CHEBI:87429 - butyl butanoate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name butyl butanoate
ChEBI ID CHEBI:87429
Definition A butanoate ester of butan-1-ol.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Wikipedia License
Waiting for wikipedia content
Read full article at Wikipedia
Formula C8H16O2
Net Charge 0
Average Mass 144.21140
Monoisotopic Mass 144.115
InChI InChI=1S/C8H16O2/c1-3-5-7-10-8(9)6-4-2/h3-7H2,1-2H3
InChIKey XUPYJHCZDLZNFP-UHFFFAOYSA-N
SMILES CCCCOC(=O)CCC
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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing butyl butanoate (CHEBI:87429) has functional parent butan-1-ol (CHEBI:28885)
butyl butanoate (CHEBI:87429) has role metabolite (CHEBI:25212)
butyl butanoate (CHEBI:87429) is a butyrate ester (CHEBI:50477)
IUPAC Name
butyl butanoate
Synonyms Sources
n-butyl butanoate ChEBI
n-butyl butyrate ChEBI
n-butyric n-butyl ester ChemIDplus
Manual Xrefs Databases
Butyl_butyrate Wikipedia
HMDB0039620 HMDB
View more database links
Registry Numbers Types Sources
109-21-7 CAS Registry Number ChemIDplus
109-21-7 CAS Registry Number NIST Chemistry WebBook
1747101 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
21892724 PubMed citation Europe PMC
Last Modified
23 October 2015