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CHEBI:87570 - isobutyl decanoate

ChEBI IDCHEBI:87570
ChEBI Nameisobutyl decanoate
Stars
DefinitionA decanoate ester obtained by the formal condensation of the carboxy group of decanoc acid (capric acid) with the alcoholic hydroxy group of isobutanol.
Last Modified3 September 2015
Submitternamrata
DownloadsMolfile
FormulaC14H28O2
Net Charge0
Average Mass228.376
Monoisotopic Mass228.20893
SMILESCCCCCCCCCC(=O)OCC(C)C
InChIInChI=1S/C14H28O2/c1-4-5-6-7-8-9-10-11-14(15)16-12-13(2)3/h13H,4-12H2,1-3H3
InChIKeyAXTPGRJJIGEOOY-UHFFFAOYSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
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  Source
Isobutyl decanoateNIST Chemistry WebBook
n-Capric acid isobutyl esterNIST Chemistry WebBook
Manual XrefsDatabases
HMDB0059865HMDB
Registry NumbersSources
Reaxys:8320376Reaxys
CAS:30673-38-2ChemIDplus
CAS:30673-38-2NIST Chemistry WebBook
Citations