AromaDb: A Database of Plant's Aroma Molecules

beta-Acetylnaphthalene Details

: IUPAC Name
Methylbeta-naphthylketone
:Chemical Class
:CAS Registry Number
93-08-3
:Description

:Fragrance Type
orange blossom

Physical and Chemical properties

PUBCHEM ID7122
Molecular Weight (mg/mol)170.212
Molecular FormulaC12H10O
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
IUPAC NameMethylbeta-naphthylketone
Canonical SMILESCC(=O)c2ccc1ccccc1c2
PUBCHEM IUPAC INCHIKEYXSAYZAUNJMRRIR-UHFFFAOYSA-N
Solubility Level3
Vapour Pressure

Absorption and Metabolism information

XLOGP3 AANA
CACTVS TPSA29.96
BBB Level1
Absorption Level0
EXT PPB#Prediction1
AlogP982.478
EXT CYP2D6#Prediction0

Toxicological Information

Mouse Female FDASingle-Carcinogen
Mouse Male FDAMulti-Carcinogen
Rat Female FDANon-Carcinogen
Rat Male FDASingle-Carcinogen
Ames PredictionNon-Mutagen
Developmental / Reproductive ToxicityNon-Toxic
Rat Oral LD502.14384
Ocular IrritancyNone
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 93-08-3
2 93-08-3
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 93-08-3 beta-Acetylnaphthalene

Compound Image


2D Structure

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