AromaDb: A Database of Plant's Aroma Molecules

2,6-Dimethylpyridine Details

: IUPAC Name
:Chemical Class
:CAS Registry Number
108-48-5
:Description

:Fragrance Type
coffee like aroma

Physical and Chemical properties

PUBCHEM ID7937
Molecular Weight (mg/mol)107.156
Molecular FormulaC7H9N
Hydrogen Bond Donor CountNA
Hydrogen Bond Acceptor CountNA
Rotatable Bond CountNA
IUPAC Name
Canonical SMILESCc1cccc(C)n1
PUBCHEM IUPAC INCHIKEYOISVCGZHLKNMSJ-UHFFFAOYSA-N
Solubility Level4
Vapour Pressure0.518

Absorption and Metabolism information

XLOGP3 AANA
CACTVS TPSANA
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
Ocular IrritancySevere
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
1 108-48-5 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 2,6-Dimethylpyridine

Compound Image


2D Structure

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