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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
 
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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

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.