Acrolein
Properties
- Molecular formula
- C3H4O
- Molar mass
- 56.06 g/mol
- Exact mass
- 56.0262 Da
- Density
- 0.8075 g/mL (at 50 °C)
- Melting point
- −88 °C
- Boiling point
- 52.5 °C
- Flash point
- -26.1 °C (closed cup)
- Water solubility
- 200 g/L (20 °C)
- logP
- 0.37Crippen estimate
- Polar surface area
- 17.1 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 1
Hazards
Danger
- H225 Highly Flammable liquid and vaporFlammable liquids
- H300 Fatal if swallowedAcute toxicity, oral
- H311 Toxic in contact with skinAcute toxicity, dermal
- H314 Causes severe skin burns and eye damageSkin corrosion/irritation
- H330 Fatal if inhaledAcute toxicity, inhalation
- H400 Very toxic to aquatic lifeHazardous to the aquatic environment, acute hazard
- H410 Very toxic to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard
Harmonised EU classification (CLP Annex VI, index 605-008-00-3), via PubChem.
Precautionary statements
P210, P233, P240, P241, P242, P243, P260, P262, P264, P270, P271, P273, P280, P284, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P320, P321, P330, P361+P364, P363, P370+P378, P391, P403+P233, P403+P235, P405, P501
Identifiers
CAS number
107-02-8SMILES
C=CC=OInChIKey
HGINCPLSRVDWNT-UHFFFAOYSA-NInChI
InChI=1S/C3H4O/c1-2-3-4/h2-3H,1H2Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
11 names
- 2-Propenal
- Acrylaldehyde
- Acrylic aldehyde
- Allyl aldehyde
- Aqualin
- Propenal
- Prop-2-en-1-al
- 2-Propen-1-one
- NSC 8819
- Magnacide H
- Magnacide B
Reactions
Safety data sheets
One stored sheet lists this compound in section 3, matched by the CAS number 107-02-8. Each row opens the sheet with its composition and PDF.
Work with Acrolein
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
Tanimoto similarity of circular fingerprints over the whole catalogue.