Methyl isopropyl ketone
Properties
- Molecular formula
- C5H10O
- Molar mass
- 86.13 g/mol
- Exact mass
- 86.0732 Da
- Density
- 0.8 g/mL
- Melting point
- −92 °C
- Boiling point
- 93 °C
- Flash point
- -1 °C (closed cup)
- Water solubility
- 6 g/L (20 °C)
- logP
- 1.23Crippen 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
Harmonised EU classification (CLP Annex VI), via PubChem.
Precautionary statements
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, P501
Identifiers
CAS number
563-80-4SMILES
CC(=O)C(C)CInChIKey
SYBYTAAJFKOIEJ-UHFFFAOYSA-NInChI
InChI=1S/C5H10O/c1-4(2)5(3)6/h4H,1-3H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
7 names
- 2-Butanone, 3-methyl-
- 3-Methyl-2-butanone
- Isopropyl methyl ketone
- 2-Acetylpropane
- 2-Methylbutan-3-one
- NSC 9379
- MIPK
Reactions
Work with Methyl isopropyl ketone
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
3-Methyl-2,4-pentanedione815-57-656 % similar
3-Ethyl-2,4-pentanedione1540-34-748 % similar
3-Mercapto-2-butanone40789-98-848 % similar
3-Chloro-2-butanone4091-39-848 % similar
Acetoin513-86-048 % similar
3-Bromo-2-butanone814-75-548 % similar
3-Chloro-2,4-pentanedione1694-29-745 % similar
1,1-Difluoro-2-propanone431-05-045 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds