Acetone
Properties
- Molecular formula
- C3H6O
- Molar mass
- 58.08 g/mol
- Exact mass
- 58.0419 Da
- Density
- 0.7899 g/mL (at 20 °C)
- Melting point
- −94.8 °C
- Boiling point
- 56 °C
- pKa
- 20
- Flash point
- -18 °C (closed cup)
- Water solubility
- miscible
- logP
- 0.60Crippen estimate
- Polar surface area
- 17.1 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 0
Hazards
Danger
- H225 Highly Flammable liquid and vaporFlammable liquids
- H319 Causes serious eye irritationSerious eye damage/eye irritation
- H336 May cause drowsiness or dizzinessSpecific target organ toxicity, single exposure; Narcotic effects
Harmonised EU classification (CLP Annex VI), via PubChem.
Precautionary statements
P210, P233, P240, P241, P242, P243, P261, P264+P265, P271, P280, P303+P361+P353, P304+P340, P305+P351+P338, P319, P337+P317, P370+P378, P403+P233, P403+P235, P405, P501
Identifiers
CAS number
67-64-1SMILES
CC(C)=OInChIKey
CSCPPACGZOOCGX-UHFFFAOYSA-NInChI
InChI=1S/C3H6O/c1-3(2)4/h1-2H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
10 names
- 2-Propanone
- Methyl ketone
- Dimethyl ketone
- β-Ketopropane
- Pyroacetic ether
- Propanone
- Dimethylformaldehyde
- NSC 135802
- Taimax
- A 1060
Reactions
Safety data sheets
Work with Acetone
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
Diacetyl431-03-838 % similar
Acetic anhydride108-24-733 % similar
Hexane-2,5-dione110-13-431 % similar
Acetyl bromide506-96-731 % similar
Acetyl iodide507-02-831 % similar
Thioacetic acid507-09-531 % similar
Acetic acid64-19-731 % similar
Acetyl chloride75-36-531 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds