CHEBI:28398 - butan-2-one

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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 0
Average Mass 72.10572
Monoisotopic Mass 72.058
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.
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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 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 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
Synonyms Sources
2-Butanon ChEBI
2-Butanone KEGG COMPOUND
3-butanone ChemIDplus
Äthylmethylketon ChemIDplus
butan-2-one UniProt
butanone NIST Chemistry WebBook
butanone 2 NIST Chemistry WebBook
C2H5COCH3 NIST Chemistry WebBook
éthyl méthyl cétone ChemIDplus
Ethyl methyl ketone KEGG COMPOUND
ethyl(methyl) ketone ChEBI
ethylmethyl ketone ChEBI
Ethylmethylketon NIST Chemistry WebBook
meetco UM-BBD
MEK KEGG COMPOUND
methyl acetone ChemIDplus
méthyl éthyl cétone ChEBI
Methyl ethyl ketone KEGG COMPOUND
methyl(ethyl) ketone ChEBI
methylacetone NIST Chemistry WebBook
methylethyl ketone ChemIDplus
Methylethylketon ChEBI
oxobutane UM-BBD
Database Links Databases
Butanone Wikipedia
c0020 UM-BBD
C02845 KEGG COMPOUND
HMDB0000474 HMDB
LMFA12000043 LIPID MAPS
MEK MetaCyc
View more database links
Registry Numbers Types Sources
25656 Gmelin Registry Number Gmelin
741880 Reaxys Registry Number Reaxys
741880 Beilstein Registry Number Beilstein
78-93-3 CAS Registry Number ChemIDplus
78-93-3 CAS Registry Number NIST Chemistry WebBook
Citations Waiting for Citations Types Sources
20403429 PubMed citation Europe PMC
23050457 PubMed citation Europe PMC
Last Modified
15 December 2016