3-Hydroxy-3-methyl-2-butanone
Properties
- Molecular formula
- C5H10O2
- Molar mass
- 102.13 g/mol
- Exact mass
- 102.0681 Da
- Density
- 0.9632 g/mL (at 21 °C)
- Melting point
- 84–85 °C
- Boiling point
- 140.5 °C
- logP
- 0.35Crippen estimate
- Polar surface area
- 37.3 Ų
- H-bond donors / acceptors
- 1 / 2
- Rotatable bonds
- 1
Hazards
Warning
- H226 Flammable liquid and vapor100% of notifiers
Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, P501
Identifiers
CAS number
115-22-0SMILES
CC(=O)C(C)(C)OInChIKey
BNDRWEVUODOUDW-UHFFFAOYSA-NInChI
InChI=1S/C5H10O2/c1-4(6)5(2,3)7/h7H,1-3H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
12 names
- 2-Butanone, 3-hydroxy-3-methyl-
- 2-Hydroxy-2-methyl-3-butanone
- 3-Methylacetoin
- Dimethylacetylcarbinol
- 2-Methyl-2-hydroxy-3-butanone
- Methylacetoin
- 1-Hydroxy-1-methylethyl methyl ketone
- 3-Hydroxy-3-methylbutanone
- Acetyldimethylcarbinol
- 3-Methyl-3-hydroxy-2-butanone
- NSC 5576
- 2-Methyl-3-oxobutan-2-ol
Work with 3-Hydroxy-3-methyl-2-butanone
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
2-Hydroxyisobutyric acid594-61-648 % similar
Pinacolone75-97-848 % similar
Methyl alpha-hydroxyisobutyrate2110-78-342 % similar
1-(1-Methylcyclopropyl)ethanone1567-75-542 % similar
1-Acetylcyclohexanol1123-27-941 % similar
Trifluoroacetone421-50-139 % similar
1,1,1-Trichloroacetone918-00-339 % similar
Ethyl 2-hydroxyisobutyrate80-55-738 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.