Methacrolein
Properties
- Molecular formula
- C4H6O
- Molar mass
- 70.09 g/mol
- Exact mass
- 70.0419 Da
- Density
- 0.849 g/mL (at 25 °C)
- Melting point
- −81 °C
- Boiling point
- 68.4 °C
- Water solubility
- miscible
- logP
- 0.76Crippen estimate
- Polar surface area
- 17.1 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 1
Hazards
Danger
- H225 Highly Flammable liquid and vapor93.5% of notifiers
- H301 Toxic if swallowed93.5% of notifiers
- H311 Toxic in contact with skin91.8% of notifiers
- H314 Causes severe skin burns and eye damage91.8% of notifiers
- H318 Causes serious eye damage63.5% of notifiers
- H330 Fatal if inhaled74.7% of notifiers
- H341 Suspected of causing genetic defects64.1% of notifiers
- H400 Very toxic to aquatic life64.1% of notifiers
- H410 Very toxic to aquatic life with long lasting effects64.1% of notifiers
Aggregated from 170 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P203, P210, P233, P240, P241, P242, P243, P260, P262, P264, P264+P265, P270, P271, P273, P280, P284, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P318, P320, P321, P330, P361+P364, P363, P370+P378, P391, P403+P233, P403+P235, P405, P501
Identifiers
CAS number
78-85-3SMILES
C=C(C)C=OInChIKey
STNJBCKSHOAVAJ-UHFFFAOYSA-NInChI
InChI=1S/C4H6O/c1-4(2)3-5/h3H,1H2,2H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
17 names · show all
- 2-Propenal, 2-methyl-
- Methacrylaldehyde
- 2-Methyl-2-propenal
- Isobutenal
- Methacrylic aldehyde
- α-Methylacrolein
- 2-Methylacrolein
- Methylacrylaldehyde
- Methylacrolein
- 2-Methylpropenal
- 2-Methyl-2-propen-1-al
- 2-Methylenepropanal
- α-Methacrolein
- α-Methylacrylaldehyde
- 2-Formyl-1-propene
- 2-Methacrolein
- NSC 8260
Safety data sheets
One stored sheet lists this compound in section 3, matched by the CAS number 78-85-3. Each row opens the sheet with its composition and PDF.
Work with Methacrolein
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
Isoprene78-79-545 % similar
Polyisoprene9003-31-045 % similar
2-Methyl-1,3-pentadiene1118-58-743 % similar
Methylglyoxal78-98-838 % similar
Ethylacrolein922-63-438 % similar
trans-2-Methyl-2-butenal497-03-035 % similar
3-Methyl-2-butenal107-86-832 % similar
(E)-2-Methyl-2-pentenal14250-96-531 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.