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:
antifungal agent  An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce.
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.
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
Applications:
fragrance  A substance, extract, or preparation for diffusing or imparting an agreeable or attractive smell.
antinematodal drug  A substance used in the treatment or control of nematode infestations.
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 pelargonateChemIDplus
Methyl nonylateChemIDplus
Methyl ester nonanoic acidNIST Chemistry WebBook
Methyl n-nonanoateNIST Chemistry WebBook
Pelargonic acid methyl esterNIST Chemistry WebBook
Manual XrefsDatabases
NONPDBeChem
1CLYPDB
DB01631DrugBank
HMDB0031264HMDB
Registry NumbersSources
Reaxys:1754521Reaxys
CAS:1731-84-6ChemIDplus
CAS:1731-84-6NIST Chemistry WebBook
Citations