OntologieschebiclassesCHEBI:87542   
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3-methylbutyl hexanoate
http://purl.obolibrary.org/obo/CHEBI_87542

A fatty acid ester obtained by the formal condensation of the carboxy group of hexanoic acid (caproic acid) with the alcoholic hydroxy group of 3-methylbutan-1-ol (isoamylol).

Also appears inslm
Exact Synonyms
3-methylbutyl hexanoate
Related Synonyms
3-methylbutyl caproate
isoamyl caproate
isoamyl hexanoate
isopentyl caproate
isopentyl hexanoate
class Information
charge

0

formula

C11H22O2

has_dbxref
has_obo_namespace

chebi_ontology

inchi

InChI=1S/C11H22O2/c1-4-5-6-7-11(12)13-9-8-10(2)3/h10H,4-9H2,1-3H3

inchikey

XVSZRAWFCDHCBP-UHFFFAOYSA-N

in_subset

3_STAR

mass

186.29120

monoisotopicmass

186.16198

smiles

CCCCCC(=O)OCCC(C)C

class Relations