AromaDb: A Database of Plant's Aroma Molecules

Trans-Dihydrocarvone Details

: IUPAC Name
(2R,5S)-2-methyl-5-prop-1-en-2-ylcyclohexan-1-one
:Chemical Class
Ketone
:CAS Registry Number
53796-79-5
:Description

:Fragrance Type
mint

Physical and Chemical properties

PUBCHEM ID443181
Molecular Weight (mg/mol)152.233
Molecular FormulaC10H16O
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
IUPAC Name(2R,5S)-2-methyl-5-prop-1-en-2-ylcyclohexan-1-one
Canonical SMILESC=C(C)C1CCC(C)C(=O)C1
PUBCHEM IUPAC INCHIKEYAZOCECCLWFDTAP-BDAKNGLRSA-N
Solubility Level3
Vapour Pressure-1.027

Absorption and Metabolism information

XLOGP3 AA2.7
CACTVS TPSA17.1
BBB Level1
Absorption Level0
EXT PPB#Prediction0
AlogP982.54
EXT CYP2D6#Prediction0

Toxicological Information

Mouse Female FDAMulti-Carcinogen
Mouse Male FDAMulti-Carcinogen
Rat Female FDASingle-Carcinogen
Rat Male FDASingle-Carcinogen
Ames PredictionNon-Mutagen
Developmental / Reproductive ToxicityNon-Toxic
Rat Oral LD501.50722 g/kg_body_weight
Ocular IrritancyMild
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 53796-79-5
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 53796-79-5 Trans-Dihydrocarvone

Plant Variety and Essential oils

Serial No.Plant NameVariety NameEssential OilCompound Percentage
1 Oregano Origanum vulgare essential oil
2 Anethum graveolens Anethum graveolens essential oil

Compound Image


2D Structure

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(External database - ChemAxon)