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Substance Name: Propyl benzoate
RN: 2315-68-6
UNII: VWK210B7WS
InChIKey: UDEWPOVQBGFNGE-UHFFFAOYSA-N

Molecular Formula

  • C10-H12-O2

Molecular Weight

  • 164.2028
 
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Names and Synonyms

Name of Substance

  • Propyl benzoate

Synonyms

  • AI3-01973
  • Benzoic acid, propyl ester
  • EINECS 219-020-8
  • FEMA No. 2931
  • n-Propyl benzoate
  • NSC 229333
  • Propyl benzenecarboxylate
  • Propyl benzoate
  • UNII-VWK210B7WS

Systematic Names

  • Benzoic acid, propyl ester
  • Propyl benzoate

Superlist Name

  • Propyl benzoate

Registry Numbers

CAS Registry Number

  • 2315-68-6

FDA UNII

  • VWK210B7WS

System Generated Number

  • 0002315686

Structure Descriptors

InChI

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

InChIKey

UDEWPOVQBGFNGE-UHFFFAOYSA-N

Smiles

CCCOC(=O)c1ccccc1

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -5.16E+01 deg C   EXP
Boiling Point 211 deg C   EXP
log P (octanol-water) 3.01 (none)   EXP
Water Solubility 351 mg/L 25 EXP
Henry's Law Constant 6.12E-05 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.78E-12 cm3/molecule-sec 25 EST

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