AromaDb: A Database of Plant's Aroma Molecules

Piperitone Details

: IUPAC Name
3-methyl-6-propan-2-ylcyclohex-2-en-1-one
:Chemical Class
:CAS Registry Number
89-81-6
:Description

:Fragrance Type
mint

Physical and Chemical properties

PUBCHEM ID6987
Molecular Weight (mg/mol)152.233
Molecular FormulaC10H16O
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
IUPAC Name3-methyl-6-propan-2-ylcyclohex-2-en-1-one
Canonical SMILESC/C1=C/C(=O)C(C(C)C)CC1
PUBCHEM IUPAC INCHIKEYYSTPAHQEHQSRJD-UHFFFAOYSA-N
Solubility Level3
Vapour Pressure-0.977

Absorption and Metabolism information

XLOGP3 AA2.2
CACTVS TPSA17.1
BBB Level1
Absorption Level0
EXT PPB#Prediction1
AlogP982.908
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 ToxicityToxic
Rat Oral LD501.22486 g/kg_body_weight
Ocular IrritancySevere
Hepatotoxic#Prediction0
Effected Human Genes

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 89-81-6
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 89-81-6 Piperitone

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 Kukrail Mentha piperita Kukrail essential oil
11 Peppermint Tushar Mentha piperita Tushar essential oil
12 Peppermint CIM-Indus Mentha piperita CIM-Indus essential oil
13 Spearmint Neera Mentha spicata Neera essential oil
14 Lemongrass Cauvery Cymbopogon flexuosus Cauvery essential oil
15 Dusky Geranium phaeum essential oil
16 Mulethi Mishri Glucyrrhiza glabra mulethi 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 Menthol mint, Corn mint, Japanese mint CIM-Saryu Mentha arvensis CIM-Saryu essential oil
20 Lemon balm Melissa officinalis essential oil
21 Horse Mint Mentha longifolia essential oil
22 Abies sachalinensis Abies sachalinensis essential oil
23 Hibiscus surattensis Hibiscus surattensis essential oil

Compound Image


2D Structure

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(External database - ChemAxon)