Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Isocrotonic acid
RN: 503-64-0
UNII: 85GQ7GL1UM
InChIKey: LDHQCZJRKDOVOX-IHWYPQMZSA-N

Molecular Formula

  • C4-H6-O2

Molecular Weight

  • 86.0894
 
* denotes mobile formatted website

Links to Resources


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • Isocrotonic acid

Synonyms

  • (Z)-Crotonic acid
  • cis-2-Butenoic acid
  • cis-Crotonic acid
  • EINECS 207-973-2
  • Isocrotonic acid
  • UNII-85GQ7GL1UM

Systematic Names

  • 2-Butenoic acid, (Z)-
  • Isocrotonic acid

Registry Numbers

CAS Registry Number

  • 503-64-0

FDA UNII

  • 85GQ7GL1UM

System Generated Number

  • 0000503640

Structure Descriptors

InChI

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

InChIKey

LDHQCZJRKDOVOX-IHWYPQMZSA-N

Smiles

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

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 15 deg C   EXP
Boiling Point 169 deg C   EXP
pKa Dissociation Constant 4.17 (none) 18 EXP
log P (octanol-water) 0.850 (none)   EST
Water Solubility 1.00E+06 mg/L 20 EXP
Vapor Pressure 0.588 mm Hg 25 EXP
Henry's Law Constant 6.66E-08 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.