AromaDb: A Database of Plant's Aroma Molecules

2,3-Dimethylpyridine Details

: IUPAC Name
2,6-dimethylpyridine
:Chemical Class
:CAS Registry Number
108-48-5
:Description

:Fragrance Type
baked potato

Physical and Chemical properties

PUBCHEM ID7937
Molecular Weight (mg/mol)107.153
Molecular FormulaC7H9N
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
IUPAC Name2,6-dimethylpyridine
Canonical SMILESCc1cccc(C)n1
PUBCHEM IUPAC INCHIKEYOISVCGZHLKNMSJ-UHFFFAOYSA-N
Solubility Level4
Vapour Pressure0.518

Absorption and Metabolism information

XLOGP3 AA
CACTVS TPSA12.9
BBB Level1
Absorption Level1
EXT PPB#Prediction1
AlogP981.244
EXT CYP2D6#Prediction0

Toxicological Information

Mouse Female FDAMulti-Carcinogen
Mouse Male FDASingle-Carcinogen
Rat Female FDAMulti-Carcinogen
Rat Male FDASingle-Carcinogen
Ames PredictionNon-Mutagen
Developmental / Reproductive ToxicityNon-Toxic
Rat Oral LD501.05469 g/kg_body_weight
Ocular IrritancySevere
Hepatotoxic#Prediction1
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
1 108-48-5 NA NA NA NA NA
2 108-48-5 NA NA NA NA NA
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 108-48-5 2,3-Dimethylpyridine

Compound Image


2D Structure

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(External database - ChemAxon)