AromaDb: A Database of Plant's Aroma Molecules

2-Acetylpyridine Details

: IUPAC Name
1-pyridin-2-ylethanone
:Chemical Class
:CAS Registry Number
1122-62-9
:Description

:Fragrance Type
popcorn

Physical and Chemical properties

PUBCHEM ID14286
Molecular Weight (mg/mol)121.137
Molecular FormulaC7H7NO
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
IUPAC Name1-pyridin-2-ylethanone
Canonical SMILESCC(=O)c1ccccn1
PUBCHEM IUPAC INCHIKEYAJKVQEKCUACUMD-UHFFFAOYSA-N
Solubility Level4
Vapour Pressure-0.72

Absorption and Metabolism information

XLOGP3 AA
CACTVS TPSA30
BBB Level2
Absorption Level0
EXT PPB#Prediction0
AlogP980.847
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 LD500.607503 g/kg_body_weight
Ocular IrritancySevere
Hepatotoxic#Prediction0
Effected Human Genes

Ecological Information

Aerobic Biodegradability PredictionDegradable

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 1122-62-9
2 1122-62-9
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 1122-62-9 2-Acetylpyridine

Plant Variety and Essential oils

Serial No.Plant NameVariety NameEssential OilCompound Percentage
1 Vetiver, Khus CIMAP-Khus 15 Vetiveria zizanoides CIMAP-KHUS 15 essential oil

Compound Image


2D Structure

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(External database - ChemAxon)