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CHEBI:87570 - isobutyl decanoate
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ChEBI Name
isobutyl decanoate
ChEBI ID
CHEBI:87570
Definition
A decanoate ester obtained by the formal condensation of the carboxy group of decanoc acid (capric acid) with the alcoholic hydroxy group of isobutanol.
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This entity has been manually annotated by the ChEBI Team.
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Molfile
Formula
C14H28O2
Net Charge
0
Average Mass
228.371
Monoisotopic Mass
228.20893
InChI
InChI=1S/C14H28O2/c1-4-5-6-7-8-9-10-11-14(15)16-12-13(2)3/h13H,4-12H2,1-3H3
InChIKey
AXTPGRJJIGEOOY-UHFFFAOYSA-N
SMILES
O(C(CCCCCCCCC)=O)CC(C)C
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
isobutyl decanoate (
CHEBI:87570
)
has functional parent
isobutanol (
CHEBI:46645
)
isobutyl decanoate (
CHEBI:87570
)
has role
metabolite (
CHEBI:25212
)
isobutyl decanoate (
CHEBI:87570
)
is a
decanoate ester (
CHEBI:87658
)
IUPAC Name
2-methylpropyl decanoate
Synonyms
Sources
Isobutyl decanoate
NIST Chemistry WebBook
n-Capric acid isobutyl ester
NIST Chemistry WebBook
Manual Xref
Database
HMDB0059865
HMDB
View more database links
Registry Numbers
Types
Sources
30673-38-2
CAS Registry Number
NIST Chemistry WebBook
30673-38-2
CAS Registry Number
ChemIDplus
8320376
Reaxys Registry Number
Reaxys
Citation
Type
Source
4055952
PubMed citation
Europe PMC
Last Modified
03 September 2015