Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Crotonic acid
RN: 3724-65-0
InChIKey: LDHQCZJRKDOVOX-NSCUHMNNSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C4-H6-O2

Molecular Weight

  • 86.0894
 
* 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

  • Crotonic acid

Synonyms

  • 2-Butenoic acid
  • 3-Methylacrylic acid
  • Acrylic acid, 3-methyl-
  • AI3-06287
  • alpha-Butenoic acid
  • alpha-Crotonic acid
  • beta-Methacrylic acid
  • beta-Methylacrylic acid
  • BRN 1098434
  • Crotonic acid
  • EINECS 223-077-4
  • HSDB 2814
  • Kyselina krotonova
  • Kyselina krotonova [Czech]
  • NSC 206946
  • Solid crotonic acid

Systematic Names

  • 2-Butenoic acid
  • Crotonic acid

Superlist Names

  • 2-Butenoic acid
  • Crotonic acid
  • Crotonic acid, liquid
  • Crotonic acid, liquid [UN2823] [Corrosive]
  • Crotonic acid, solid
  • Crotonic acid, solid [UN2823] [Corrosive]
  • UN2823

Registry Numbers

CAS Registry Number

  • 3724-65-0

Other Registry Number

  • 15105-17-6

System Generated Number

  • 0003724650

Structure Descriptors

InChI

1S/C4H6O2/c1-2-3-4(5)6/h2-3H,1H3,(H,5,6)/b3-2+

InChIKey

LDHQCZJRKDOVOX-NSCUHMNNSA-N

Smiles

C(=C\C)/C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 skin 200mg/kg (200mg/kg)   "Patty's Industrial Hygiene and Toxicology," 3rd rev. ed., Clayton, G.D., and F.E. Clayton, eds., New York, John Wiley & Sons, Inc., 1978-82. Vol. 3 originally pub. in 1979; pub. as 2n rev. ed. in 1985.Vol. 2C, Pg. 4953, 1982.
mouse LD50 intraperitoneal 25mg/kg (25mg/kg)   "Patty's Industrial Hygiene and Toxicology," 3rd rev. ed., Clayton, G.D., and F.E. Clayton, eds., New York, John Wiley & Sons, Inc., 1978-82. Vol. 3 originally pub. in 1979; pub. as 2n rev. ed. in 1985.Vol. 2C, Pg. 4953, 1982.
mouse LD50 oral 4800mg/kg (4800mg/kg)   Biochemical Journal. Vol. 34, Pg. 1196, 1940.
mouse LD50 subcutaneous 3590mg/kg (3590mg/kg)   Journal of Pharmacy and Pharmacology. Vol. 21, Pg. 85, 1969.
rabbit LD50 skin 600mg/kg (600mg/kg)   "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986Vol. -, Pg. 309, 1986.
rat LD50 oral 1gm/kg (1000mg/kg)   Journal of Industrial Hygiene and Toxicology. Vol. 26, Pg. 269, 1944.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 72 deg C   EXP
Boiling Point 185 deg C   EXP
pKa Dissociation Constant 4.17 (none) 18 EXP
log P (octanol-water) 0.72 (none)   EXP
Water Solubility 8.60E+04 mg/L 25 EXP
Henry's Law Constant 4.28E-07 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.04E-11 cm3/molecule-sec 25 EST

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