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Substance Name: Phenyl butyrate
RN: 4346-18-3
UNII: R9K49A127H
InChIKey: IGVPBCZDHMIOJH-UHFFFAOYSA-N

Molecular Formula

  • C10-H12-O2

Molecular Weight

  • 164.203
 
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Names and Synonyms

Name of Substance

  • Phenyl butyrate

MeSH Heading

  • Butyrates

Synonyms

  • AI3-11761
  • EINECS 224-405-9
  • UNII-R9K49A127H

Systematic Names

  • Butanoic acid, phenyl ester
  • Phenyl butyrate

Registry Numbers

CAS Registry Number

  • 4346-18-3

FDA UNII

  • R9K49A127H

System Generated Number

  • 0004346183

Structure Descriptors

InChI

1S/C10H12O2/c1-2-6-10(11)12-9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3

InChIKey

IGVPBCZDHMIOJH-UHFFFAOYSA-N

Smiles

c1(OC(CCC)=O)ccccc1

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 225 deg C   EXP
log P (octanol-water) 2.570 (none)   EST
Atmospheric OH Rate Constant 3.68E-12 cm3/molecule-sec 25 EST

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