AromaDb: A Database of Plant's Aroma Molecules

2-Pentylpyridine Details

: IUPAC Name
2-pentylpyridine
:Chemical Class
:CAS Registry Number
2294-76-0
:Description

:Fragrance Type

Physical and Chemical properties

PUBCHEM ID16800
Molecular Weight (mg/mol)149.233
Molecular FormulaC10H15N
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
IUPAC Name2-pentylpyridine
Canonical SMILESCCCCCc1ccccn1
PUBCHEM IUPAC INCHIKEYHSDXVAOHEOSTFZ-UHFFFAOYSA-N
Solubility Level3
Vapour Pressure-0.012

Absorption and Metabolism information

XLOGP3 AA
CACTVS TPSA12.9
BBB Level1
Absorption Level0
EXT PPB#Prediction0
AlogP982.997
EXT CYP2D6#Prediction0

Toxicological Information

Mouse Female FDANon-Carcinogen
Mouse Male FDASingle-Carcinogen
Rat Female FDASingle-Carcinogen
Rat Male FDASingle-Carcinogen
Ames PredictionNon-Mutagen
Developmental / Reproductive ToxicityNon-Toxic
Rat Oral LD504.03478 g/kg_body_weight
Ocular IrritancySevere
Hepatotoxic#Prediction0
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 2294-76-0
2 2294-76-0
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 2294-76-0 2-Pentylpyridine

Plant Variety and Essential oils

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

Compound Image


2D Structure

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(External database - ChemAxon)