AromaDb: A Database of Plant's Aroma Molecules

o-Cresyl methyl ether Details

: IUPAC Name
o-Methylanisole
:Chemical Class
:CAS Registry Number
578-58-5
:Description

:Fragrance Type
grassy

Physical and Chemical properties

PUBCHEM ID33637
Molecular Weight (mg/mol)122.168
Molecular FormulaC8H10O
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
IUPAC Nameo-Methylanisole
Canonical SMILESCOc1ccccc1C
PUBCHEM IUPAC INCHIKEYDTFKRVXLBCAIOZ-UHFFFAOYSA-N
Solubility Level3
Vapour Pressure0.127

Absorption and Metabolism information

XLOGP3 AANA
CACTVS TPSA20.23
BBB Level1
Absorption Level0
EXT PPB#Prediction1
AlogP982.299
EXT CYP2D6#Prediction0

Toxicological Information

Mouse Female FDAMulti-Carcinogen
Mouse Male FDAMulti-Carcinogen
Rat Female FDANon-Carcinogen
Rat Male FDANon-Carcinogen
Ames PredictionNon-Mutagen
Developmental / Reproductive ToxicityNon-Toxic
Rat Oral LD500.467461
Ocular IrritancyMild
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
1 578-58-5 NA NA NA NA NA
2 578-58-5 NA NA NA NA NA
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 578-58-5 o-Cresyl methyl ether

Compound Image


2D Structure

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