AromaDb: A Database of Plant's Aroma Molecules

3-Phenylpyridine Details

: IUPAC Name
3-phenylpyridine
:Chemical Class
:CAS Registry Number
1008-88-4
:Description

:Fragrance Type

Physical and Chemical properties

PUBCHEM ID13886
Molecular Weight (mg/mol)155.196
Molecular FormulaC11H9N
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
IUPAC Name3-phenylpyridine
Canonical SMILESc2ccc(c1cccnc1)cc2
PUBCHEM IUPAC INCHIKEYHJKGBRPNSJADMB-UHFFFAOYSA-N
Solubility Level3
Vapour Pressure-2.416

Absorption and Metabolism information

XLOGP3 AA2.5
CACTVS TPSA12.9
BBB Level1
Absorption Level0
EXT PPB#Prediction1
AlogP982.197
EXT CYP2D6#Prediction0

Toxicological Information

Mouse Female FDANon-Carcinogen
Mouse Male FDAMulti-Carcinogen
Rat Female FDAMulti-Carcinogen
Rat Male FDASingle-Carcinogen
Ames PredictionMutagen
Developmental / Reproductive ToxicityNon-Toxic
Rat Oral LD500.372201 g/kg_body_weight
Ocular IrritancyMild
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 1008-88-4 NA NA NA NA NA
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 1008-88-4 3-Phenylpyridine

Plant Variety and Essential oils

Serial No.Plant NameVariety NameEssential OilCompound Percentage
1 Vetiver, Khus Gulabi Vetiveria zizanoides gulabi essential oil

Compound Image


2D Structure

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(External database - ChemAxon)