Methional
Properties
- Molecular formula
- C4H8OS
- Molar mass
- 104.17 g/mol
- Exact mass
- 104.0296 Da
- Density
- 1.03 g/mL
- Melting point
- −75 °C
- Boiling point
- 165 °C
- Flash point
- 61.1 °C (closed cup)
- Water solubility
- 163 g/L (25 °C)
- logP
- 0.94Crippen estimate
- Polar surface area
- 17.1 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 3
Hazards
Danger
- H226 Flammable liquid and vapor14% of notifiers
- H302 Harmful if swallowed99.7% of notifiers
- H311 Toxic in contact with skin97.3% of notifiers
- H315 Causes skin irritation97.7% of notifiers
- H317 May cause an allergic skin reaction97.3% of notifiers
- H318 Causes serious eye damage97% of notifiers
- H332 Harmful if inhaled82.8% of notifiers
- H412 Harmful to aquatic life with long lasting effects82.5% of notifiers
Aggregated from 1,661 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P261, P262, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P332+P317, P333+P317, P361+P364, P362+P364, P370+P378, P403+P235, P405, P501
Identifiers
CAS number
3268-49-3SMILES
CSCCC=OInChIKey
CLUWOWRTHNNBBU-UHFFFAOYSA-NInChI
InChI=1S/C4H8OS/c1-6-4-2-3-5/h3H,2,4H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
15 names · show all
- Propanal, 3-(methylthio)-
- Propionaldehyde, 3-(methylthio)-
- 3-(Methylthio)propanal
- β-(Methylthio)propionaldehyde
- 3-(Methylthio)propionaldehyde
- β-(Methylmercapto)propionaldehyde
- 3-(Methylmercapto)propionaldehyde
- β-(Methylthio)propionic aldehyde
- NSC 15874
- 3-Methylsulfanylpropionaldehyde
- 3-Methylthio-1-propanal
- 3-Methylthiopropanaldehyde
- 3-(Methylmercapto)propanal
- 3-Methylsulfanylpropanal
- 3-Methylthiopropan-1-one
Work with Methional
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
(Methylthio)acetaldehyde23328-62-352 % similar
Succinaldehyde638-37-944 % similar
Butyraldehyde123-72-841 % similar
Hexanedial1072-21-540 % similar
Glutaraldehyde111-30-840 % similar
Pentanal110-62-338 % similar
Methyl propyl sulphide3877-15-436 % similar
Hexanal66-25-136 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.