CHEBI:77322 - methyl hexanoate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name methyl hexanoate
Definition A fatty acid methyl ester derived from hexanoic (caproic acid).
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C7H14O2
Net Charge 0
Average Mass 130.18490
Monoisotopic Mass 130.09938
InChI InChI=1S/C7H14O2/c1-3-4-5-6-7(8)9-2/h3-6H2,1-2H3
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
flavouring agent
A food additive that is used to added improve the taste or odour of a food.
Application(s): flavouring agent
A food additive that is used to added improve the taste or odour of a food.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing methyl hexanoate (CHEBI:77322) has role flavouring agent (CHEBI:35617)
methyl hexanoate (CHEBI:77322) has role plant metabolite (CHEBI:76924)
methyl hexanoate (CHEBI:77322) is a fatty acid methyl ester (CHEBI:4986)
methyl hexanoate (CHEBI:77322) is a hexanoate ester (CHEBI:87656)
Incoming methyl 6-(pentacyclo[,7.03,6.09,12]dodec-4-yl)hexanoate (CHEBI:132929) has functional parent methyl hexanoate (CHEBI:77322)
methyl hexanoate
Synonyms Sources
Caproic acid, methyl ester NIST Chemistry WebBook
Hexanoic acid, methyl ester ChemIDplus
Methyl caproate ChemIDplus
Methyl capronate NIST Chemistry WebBook
Methyl hexoate ChemIDplus
Methyl hexylate ChemIDplus
Methyl n-hexanoate ChemIDplus
Manual Xref Database
HMDB0035238 HMDB
View more database links
Registry Numbers Types Sources
106-70-7 CAS Registry Number NIST Chemistry WebBook
106-70-7 CAS Registry Number ChemIDplus
1744683 Beilstein Registry Number ChemIDplus
1744683 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
12537447 PubMed citation Europe PMC
23710076 PubMed citation Europe PMC
Last Modified
23 October 2015