AromaDb: A Database of Plant's Aroma Molecules

p,alpha-Dimethylbenzyl alcohol Details

: IUPAC Name
:Chemical Class
:CAS Registry Number
:Description

:Fragrance Type
camphoraceous

Physical and Chemical properties

PUBCHEM ID10817
Molecular Weight (mg/mol)136.195
Molecular FormulaC9H12O
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
IUPAC Name
Canonical SMILESCc1ccc([C@@H](C)O)cc1
PUBCHEM IUPAC INCHIKEYJESIHYIJKKUWIS-MRVPVSSYSA-N
Solubility Level4
Vapour Pressure-1.426

Absorption and Metabolism information

XLOGP3 AANA
CACTVS TPSA25.78
BBB Level1
Absorption Level0
EXT PPB#Prediction1
AlogP982.089
EXT CYP2D6#Prediction0

Toxicological Information

Mouse Female FDANon-Carcinogen
Mouse Male FDANon-Carcinogen
Rat Female FDANon-Carcinogen
Rat Male FDANon-Carcinogen
Ames PredictionNon-Mutagen
Developmental / Reproductive ToxicityToxic
Rat Oral LD502.87308
Ocular IrritancySevere
Hepatotoxic#Prediction0
Effected Human GenesNA

Ecological Information

Aerobic Biodegradability PredictionDegradable

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
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 p,alpha-Dimethylbenzyl alcohol

Compound Image


2D Structure

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