AromaDb: A Database of Plant's Aroma Molecules

Menthone Details

: IUPAC Name
(2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-one
:Chemical Class
:CAS Registry Number
14073-97-3
:Description

:Fragrance Type
mint

Physical and Chemical properties

PUBCHEM ID26447
Molecular Weight (mg/mol)154.249
Molecular FormulaC10H18O
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
IUPAC Name(2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-one
Canonical SMILESCC(C)C1CCC(C)CC1=O
PUBCHEM IUPAC INCHIKEYNFLGAXVYCFJBMK-BDAKNGLRSA-N
Solubility Level3
Vapour Pressure-0.852

Absorption and Metabolism information

XLOGP3 AA2.7
CACTVS TPSA17.1
BBB Level1
Absorption Level0
EXT PPB#Prediction1
AlogP982.736
EXT CYP2D6#Prediction0

Toxicological Information

Mouse Female FDAMulti-Carcinogen
Mouse Male FDAMulti-Carcinogen
Rat Female FDASingle-Carcinogen
Rat Male FDAMulti-Carcinogen
Ames PredictionNon-Mutagen
Developmental / Reproductive ToxicityNon-Toxic
Rat Oral LD501.28575 g/kg_body_weight
Ocular IrritancyMild
Hepatotoxic#Prediction0
Effected Human GenesBTRC

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 14073-97-3
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 14073-97-3 Menthone

Plant Variety and Essential oils

Serial No.Plant NameVariety NameEssential OilCompound Percentage
1 Menthol mint, Corn mint, Japanese mint Gomti Mentha arvensis Gomti essential oil
2 Menthol mint, Corn mint, Japanese mint MAS-1 Mentha arvensis MAS-1 essential oil
3 Menthol mint, Corn mint, Japanese mint Damroo Mentha arvensis Damroo essential oil
4 Menthol mint, Corn mint, Japanese mint Kosi Mentha arvensis Kosi essential oil
5 Menthol mint, Corn mint, Japanese mint Kalka Mentha arvensis Kalka essential oil
6 Menthol mint, Corn mint, Japanese mint Sambhav Mentha arvensis Sambhav essential oil
7 Menthol mint, Corn mint, Japanese mint Kushal Mentha arvensis Kushal essential oil
8 Peppermint Pranjal Mentha piperita Pranjal essential oil
9 Peppermint Kukrail Mentha piperita Kukrail essential oil
10 Peppermint Tushar Mentha piperita Tushar essential oil
11 Peppermint CIM-Indus Mentha piperita CIM-Indus essential oil
12 Spearmint Neera Mentha spicata Neera essential oil
13 Geranium Pelargonium roseum essential oil
14 Geranium, Rose Scented Geranium CIM-Pawan Pelargonium graveolens CIM-Pawan essential oil
15 Geranium, Rose Scented Geranium CIM-BIO 171 Pelargonium graveolens CIM-BIO 171 essential oil
16 Geranium, Rose Scented Geranium Kelkar Pelargonium graveolens Kelkar essential oil
17 American wild mint Mentha essential canadensis essential oil
18 Menthol mint, Corn mint, Japanese mint CIM-Kranti Mentha arvensis CIM-Kranti essential oil
19 Bramhi Centella asiatica essential oil
20 Bramhi Centella asiatica essential oil
21 Hibiscus surattensis Hibiscus surattensis essential oil

Compound Image


2D Structure

Download




Download Sdf File Download PDB File Download MOL File
View Similar Structures
(External database - ChemAxon)