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CHEBI:195390 - 2-methylcyclohexanone

ChEBI IDCHEBI:195390
ChEBI Name2-methylcyclohexanone
Stars
DefinitionA member of the class of cyclohexanones that is cyclohexanone substituted by a methyl group at position 2.
Last Modified18 July 2023
SubmitterElisabeth Coudert
DownloadsMolfile
FormulaC7H12O
Net Charge0
Average Mass112.172
Monoisotopic Mass112.08882
SMILESCC1CCCCC1=O
InChIInChI=1S/C7H12O/c1-6-4-2-3-5-7(6)8/h6H,2-5H2,1H3
InChIKeyLFSAPCRASZRSKS-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Solanum lycopersicum (ncbitaxon:4081) - DOI (10.1016/S0308-8146(00)00187-4)
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)
2-methylcyclohexanone (CHEBI:195390) has role flavouring agent (CHEBI:35617)
2-methylcyclohexanone (CHEBI:195390) has role plant metabolite (CHEBI:76924)
2-methylcyclohexanone (CHEBI:195390) is a cyclohexanones (CHEBI:23482)
IUPAC Name 
2-methylcyclohexanone
Synonyms  Source
2-methyl-1-cyclohexanoneChEBI
2-methylcyclohexan-1-oneChEBI
2-methylcyclohexane-1-oneChEBI
o-methylcyclohexanoneChEBI
ortho-methylcyclohexanoneChEBI
FEMA 3946ChEBI
UniProt Name  Source
2-methylcyclohexanoneUniProt
Manual XrefsDatabases
C00062304KNApSAcK
FDB008147FooDB
Registry NumbersSources
Reaxys:506751Reaxys
CAS:583-60-8NIST Chemistry WebBook
Citations