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Substance Name: Butyric acid, 2-phenoxy-
RN: 13794-14-4
InChIKey: TVSPPYGAFOVROT-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C10-H12-O3

Molecular Weight

  • 180.202
 
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Names and Synonyms

Synonyms

  • 3-06-00-00616 (Beilstein Handbook Reference)
  • alpha-Phenoxybutyric acid
  • BRN 2048912
  • Butanoic acid, 2-phenoxy-
  • DL-2-Phenoxybutyric acid
  • EINECS 237-449-9

Systematic Names

  • 2-Phenoxybutyric acid
  • Butanoic acid, 2-phenoxy-
  • Butyric acid, 2-phenoxy-

Registry Numbers

CAS Registry Number

  • 13794-14-4

System Generated Number

  • 0013794144

Structure Descriptors

InChI

1S/C10H12O3/c1-2-9(10(11)12)13-8-6-4-3-5-7-8/h3-7,9H,2H2,1H3,(H,11,12)

InChIKey

TVSPPYGAFOVROT-UHFFFAOYSA-N

Smiles

C([C@@H](Oc1ccccc1)CC)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous > 1gm/kg (1000mg/kg)   Pharmazie. Vol. 18, Pg. 642, 1963.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 98 deg C   EXP
Boiling Point 258 deg C   EXP
log P (octanol-water) 2.240 (none)   EST
Atmospheric OH Rate Constant 3.43E-11 cm3/molecule-sec 25 EST

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