CHEBI:87318 - sec-butyl butyrate

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ChEBI Name sec-butyl butyrate
ChEBI ID CHEBI:87318
ChEBI ASCII Name sec-butyl butyrate
Definition A butyrate ester obtained by the formal condensation of butyric acid with butan-2-ol.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C8H16O2
Net Charge 0
Average Mass 144.21140
Monoisotopic Mass 144.11503
InChI InChI=1S/C8H16O2/c1-4-6-8(9)10-7(3)5-2/h7H,4-6H2,1-3H3
InChIKey QJHDFBAAFGELLO-UHFFFAOYSA-N
SMILES CCCC(=O)OC(C)CC
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 sec-butyl butyrate (CHEBI:87318) has functional parent butan-2-ol (CHEBI:35687)
sec-butyl butyrate (CHEBI:87318) has role metabolite (CHEBI:25212)
sec-butyl butyrate (CHEBI:87318) is a butyrate ester (CHEBI:50477)
IUPAC Name
butan-2-yl butanoate
Registry Numbers Types Sources
1721096 Reaxys Registry Number Reaxys
819-97-6 CAS Registry Number ChemIDplus
Last Modified
02 September 2015