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CHEBI:87429 - butyl butanoate
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ChEBI Name
butyl butanoate
ChEBI ID
CHEBI:87429
Definition
A butanoate ester of butan-1-ol.
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This entity has been manually annotated by the ChEBI Team.
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Formula
C8H16O2
Net Charge
0
Average Mass
144.21140
Monoisotopic Mass
144.11503
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
butyl butanoate
UniProt
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
NIST Chemistry WebBook
109-21-7
CAS Registry Number
ChemIDplus
1747101
Reaxys Registry Number
Reaxys
Citation
Type
Source
21892724
PubMed citation
Europe PMC
Last Modified
07 July 2020