AromaDb: A Database of Plant's Aroma Molecules

Y-Terpinene Details

: IUPAC Name
1-methyl-4-propan-2-ylcyclohexa-1,4-diene
:Chemical Class
Monoterpene
:CAS Registry Number
99-85-4
:Description

:Fragrance Type
pine

Physical and Chemical properties

PUBCHEM ID7461
Molecular Weight (mg/mol)136.234
Molecular FormulaC10H16
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count1
IUPAC Name1-methyl-4-propan-2-ylcyclohexa-1,4-diene
Canonical SMILESC/C1=C/C/C(C(C)C)=CC1
PUBCHEM IUPAC INCHIKEYYKFLAYDHMOASIY-UHFFFAOYSA-N
Solubility Level3
Vapour Pressure0.015

Absorption and Metabolism information

XLOGP3 AA2.8
CACTVS TPSA0
BBB Level0
Absorption Level0
EXT PPB#Prediction1
AlogP983.448
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 LD501.18753 g/kg_body_weight
Ocular IrritancyNone
Hepatotoxic#Prediction1
Effected Human GenesIL1B, IL10, TNF

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 99-85-4 ACHE Electrophorus electricus gamma-terpinene affects the activity of ACHE protein affects^activity 25636489
2 99-85-4 ACHE Electrophorus electricus gamma-terpinene affects the activity of ACHE protein affects^activity 25636489
3 99-85-4 ACHE Electrophorus electricus gamma-terpinene affects the activity of ACHE protein affects^activity 25636489
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 99-85-4 Y-Terpinene

Plant Variety and Essential oils

Serial No.Plant NameVariety NameEssential OilCompound Percentage
1 Oregano Origanum vulgare essential oil
2 Pistachio Pistacia vera essential oil

Compound Image


2D Structure

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(External database - ChemAxon)