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Substance Name: p-Coumaric acid
RN: 501-98-4
UNII: IBS9D1EU3J
InChIKey: NGSWKAQJJWESNS-ZZXKWVIFSA-N

Notes

  • From the ethyl acetate extract of Drimia robusta.
  • Isolated from Cynomorium songaricum

Molecular Formula

  • C9-H8-O3

Molecular Weight

  • 164.159
 

Classification Codes

  • Anti-Infective Agents
  • Antioxidants
  • Contraceptive Agents
  • Contraceptive Agents, Male
  • Free Radical Scavengers
  • Protective Agents
  • Reproductive Control Agents
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Names and Synonyms

Name of Substance

  • p-Coumaric acid

Synonyms

  • (E)-3-(4-Hydroxyphenyl)-2-propenoic acid
  • (E)-p-Coumaric acid
  • (E)-p-Hydroxycinnamic acid
  • 0-10-00-00297 (Beilstein Handbook Reference)
  • BRN 2207381
  • Naringeninic acid
  • NSC 674321
  • trans-4-Hydroxycinnamic acid
  • trans-p-Coumaric acid
  • trans-p-Coumarinic acid
  • trans-p-Hydroxycinnamic acid
  • UNII-IBS9D1EU3J

Systematic Names

  • 2-Propenoic acid, 3-(4-hydroxyphenyl)-, (2E)-
  • 2-Propenoic acid, 3-(4-hydroxyphenyl)-, (E)- (9CI)
  • Cinnamic acid, p-hydroxy-, (E)-

Registry Numbers

CAS Registry Number

  • 501-98-4

FDA UNII

  • IBS9D1EU3J

System Generated Number

  • 0000501984

Structure Descriptors

InChI

1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+

InChIKey

NGSWKAQJJWESNS-ZZXKWVIFSA-N

Smiles

c1(ccc(O)cc1)\C=C\C(O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1160mg/kg (1160mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION
Gendai no Rinsho. Vol. 3, Pg. 675, 1969.
mouse LD50 oral 2850mg/kg (2850mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION
Gendai no Rinsho. Vol. 3, Pg. 675, 1969.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 214 dec deg C   EXP
pKa Dissociation Constant 4.64 (none) 25 EXP
log P (octanol-water) 1.46 (none)   EXP
Water Solubility 1.83E+04 mg/L 25 EST
Vapor Pressure 1.61E-05 mm Hg 25 EST
Henry's Law Constant 1.35E-12 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 5.17E-11 cm3/molecule-sec 25 EST

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