AromaDb: A Database of Plant's Aroma Molecules

Cyclohexanone Details

: IUPAC Name
:Chemical Class
:CAS Registry Number
108-94-1
:Description

:Fragrance Type
mint

Physical and Chemical properties

PUBCHEM ID7967
Molecular Weight (mg/mol)98.146
Molecular FormulaC6H10O
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
IUPAC Name
Canonical SMILESO=C1CCCCC1
PUBCHEM IUPAC INCHIKEYJHIVVAPYMSGYDF-UHFFFAOYSA-N
Solubility Level4
Vapour Pressure

Absorption and Metabolism information

XLOGP3 AANA
CACTVS TPSA26.3
BBB Level2
Absorption Level0
EXT PPB#Prediction0
AlogP981.314
EXT CYP2D6#Prediction0

Toxicological Information

Mouse Female FDAMulti-Carcinogen
Mouse Male FDAMulti-Carcinogen
Rat Female FDASingle-Carcinogen
Rat Male FDANon-Carcinogen
Ames PredictionNon-Mutagen
Developmental / Reproductive ToxicityNon-Toxic
Rat Oral LD501.61154
Ocular IrritancyMild
Hepatotoxic#Prediction0
Effected Human GenesNA

Ecological Information

Aerobic Biodegradability PredictionDegradable

Hazard(s) Identification

Physical hazardsnot classified
Health hazards Moderate
Environmental hazardsnot classified
About Table Headings

Compound Biological Activity

Serial No.Cas No Gene SymbolOrganismInteraction Interaction ActionsPubMed Id
1 108-94-1 GLUD1 Mus musculus cyclohexanone promotes the reaction [2-dichlorobenzene results in increased activity of GLUD1 protein] increases^activity|increases^reaction 2554539
2 108-94-1 OR43A Drosophila melanogaster cyclohexanone binds to OR43A protein affects^binding 11481495
3 108-94-1 PGR Homo sapiens cyclohexanone binds to and results in decreased activity of PGR protein affects^binding|decreases^activity 27633901
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 108-94-1 Cyclohexanone

Compound Image


2D Structure

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