AromaDb: A Database of Plant's Aroma Molecules

alpha-,alpha-Dimethoxytoluene Details

: IUPAC Name
Benzaldehydedimethylacetal
:Chemical Class
:CAS Registry Number
1125-88-8
:Description

:Fragrance Type
floral-almond odour

Physical and Chemical properties

PUBCHEM ID62375
Molecular Weight (mg/mol)152.195
Molecular FormulaC9H12O2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
IUPAC NameBenzaldehydedimethylacetal
Canonical SMILESCOC(OC)c1ccccc1
PUBCHEM IUPAC INCHIKEYHEVMDQBCAHEHDY-UHFFFAOYSA-N
Solubility Level3
Vapour Pressure-0.629

Absorption and Metabolism information

XLOGP3 AANA
CACTVS TPSA25.78
BBB Level1
Absorption Level0
EXT PPB#Prediction1
AlogP981.702
EXT CYP2D6#Prediction0

Toxicological Information

Mouse Female FDANon-Carcinogen
Mouse Male FDAMulti-Carcinogen
Rat Female FDANon-Carcinogen
Rat Male FDANon-Carcinogen
Ames PredictionMutagen
Developmental / Reproductive ToxicityNon-Toxic
Rat Oral LD504.05789
Ocular IrritancyMild
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 1125-88-8 AR Homo sapiens alpha,alpha-dimethoxytoluene inhibits the reaction [Metribolone results in increased activity of AR protein] decreases^reaction|increases^activity 18324785
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 1125-88-8 alpha-,alpha-Dimethoxytoluene

Compound Image


2D Structure

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