3-Hexanone
Properties
- Molecular formula
- C6H12O
- Molar mass
- 100.16 g/mol
- Exact mass
- 100.0888 Da
- Density
- 0.816 g/mL (at 15 °C)
- Melting point
- −55.5 °C
- Boiling point
- 123.5 °C
- logP
- 1.77Crippen estimate
- Polar surface area
- 17.1 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 3
Hazards
Warning
- H226 Flammable liquid and vapor97.4% of notifiers
Aggregated from 1,452 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
589-38-8SMILES
CCCC(=O)CCInChIKey
PFCHFHIRKBAQGU-UHFFFAOYSA-NInChI
InChI=1S/C6H12O/c1-3-5-6(7)4-2/h3-5H2,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
2 names
- Ethyl propyl ketone
- 3-Oxohexane
Work with 3-Hexanone
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
4-Heptanone123-19-372 % similar
3,6-Octanedione2955-65-972 % similar
3-Heptanone106-35-471 % similar
3-Octanone106-68-368 % similar
Dodecan-3-one1534-27-665 % similar
3-Hexadecanone18787-64-965 % similar
3-Undecanone2216-87-765 % similar
3-Nonanone925-78-065 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.