AromaDb: A Database of Plant's Aroma Molecules

P-Cymenene Details

: IUPAC Name
1-methyl-4-prop-1-en-2-ylbenzene
:Chemical Class
Monoterpene
:CAS Registry Number
1195-32-0
:Description

:Fragrance Type
citrus

Physical and Chemical properties

PUBCHEM ID62385
Molecular Weight (mg/mol)132.202
Molecular FormulaC10H12
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count1
IUPAC Name1-methyl-4-prop-1-en-2-ylbenzene
Canonical SMILESC=C(C)c1ccc(C)cc1
PUBCHEM IUPAC INCHIKEYMMSLOZQEMPDGPI-UHFFFAOYSA-N
Solubility Level3
Vapour Pressure-0.368

Absorption and Metabolism information

XLOGP3 AA3.7
CACTVS TPSA0
BBB Level0
Absorption Level0
EXT PPB#Prediction1
AlogP983.314
EXT CYP2D6#Prediction0

Toxicological Information

Mouse Female FDANon-Carcinogen
Mouse Male FDAMulti-Carcinogen
Rat Female FDAMulti-Carcinogen
Rat Male FDAMulti-Carcinogen
Ames PredictionNon-Mutagen
Developmental / Reproductive ToxicityNon-Toxic
Rat Oral LD504.01976 g/kg_body_weight
Ocular IrritancyMild
Hepatotoxic#Prediction0
Effected Human Genes

Ecological Information

Aerobic Biodegradability PredictionNon-Degradable

Hazard(s) Identification

Physical hazardsnot classified
Health hazards Mild
Environmental hazardsnot classified
About Table Headings

Compound Biological Activity

Serial No.Cas No Gene SymbolOrganismInteraction Interaction ActionsPubMed Id
1 1195-32-0
2 1195-32-0
3 1195-32-0
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 1195-32-0 P-Cymenene

Compound Image


2D Structure

Download




Download Sdf File Download PDB File Download MOL File
View Similar Structures
(External database - ChemAxon)