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CHEBI:180202 - 3-methylnonane-2,4-dione

ChEBI IDCHEBI:180202
ChEBI Name3-methylnonane-2,4-dione
Stars
DefinitionA β-diketone that is 3-methylnonane substituted by oxo groups at positions 2 and 4.
Last Modified13 May 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC10H18O2
Net Charge0
Average Mass170.252
Monoisotopic Mass170.13068
SMILESCCCCCC(=O)C(C)C(C)=O
InChIInChI=1S/C10H18O2/c1-4-5-6-7-10(12)8(2)9(3)11/h8H,4-7H2,1-3H3
InChIKeyBGVBGAIWXAXBLP-UHFFFAOYSA-N
Roles Classification
Biological Roles:
flavouring agent  A food additive that is used to added improve the taste or odour of a food.
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
Application:
flavouring agent  A food additive that is used to added improve the taste or odour of a food.
ChEBI Ontology
Outgoing Relation(s)
3-methylnonane-2,4-dione (CHEBI:180202) has role flavouring agent (CHEBI:35617)
3-methylnonane-2,4-dione (CHEBI:180202) has role plant metabolite (CHEBI:76924)
3-methylnonane-2,4-dione (CHEBI:180202) is a methyl ketone (CHEBI:51867)
3-methylnonane-2,4-dione (CHEBI:180202) is a β-diketone (CHEBI:67265)
IUPAC Name 
3-methylnonane-2,4-dione
Synonyms  Source
3-methyl-2,4-nonanedioneChEBI
3-methyl-2,4-nonandioneNIST Chemistry WebBook
3-methyl-2,4-nonadioneNIST Chemistry WebBook
3-methylnonan-2,4-dioneChEBI
FEMA 4057ChEBI
Manual XrefsDatabases
HMDB0034880HMDB
461444ChemSpider
FDB013455FooDB
Registry NumbersSources
Reaxys:1757097Reaxys
CAS:113486-29-6NIST Chemistry WebBook
Citations