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
Supplier Information No supplier information found for this compound.
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Formula C4H8O
Net Charge 0
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.
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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 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
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
Manual Xrefs 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
78-93-3 CAS Registry Number ChemIDplus
78-93-3 CAS Registry Number NIST Chemistry WebBook
Citations
Last Modified
23 September 2019