AromaDb: A Database of Plant's Aroma Molecules

p-Cymen-8-ol Details

: IUPAC Name
p-alpha,alpha-Trimethylbenzylalcohol
:Chemical Class
:CAS Registry Number
1197-01-9
:Description

:Fragrance Type
caraway

Physical and Chemical properties

PUBCHEM ID14529
Molecular Weight (mg/mol)150.222
Molecular FormulaC10H14O
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
IUPAC Namep-alpha,alpha-Trimethylbenzylalcohol
Canonical SMILESCc1ccc(C(C)(C)O)cc1
PUBCHEM IUPAC INCHIKEYXLPDVYGDNRIQFV-UHFFFAOYSA-N
Solubility Level3
Vapour Pressure-1.683

Absorption and Metabolism information

XLOGP3 AANA
CACTVS TPSA17.07
BBB Level1
Absorption Level0
EXT PPB#Prediction1
AlogP982.294
EXT CYP2D6#Prediction0

Toxicological Information

Mouse Female FDANon-Carcinogen
Mouse Male FDAMulti-Carcinogen
Rat Female FDANon-Carcinogen
Rat Male FDANon-Carcinogen
Ames PredictionNon-Mutagen
Developmental / Reproductive ToxicityNon-Toxic
Rat Oral LD506.34246
Ocular IrritancySevere
Hepatotoxic#Prediction0
Effected Human GenesNA

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 1197-01-9
2 1197-01-9
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 1197-01-9 p-Cymen-8-ol

Plant Variety and Essential oils

Serial No.Plant NameVariety NameEssential OilCompound Percentage
1 Snowbell styrax officinalis essential oil

Compound Image


2D Structure

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(External database - ChemAxon)