butan-2-one (CHEBI:28398)

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ChEBI Name	butan-2-one

ChEBI ID	CHEBI:28398

Definition	A dialkyl ketone that is a four-carbon ketone carrying a single keto- group at position C-2.

Stars	This entity has been manually annotated by the ChEBI Team.

Secondary ChEBI IDs	CHEBI:6858, CHEBI:25249

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Formula

C4H8O

Net Charge

Average Mass

72.10572

Monoisotopic Mass

72.05751

InChI

InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3

InChIKey

ZWEHNKRNPOVVGH-UHFFFAOYSA-N

SMILES

CCC(C)=O

Roles Classification
Chemical Role(s):	polar aprotic solvent A solvent with a comparatively high relative permittivity (or dielectric constant), greater than ca. 15, and a sizable permanent dipole moment, that cannot donate suitably labile hydrogen atoms to form strong hydrogen bonds.

Biological Role(s):	bacterial metabolite Any prokaryotic metabolite produced during a metabolic reaction in bacteria.

Application(s):	polar aprotic solvent A solvent with a comparatively high relative permittivity (or dielectric constant), greater than ca. 15, and a sizable permanent dipole moment, that cannot donate suitably labile hydrogen atoms to form strong hydrogen bonds.

ChEBI Ontology
Outgoing	butan-2-one (CHEBI:28398) has role bacterial metabolite (CHEBI:76969) butan-2-one (CHEBI:28398) has role polar aprotic solvent (CHEBI:48358) butan-2-one (CHEBI:28398) is a butanone (CHEBI:22951) butan-2-one (CHEBI:28398) is a dialkyl ketone (CHEBI:18044) butan-2-one (CHEBI:28398) is a methyl ketone (CHEBI:51867) butan-2-one (CHEBI:28398) is a volatile organic compound (CHEBI:134179)

Incoming	1,3-dihydroxybutan-2-one (CHEBI:143962) has functional parent butan-2-one (CHEBI:28398) 1-hydroxy-3-methylbutan-2-one (CHEBI:195497) has functional parent butan-2-one (CHEBI:28398) 1-hydroxybutan-2-one (CHEBI:88390) has functional parent butan-2-one (CHEBI:28398) 3-cyano-2-butanone (CHEBI:87599) has functional parent butan-2-one (CHEBI:28398) 4-hydroxybutan-2-one (CHEBI:41268) has functional parent butan-2-one (CHEBI:28398) buten-2-one (CHEBI:48058) has functional parent butan-2-one (CHEBI:28398) butyn-2-one (CHEBI:48060) has functional parent butan-2-one (CHEBI:28398)

IUPAC Name

butan-2-one

Last Modified

23 September 2019