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Substance Name: Benzeneacetic acid, alpha-ethyl-, methyl ester
RN: 2294-71-5
InChIKey: PPIQQNDMGXNRFA-UHFFFAOYSA-N

Molecular Formula

  • C11-H14-O2

Molecular Weight

  • 178.23
 
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Names and Synonyms

Synonyms

  • EINECS 218-934-4
  • Methyl alpha-phenylbutyrate

Systematic Names

  • Benzeneacetic acid, alpha-ethyl-, methyl ester
  • Methyl 2-phenylbutyrate

Registry Numbers

CAS Registry Number

  • 2294-71-5

Other Registry Number

  • 127641-43-4

System Generated Number

  • 0002294715

Structure Descriptors

InChI

1S/C11H14O2/c1-3-10(11(12)13-2)9-7-5-4-6-8-9/h4-8,10H,3H2,1-2H3

InChIKey

PPIQQNDMGXNRFA-UHFFFAOYSA-N

Smiles

O=C(OC)[C@@H](c1ccccc1)CC

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 77.5 deg C   EXP
Boiling Point 228 deg C   EXP
log P (octanol-water) 2.990 (none)   EST
Atmospheric OH Rate Constant 6.90E-12 cm3/molecule-sec 25 EST

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