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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:195390 - 2-methylcyclohexanone
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ChEBI Name
2-methylcyclohexanone
ChEBI ID
CHEBI:195390
Definition
A member of the class of cyclohexanones that is cyclohexanone substituted by a methyl group at position 2.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
Elisabeth COUDERT
Supplier Information
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Formula
C7H12O
Net Charge
0
Average Mass
112.172
Monoisotopic Mass
112.08882
InChI
InChI=1S/C7H12O/c1-6-4-2-3-5-7(6)8/h6H,2-5H2,1H3
InChIKey
LFSAPCRASZRSKS-UHFFFAOYSA-N
SMILES
CC1CCCCC1=O
Metabolite of Species
Details
Solanum lycopersicum
(NCBI:txid4081)
See:
DOI
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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
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
Sources
2-methyl-1-cyclohexanone
ChEBI
2-methylcyclohexan-1-one
ChEBI
2-methylcyclohexane-1-one
ChEBI
2-methylcyclohexanone
UniProt
α-methylcyclohexanone
NIST Chemistry WebBook
FEMA 3946
ChEBI
o
-methylcyclohexanone
ChEBI
ortho
-methylcyclohexanone
ChEBI
tetrahydro-
o
-cresol
ChEBI
Manual Xrefs
Databases
C00062304
KNApSAcK
FDB008147
FooDB
View more database links
Registry Numbers
Types
Sources
506751
Reaxys Registry Number
Reaxys
583-60-8
CAS Registry Number
NIST Chemistry WebBook
Citations
Types
Sources
10712879
PubMed citation
Europe PMC
18427929
PubMed citation
Europe PMC
24206217
PubMed citation
Europe PMC
26066994
PubMed citation
Europe PMC
26194788
PubMed citation
Europe PMC
27299552
PubMed citation
Europe PMC
32725638
PubMed citation
Europe PMC
34643382
PubMed citation
Europe PMC
37265714
PubMed citation
Europe PMC
IND44091056
Agricola citation
Europe PMC
Last Modified
18 July 2023
General Comment
2023-07-18
Additional articles: https://doi.org/10.1038/s41929-019-0249-z