
  • Benzyl n-butyrate
  • Benzylester kyseliny maselne
  • Benzylester kyseliny maselne [Czech]
  • BRN 2047625
  • Butanoic acid, phenylmethyl ester
  • Butyric acid, benzyl ester
  • EINECS 203-105-1
  • FEMA No. 2140
  • NSC 8073
  • Phenylmethyl butanoate
  • Phenylmethyl butyrate
  • UNII-84L0NDE31F

Systematic Names

  • Benzyl butyrate
  • Butanoic acid, phenylmethyl ester
  • Butyric acid, benzyl ester

Superlist Name

  • Benzyl butyrate

Registry Numbers

CAS Registry Number

  • 103-37-7

FDA UNII

  • 84L0NDE31F

System Generated Number

  • 0000103377

Structure Descriptors

InChI

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

InChIKey

VONGZNXBKCOUHB-UHFFFAOYSA-N

Smiles

c1(COC(CCC)=O)ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin > 5gm/kg (5000mg/kg)   Food and Cosmetics Toxicology. Vol. 12, Pg. 827, 1974.
rat LD50 oral 2330mg/kg (2330mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: TREMOR
Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 239 deg C   EXP
log P (octanol-water) 3.060 (none)   EST
Atmospheric OH Rate Constant 8.01E-12 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.