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CHEBI:87526 - 3-ethoxy-2-butanone

ChEBI IDCHEBI:87526
ChEBI Name3-ethoxy-2-butanone
Stars
DefinitionA methyl ketone that is butan-2-one substituted by an ethoxy group at position 3.
Last Modified18 August 2015
Submitternamrata
DownloadsMolfile
FormulaC6H12O2
Net Charge0
Average Mass116.160
Monoisotopic Mass116.08373
SMILESCCOC(C)C(C)=O
InChIInChI=1S/C6H12O2/c1-4-8-6(3)5(2)7/h6H,4H2,1-3H3
InChIKeyUKIKCLGEESVZAE-UHFFFAOYSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
3-ethoxy-2-butanone (CHEBI:87526) has role metabolite (CHEBI:25212)
3-ethoxy-2-butanone (CHEBI:87526) is a ether (CHEBI:25698)
3-ethoxy-2-butanone (CHEBI:87526) is a methyl ketone (CHEBI:51867)
IUPAC Name 
3-ethoxybutan-2-one
Registry NumbersSources
Reaxys:1700321Reaxys