Crotonic acid
Properties
- Molecular formula
- C4H6O2
- Molar mass
- 86.09 g/mol
- Exact mass
- 86.0368 Da
- Density
- 1.018 g/mL (at 15 °C)
- Melting point
- 72 °C
- Boiling point
- 184.7 °C
- pKa
- 4.817 (25 °C)
- Flash point
- 87.8 °C (open cup)
- Water solubility
- 555 g/L (20 °C)
- logP
- 0.65Crippen estimate
- Polar surface area
- 37.3 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 1
- Double bonds
- EE/Z, in SMILES order
Hazards
Danger
- H302 Harmful if swallowed95.3% of notifiers
- H312 Harmful in contact with skin90.4% of notifiers
- H314 Causes severe skin burns and eye damage91.7% of notifiers
- H318 Causes serious eye damage87.3% of notifiers
Aggregated from 1,826 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P405, P501
Identifiers
CAS number
107-93-7SMILES
C/C=C/C(=O)OInChIKey
LDHQCZJRKDOVOX-NSCUHMNNSA-NInChI
InChI=1S/C4H6O2/c1-2-3-4(5)6/h2-3H,1H3,(H,5,6)/b3-2+Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
9 names
- 2-Butenoic acid, (2E)-
- Crotonic acid, (E)-
- 2-Butenoic acid, (E)-
- (2E)-2-Butenoic acid
- trans-Crotonic acid
- (E)-Crotonic acid
- trans-2-Butenoic acid
- (E)-2-Butenoic acid
- NSC 8751
Work with Crotonic acid
Predict the NMR spectrum1H and 13C shifts with multiplicities
Make a solutionWhat to weigh for any molarity and volume
Check drug-likenessLipinski, Veber and lead-likeness
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
Similar compounds
Sorbic acid110-44-167 % similar
Maleic acid110-16-765 % similar
Fumaric acid110-17-865 % similar
Poly(maleic acid)26099-09-265 % similar
Cis,cis-Muconic acid1119-72-858 % similar
Muconic acid3588-17-858 % similar
4-Methyl-2-pentenoic acid10321-71-850 % similar
trans-2-Pentenoic acid13991-37-250 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.