4-methylcyclohexanone (CHEBI:195392)

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ChEBI Name	4-methylcyclohexanone

ChEBI ID	CHEBI:195392

Definition	A member of the class of cyclohexanones that is cyclohexanone substituted by a methyl group at position 4.

Stars	This entity has been manually annotated by the ChEBI Team.

Submitter	Elisabeth COUDERT

Supplier Information	ChemicalBook:CB3115235, eMolecules:485333, ZINC000003861284

Download	Molfile XML SDF

Formula

C7H12O

Net Charge

Average Mass

112.172

Monoisotopic Mass

112.08882

InChI

InChI=1S/C7H12O/c1-6-2-4-7(8)5-3-6/h6H,2-5H2,1H3

InChIKey

VGVHNLRUAMRIEW-UHFFFAOYSA-N

SMILES

CC1CCC(=O)CC1

Roles Classification
Biological Role(s):	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(s):	flavouring agent A food additive that is used to added improve the taste or odour of a food.

ChEBI Ontology
Outgoing	4-methylcyclohexanone (CHEBI:195392) has role flavouring agent (CHEBI:35617) 4-methylcyclohexanone (CHEBI:195392) has role plant metabolite (CHEBI:76924) 4-methylcyclohexanone (CHEBI:195392) is a cyclohexanones (CHEBI:23482)

IUPAC Name

4-methylcyclohexanone

Citations

Last Modified

18 July 2023

General Comment
2023-07-18	Additional articles: https://doi.org/10.1038/s41929-019-0249-z