Structure via PubChem · Public domain (PubChem)
3-hexanone
Sign in to saveAlso known as Ethyl propyl ketone, Hexan-3-one, 3-Oxohexane
3-Hexanone (ethyl propyl ketone) is an organic compound with the formula C6H12O. It is a ketone used as a solvent and as a chemical intermediate. It is highly flammable. It has roles as a human urinary metabolite, a human xenobiotic metabolite, an insect trap, a plant metabolite and a bacterial xenobiotic metabolite. It derives from a hydride of hexane.
Chemical data
- Formula
- C6H12O
- Molecular weight
- 100.16 g/mol
- IUPAC name
- hexan-3-one
- SMILES
- CCCC(=O)CC
- InChIKey
- PFCHFHIRKBAQGU-UHFFFAOYSA-N
- XLogP
- 1.2
- Polar surface area
- 17.1 Ų
- H-bond donors
- 0
- H-bond acceptors
- 1
- Formal charge
- 0
via PubChem
Drug data · ChEMBL
- Molecule type
- Small molecule
via ChEMBL · EBI
Wikidata facts
- Mass
- 100.089
Show 5 more facts
- chemical formula
- C₆H₁₂O
- canonical SMILES
- CCCC(=O)CC
- Commons category
- 3-Hexanone
- melting point
- -55.0
- found in taxon
- Monascus purpureus
via Wikidata · CC0
~1 min read
Encyclopedic overview
4 sectionsContents
- Preparation
- Health effects
- Isomers
- References
3-Hexanone (ethyl propyl ketone) is an organic compound with the formula C6H12O. It is a ketone used as a solvent and as a chemical intermediate. It is highly flammable. It has roles as a human urinary metabolite, a human xenobiotic metabolite, an insect trap, a plant metabolite and a bacterial xenobiotic metabolite. It derives from a hydride of hexane.
According to IFF, it was described as having sweet, fruity, waxy, grape organoleptic properties.
Excerpted from Wikipedia’s “3-hexanone” article, available under the CC BY-SA 4.0 licence.