CHEBI:44499 - methyl nonanoate

ChEBI IDCHEBI:44499
ChEBI Namemethyl nonanoate
Stars
DefinitionA fatty acid methyl ester obtained from the formal condensation of methanol and nonanoic acid; a colourless liquid with a fruity odour, used in perfumes and flavours, and for medical research.
Last Modified2 June 2025
DownloadsMolfile
FormulaC10H20O2
Net Charge0
Average Mass172.268
Monoisotopic Mass172.14633
SMILESCCCCCCCCC(=O)OC
InChIInChI=1S/C10H20O2/c1-3-4-5-6-7-8-9-10(11)12-2/h3-9H2,1-2H3
InChIKeyIJXHLVMUNBOGRR-UHFFFAOYSA-N
Roles Classification
Biological Roles:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
epitope  The biological role played by a material entity when bound by a receptor of the adaptive immune system. Specific site on an antigen to which an antibody binds.
antifungal agent  An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce.
Applications:
antinematodal drug  A substance used in the treatment or control of nematode infestations.
fragrance  A substance, extract, or preparation for diffusing or imparting an agreeable or attractive smell.
ChEBI Ontology
Outgoing Relation(s)
methyl nonanoate (CHEBI:44499) has functional parent methanol (CHEBI:17790)
methyl nonanoate (CHEBI:44499) has functional parent nonanoic acid (CHEBI:29019)
methyl nonanoate (CHEBI:44499) has role antifungal agent (CHEBI:35718)
methyl nonanoate (CHEBI:44499) has role antinematodal drug (CHEBI:35444)
methyl nonanoate (CHEBI:44499) has role epitope (CHEBI:53000)
methyl nonanoate (CHEBI:44499) has role fragrance (CHEBI:48318)
methyl nonanoate (CHEBI:44499) has role plant metabolite (CHEBI:76924)
methyl nonanoate (CHEBI:44499) is a fatty acid methyl ester (CHEBI:4986)
IUPAC Name 
methyl nonanoate
Synonyms  Source
Methyl ester nonanoic acidNIST Chemistry WebBook
Methyl n-nonanoateNIST Chemistry WebBook
Methyl nonylateChemIDplus
Methyl pelargonateChemIDplus
Pelargonic acid methyl esterNIST Chemistry WebBook
Manual XrefsDatabases
1CLYPDB
DB01631DrugBank
HMDB0031264HMDB
NONPDBeChem
Registry NumbersSources
Reaxys:1754521Reaxys
CAS:1731-84-6NIST Chemistry WebBook
CAS:1731-84-6ChemIDplus
Citations