AromaDb: A Database of Plant's Aroma Molecules

2,4-Dimethylanisole Details

: IUPAC Name
1-methoxy-2,4-dimethylbenzene
:Chemical Class
:CAS Registry Number
6738-23-4
:Description

:Fragrance Type
herbaceous aroma??

Physical and Chemical properties

PUBCHEM ID81221
Molecular Weight (mg/mol)136.195
Molecular FormulaC9H12O
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
IUPAC Name
Canonical SMILESCOc1ccc(C)cc1C
PUBCHEM IUPAC INCHIKEYUJCFZCTTZWHRNL-UHFFFAOYSA-N
Solubility Level3
Vapour Pressure

Absorption and Metabolism information

XLOGP3 AANA
CACTVS TPSA20.23
BBB Level1
Absorption Level0
EXT PPB#Prediction1
AlogP982.785
EXT CYP2D6#Prediction0

Toxicological Information

Mouse Female FDANon-Carcinogen
Mouse Male FDAMulti-Carcinogen
Rat Female FDANon-Carcinogen
Rat Male FDAMulti-Carcinogen
Ames PredictionNon-Mutagen
Developmental / Reproductive ToxicityNon-Toxic
Rat Oral LD501.95735
Ocular IrritancyMild
Hepatotoxic#Prediction1
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 6738-23-4
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 6738-23-4 2,4-Dimethylanisole

Compound Image


2D Structure

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