AromaDb: A Database of Plant's Aroma Molecules

P-Mentha-2,8-Diene Details

: IUPAC Name
3-hydroperoxy-3-methyl-6-prop-1-en-2-ylcyclohexene
:Chemical Class
Monoterpene
:CAS Registry Number
:Description

:Fragrance Type
citrus

Physical and Chemical properties

PUBCHEM ID538497
Molecular Weight (mg/mol)168.233
Molecular FormulaC10H16O2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
IUPAC Name3-hydroperoxy-3-methyl-6-prop-1-en-2-ylcyclohexene
Canonical SMILESC=C(C)C1/C=CC(C)(OO)CC1
PUBCHEM IUPAC INCHIKEYLCOVCELWSKTKHX-UHFFFAOYSA-N
Solubility Level3
Vapour Pressure-2.233

Absorption and Metabolism information

XLOGP3 AA2.4
CACTVS TPSA29.5
BBB Level1
Absorption Level0
EXT PPB#Prediction0
AlogP982.207
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 ToxicityToxic
Rat Oral LD508.23448 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
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 P-Mentha-2,8-Diene

Plant Variety and Essential oils

Serial No.Plant NameVariety NameEssential OilCompound Percentage
1 Hook Cymbopogon microstachys essential oil

Compound Image


2D Structure

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(External database - ChemAxon)