3-methylbutyl octanoateImported
A fatty acid ester obtained by the formal condensation of isoamylol with caprylic acid.
Defined bychebi
Exact Synonyms
3-methylbutyl octanoate
Related Synonyms
isoamyl caprylate
isoamyl octanoate
isopentyl octanoate
octanoic acid isopentyl ester
class Information
charge
0
formula
C13H26O2
has_dbxref
- CAS:2035-99-6
- HMDB:HMDB0038729
- PMID:25307564
- Reaxys:1767760
has_obo_namespace
chebi_ontology
inchi
InChI=1S/C13H26O2/c1-4-5-6-7-8-9-13(14)15-11-10-12(2)3/h12H,4-11H2,1-3H3
inchikey
XKWSWANXMRXDES-UHFFFAOYSA-N
in_subset
mass
214.34430
monoisotopicmass
214.19328
smiles
CCCCCCCC(=O)OCCC(C)C