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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.
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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.
View more via ChEBI Ontology
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