AromaDb: A Database of Plant's Aroma Molecules

Isomenthone Details

: IUPAC Name
5-methyl-2-propan-2-ylcyclohexan-1-one
:Chemical Class
:CAS Registry Number
10458-14-7
:Description

:Fragrance Type
mint

Physical and Chemical properties

PUBCHEM ID6986
Molecular Weight (mg/mol)154.249
Molecular FormulaC10H18O
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
IUPAC Name5-methyl-2-propan-2-ylcyclohexan-1-one
Canonical SMILESCC(C)C1CCC(C)CC1=O
PUBCHEM IUPAC INCHIKEYNFLGAXVYCFJBMK-UHFFFAOYSA-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 10458-14-7
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 10458-14-7 Isomenthone

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 Himalaya Mentha arvensis Himalaya essential oil
5 Menthol mint, Corn mint, Japanese mint Kosi Mentha arvensis Kosi essential oil
6 Menthol mint, Corn mint, Japanese mint Kalka Mentha arvensis Kalka essential oil
7 Menthol mint, Corn mint, Japanese mint Saksham Mentha arvensis Saksham essential oil
8 Menthol mint, Corn mint, Japanese mint Sambhav Mentha arvensis Sambhav essential oil
9 Menthol mint, Corn mint, Japanese mint Kushal Mentha arvensis Kushal essential oil
10 Peppermint CIM-Madhuras Mentha piperita CIm-Madhuras essential oil
11 Peppermint CIMAP-Patra Mentha piperita CIMAP-Patra essential oil
12 Peppermint Kukrail Mentha piperita Kukrail essential oil
13 Peppermint Tushar Mentha piperita Tushar essential oil
14 Geranium Pelargonium roseum essential oil
15 Geranium, Rose Scented Geranium CIM-BIO 171 Pelargonium graveolens CIM-BIO 171 essential oil
16 Geranium, Rose Scented Geranium CIM-Pawan Pelargonium graveolens CIM-Pawan essential oil
17 Geranium, Rose Scented Geranium Kelkar Pelargonium graveolens Kelkar essential oil
18 American wild mint Mentha essential canadensis essential oil
19 Garden Mint, Pudina Ganga Mentha Viridis essential oil
20 Garden Mint, Pudina Supriya Mentha Viridis Supriya essential oil
21 Menthol mint, Corn mint, Japanese mint CIM-Kranti Mentha arvensis CIM-Kranti essential oil
22 Menthol mint, Corn mint, Japanese mint CIM-Saryu Mentha arvensis CIM-Saryu essential oil
23 Hibiscus surattensis Hibiscus surattensis essential oil

Compound Image


2D Structure

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(External database - ChemAxon)