Skip Navigation
ChemIDplus LiteBrowseAdvanced

Substance Name: Cinnamic acid
RN: 621-82-9
InChIKey: WBYWAXJHAXSJNI-UHFFFAOYSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Skin / Eye Irritant

Molecular Formula

  • C9-H8-O2

Molecular Weight

  • 148.1602
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Regulatory Agencies (Superlist Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • Cinnamic acid

Synonyms

  • 2-Propenoic acid, 3-phenyl-
  • 3-Phenyl-2-propenoic acid
  • 3-Phenylacrylic acid
  • 3-Phenylpropenoic acid
  • Acidum cinnamylicum
  • AI3-00891
  • Benzenepropenoic acid
  • Benzylideneacetic acid
  • beta-Phenylacrylic acid
  • BRN 0507757
  • Cinnamic acid
  • Cinnamic acid (natural)
  • Cinnamylic acid
  • EINECS 210-708-3
  • FEMA No. 2288
  • Kyselina skoricove
  • Kyselina skoricove [Czech]
  • NSC 623441
  • NSC 9189
  • Phenylacrylic acid
  • Zimtsaeure
  • Zimtsaeure [German]

Systematic Names

  • 2-Propenoic acid, 3-phenyl-
  • Cinnamic acid

Superlist Name

  • Cinnamic acid

Registry Numbers

CAS Registry Number

  • 621-82-9

Related Registry Numbers

  • 16089-48-8 (potassium salt)
  • 538-42-1 (hydrochloride salt)
  • 63938-16-9 (nickel(+2) salt)

System Generated Number

  • 0000621829

Structure Descriptors

InChI

InChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)

InChIKey

WBYWAXJHAXSJNI-UHFFFAOYSA-N

Smiles

OC(=O)C=Cc1ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LDLo oral > 5gm/kg (5000mg/kg)   Voprosy Pitaniya. Problems of Nutrition. Vol. 33(5), Pg. 48, 1974.
mouse LD50 intraperitoneal 160mg/kg (160mg/kg)   Food and Cosmetics Toxicology. Vol. 16, Pg. 687, 1978.
mouse LD50 intravenous 380mg/kg (380mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 19, Pg. 617, 1969.
mouse LD50 oral 5gm/kg (5000mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 46(1), Pg. 94, 1981.
rat LD50 intraperitoneal 1600mg/kg (1600mg/kg)   Bollettino Chimico Farmaceutico. Vol. 112, Pg. 53, 1973.
rat LD50 oral 2500mg/kg (2500mg/kg)   Food and Cosmetics Toxicology. Vol. 16, Pg. 687, 1978.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 133 deg C   EXP
Boiling Point 300 deg C   EXP
pKa Dissociation Constant 4.44 (none) 25 EXP
log P (octanol-water) 2.13 (none)   EXP
Water Solubility 570 mg/L 25 EXP
Henry's Law Constant 1.71E-08 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.21E-11 cm3/molecule-sec 25 EST

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