Methyl crotonate
Properties
- Molecular formula
- C5H8O2
- Molar mass
- 100.12 g/mol
- Exact mass
- 100.0524 Da
- Melting point
- −42 °C
- Boiling point
- 121 °C
- logP
- 0.74Crippen estimate
- Polar surface area
- 26.3 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 1
- Double bonds
- EE/Z, in SMILES order
Hazards
Danger
- H225 Highly Flammable liquid and vapor99.4% of notifiers
- H315 Causes skin irritation34.1% of notifiers
- H318 Causes serious eye damage49.4% of notifiers
- H319 Causes serious eye irritation50.6% of notifiers
- H335 May cause respiratory irritation33.5% of notifiers
Aggregated from 170 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501
Identifiers
CAS number
623-43-8SMILES
C/C=C/C(=O)OCInChIKey
MCVVUJPXSBQTRZ-ONEGZZNKSA-NInChI
InChI=1S/C5H8O2/c1-3-4-5(6)7-2/h3-4H,1-2H3/b4-3+Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
14 names · show all
- Methyl E-crotonate
- 2-Butenoic acid, methyl ester, (2E)-
- Crotonic acid, methyl ester, (E)-
- 2-Butenoic acid, methyl ester, (E)-
- trans-2-Butenoic acid methyl ester
- Methyl trans-crotonate
- Methyl trans-2-butenoate
- Methyl E-propene-1-carboxylate
- (E)-Crotonic acid methyl ester
- Methyl (E)-2-butenoate
- (E)-2-Butenoic acid methyl ester
- (2E)-2-Butenoic acid methyl ester
- (E)-Methyl but-2-enoate
- Methyl (E)-crotonate
Work with Methyl crotonate
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
Similar compounds
Dimethyl maleate624-48-674 % similar
Dimethyl fumarate624-49-774 % similar
Methyl 2,4-hexadienoate1515-80-670 % similar
Crotonic anhydride623-68-762 % similar
Crotonic anhydride78957-07-062 % similar
Methyl 3-methoxyacrylate34846-90-758 % similar
Methyl trans-β-methoxyacrylate5788-17-058 % similar
Monomethyl fumarate2756-87-854 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds