AromaDb: A Database of Plant's Aroma Molecules

Anisyl methyl ketone Details

: IUPAC Name
1-p-Methoxyphenyl-2-propanone
:Chemical Class
:CAS Registry Number
102-17-0
:Description

:Fragrance Type
NA

Physical and Chemical properties

PUBCHEM ID31231
Molecular Weight (mg/mol)164.206
Molecular FormulaC16H16O3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
IUPAC Name1-p-Methoxyphenyl-2-propanone
Canonical SMILESCOc2ccc(COC(=O)Cc1ccccc1)cc2
PUBCHEM IUPAC INCHIKEYVCYWCSZLXMMLLE-UHFFFAOYSA-N
Solubility Level3
Vapour Pressure

Absorption and Metabolism information

XLOGP3 AANA
CACTVS TPSA29.1
BBB Level2
Absorption Level0
EXT PPB#Prediction0
AlogP981.578
EXT CYP2D6#Prediction0

Toxicological Information

Mouse Female FDANon-Carcinogen
Mouse Male FDAMulti-Carcinogen
Rat Female FDAMulti-Carcinogen
Rat Male FDANon-Carcinogen
Ames PredictionNon-Mutagen
Developmental / Reproductive ToxicityToxic
Rat Oral LD500.921599
Ocular IrritancyMild
Hepatotoxic#Prediction0
Effected Human GenesNA

Ecological Information

Aerobic Biodegradability PredictionDegradable

Hazard(s) Identification

Physical hazardsnot classified
Health hazards None
Environmental hazardsnot classified
About Table Headings

Compound Biological Activity

Serial No.Cas No Gene SymbolOrganismInteraction Interaction ActionsPubMed Id
1 102-17-0
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 102-17-0 Anisyl methyl ketone

Compound Image


2D Structure

Download




Download Sdf File Download PDB File Download MOL File
View Similar Structures