Structure via PubChem · Public domain (PubChem)
hexan-2-one
Sign in to saveAlso known as 2-Hexanone, Butyl methyl ketone, MBK, Methyl butyl ketone, Methyl n-butyl ketone
2-Hexanone, also known as methyl butyl ketone, MBK, is an organic compoundwith the molecular formula . It is classified as a ketone. The compound is a colorless, water-like liquid that is used as a general solvent and in paints. It dissolves cellulose nitrate, vinyl polymers and copolymers, and natural and synthetic resins. It is recommended as a solvent because it is photochemically inactive; however it has a very low safe threshold limit value.
Chemical data
- Formula
- C6H12O
- Molecular weight
- 100.16 g/mol
- IUPAC name
- hexan-2-one
- SMILES
- CCCCC(=O)C
- InChIKey
- QQZOPKMRPOGIEB-UHFFFAOYSA-N
- XLogP
- 1.4
- 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
Research
403 papers- Crystal structures of 4-bromo-2-formyl-1-tosyl-1H-pyrrole, (E)-4-bromo-2-(2-nitro-vin-yl)-1-tosyl-1H-pyrrole and 6-(4-bromo-1-tosyl-pyrrol-2-yl)-4,4-dimethyl-5-nitro-hexan-2-one.Acta crystallographica. Section E, Crystallographic communications · 2021
- (1S,5R)-1-(3,4-Dichloro-phen-yl)-3-oxa-bicyclo-[3.1.0]hexan-2-one.Acta crystallographica. Section E, Structure reports online · 2009
- Hexacarbon neurotoxicity.Neurobehavioral toxicology and teratology · 1981
- Sensing the Molecular Structures of Hexan-2-one by Internal Rotation and Microwave Spectroscopy.Chemphyschem : a European journal of chemical physics and physical chemistry · 2019
- 1-(Phenylsulfonyl)-3-oxabicyclo[3.1.0]hexan-2-one as a Building Block in Organic Synthesis.The Journal of organic chemistry · 2018
via PubMed
Wikidata facts
- Mass
- 100.088815004
Show 15 more facts
- found in taxon
- Humulus lupulus
- chemical formula
- C₆H₁₂O
- canonical SMILES
- CCCCC(=O)C
- NIOSH Pocket Guide ID
- 0325
- density
- 0.81
- immediately dangerous to life or health
- 6560
- melting point
- -55.5
- boiling point
- 127.6
- vapor pressure
- 11
- flash point
- 77
- solubility
- 2
- upper flammable limit
- 8
- ionization energy
- 9.35
- time-weighted average exposure limit
- 410
- Commons category
- 2-Hexanone
via Wikidata · CC0
~1 min read
Encyclopedic overview
3 sectionsContents
- Safety
- Related compounds
- References
2-Hexanone, also known as methyl butyl ketone, MBK, is an organic compoundwith the molecular formula . It is classified as a ketone. The compound is a colorless, water-like liquid that is used as a general solvent and in paints. It dissolves cellulose nitrate, vinyl polymers and copolymers, and natural and synthetic resins. It is recommended as a solvent because it is photochemically inactive; however it has a very low safe threshold limit value.
==Safety== 2-Hexanone is absorbed through the lungs, orally and dermally and its metabolite, 2,5-hexanedione, is neurotoxic. Animal tests have shown that the neurotoxic effect of 2-hexanone may be potentiated by simultaneous administration of 2-butanone (methyl ethyl ketone, MEK).
Excerpted from Wikipedia’s “hexan-2-one” article, available under the CC BY-SA 4.0 licence.