AromaDb: A Database of Plant's Aroma Molecules

Alpha-Terpinolene Details

: IUPAC Name
1-methyl-4-propan-2-ylidenecyclohexene
:Chemical Class
:CAS Registry Number
586-62-9
:Description

:Fragrance Type
sweet

Physical and Chemical properties

PUBCHEM ID11463
Molecular Weight (mg/mol)136.234
Molecular FormulaC10H16
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
IUPAC Name1-methyl-4-propan-2-ylidenecyclohexene
Canonical SMILESC/C(C)=C1C/C=C(C)CC1
PUBCHEM IUPAC INCHIKEYMOYAFQVGZZPNRA-UHFFFAOYSA-N
Solubility Level2
Vapour Pressure-0.047

Absorption and Metabolism information

XLOGP3 AA2.8
CACTVS TPSA0
BBB Level0
Absorption Level0
EXT PPB#Prediction1
AlogP983.643
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 LD501.65643 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
1 586-62-9 AKT1 Homo sapiens terpinolene results in decreased expression of AKT1 protein decreases^expression 22740904
2 586-62-9 AKT1 Homo sapiens terpinolene results in decreased expression of AKT1 protein decreases^expression 22740904
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 586-62-9 Alpha-Terpinolene

Plant Variety and Essential oils

Serial No.Plant NameVariety NameEssential OilCompound Percentage
1 Bergot mint Kiran Mentha citrata Kiran essential oil
2 Pistachio Pistacia vera essential oil

Compound Image


2D Structure

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(External database - ChemAxon)