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Substance Name: Hydrocinnamic acid
RN: 501-52-0
UNII: 5Q445IN5CU
InChIKey: XMIIGOLPHOKFCH-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C9-H10-O2

Molecular Weight

  • 150.176
 
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Names and Synonyms

Name of Substance

  • 3-Phenylpropionic acid
  • Hydrocinnamic acid

Synonyms

  • 3-Phenylpropanoic acid
  • 3-Phenylpropionic acid
  • 4-09-00-01752 (Beilstein Handbook Reference)
  • AI3-00892
  • Benzenepropanoic acid
  • Benzenepropionic acid
  • Benzylacetic acid
  • beta-Phenylpropionic acid
  • BRN 0907515
  • CCRIS 3199
  • Dihydrocinnamic acid
  • EINECS 207-924-5
  • FEMA No. 2889
  • Hydrocinnamic acid
  • NSC 9272
  • Phenylpropanoic acid
  • UNII-5Q445IN5CU

Systematic Names

  • 3-Phenylpropanoic acid
  • 3-Phenylpropionic acid
  • Benzenepropanoic acid
  • Benzenepropionic acid
  • Hydrocinnamic acid

Superlist Name

  • 3-Phenylpropionic acid

Registry Numbers

CAS Registry Number

  • 501-52-0

FDA UNII

  • 5Q445IN5CU

System Generated Number

  • 0000501520

Structure Descriptors

InChI

InChI=1S/C9H10O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11)

InChIKey

XMIIGOLPHOKFCH-UHFFFAOYSA-N

Smiles

OC(=O)CCc1ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1202mg/kg (1202mg/kg)   Yakugaku Zasshi. Journal of Pharmacy. Vol. 104, Pg. 793, 1984.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 107 deg C   EXP
Boiling Point 279.8 deg C   EXP
pKa Dissociation Constant 4.66 (none) 18 EXP
log P (octanol-water) 1.84 (none)   EXP
Water Solubility 5900 mg/L 20 EXP
Henry's Law Constant 5.87E-08 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 7.38E-12 cm3/molecule-sec 25 EST

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