CHEBI:87526 - 3-ethoxy-2-butanone

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ChEBI Name 3-ethoxy-2-butanone
ChEBI ID CHEBI:87526
Definition A methyl ketone that is butan-2-one substituted by an ethoxy group at position 3.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C6H12O2
Net Charge 0
Average Mass 116.15830
Monoisotopic Mass 116.08373
InChI InChI=1S/C6H12O2/c1-4-8-6(3)5(2)7/h6H,4H2,1-3H3
InChIKey UKIKCLGEESVZAE-UHFFFAOYSA-N
SMILES CCOC(C)C(C)=O
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
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ChEBI Ontology
Outgoing 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 Number Type Source
1700321 Reaxys Registry Number Reaxys
Last Modified
18 August 2015