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CHEBI:28398 - butan-2-one

ChEBI IDCHEBI:28398
ChEBI Namebutan-2-one
Stars
DefinitionA dialkyl ketone that is a four-carbon ketone carrying a single keto- group at position C-2.
Secondary ChEBI IDsCHEBI:6858, CHEBI:25249
Last Modified23 September 2019
DownloadsMolfile

FormulaC4H8O
Net Charge0
Average Mass72.107
Monoisotopic Mass72.05751
SMILESCCC(C)=O
InChIInChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3
InChIKeyZWEHNKRNPOVVGH-UHFFFAOYSA-N

Wikipedia
Roles Classification

ChEBI Ontology
IUPAC Name 
butan-2-one
Synonyms  Source
Methyl ethyl ketoneKEGG COMPOUND
Ethyl methyl ketoneKEGG COMPOUND
2-ButanoneKEGG COMPOUND
MEKKEGG COMPOUND
methylethyl ketoneChemIDplus
oxobutaneUM-BBD
UniProt Name  Source
butan-2-oneUniProt
Manual XrefsDatabases
C02845KEGG COMPOUND
c0020UM-BBD
MEKMetaCyc
ButanoneWikipedia
HMDB0000474HMDB
LMFA12000043LIPID MAPS
Registry NumbersSources
Gmelin:25656Gmelin
Reaxys:741880Reaxys
CAS:78-93-3KEGG COMPOUND
CAS:78-93-3ChemIDplus
CAS:78-93-3NIST Chemistry WebBook
Citations