AromaDb: A Database of Plant's Aroma Molecules

2-Methylanisole Details

: IUPAC Name
1-methoxy-2-methylbenzene
:Chemical Class
Alcohol
:CAS Registry Number
578-58-5
:Description

:Fragrance Type
sweet aroma

Physical and Chemical properties

PUBCHEM ID33637
Molecular Weight (mg/mol)122.1644
Molecular FormulaC8H10O
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
IUPAC Name1-methoxy-2-methylbenzene
Canonical SMILESCOc1ccccc1C
PUBCHEM IUPAC INCHIKEYDTFKRVXLBCAIOZ-UHFFFAOYSA-N
Solubility Level
Vapour Pressure0.127

Absorption and Metabolism information

XLOGP3 AA
CACTVS TPSA
BBB Level
Absorption Level
EXT PPB#Prediction
AlogP98
EXT CYP2D6#Prediction

Toxicological Information

Mouse Female FDA
Mouse Male FDA
Rat Female FDA
Rat Male FDA
Ames Prediction
Developmental / Reproductive Toxicity
Rat Oral LD50
Ocular Irritancy
Hepatotoxic#Prediction
Effected Human GenesNA

Ecological Information

Aerobic Biodegradability Prediction

Hazard(s) Identification

Physical hazardsnot classified
Health hazards
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)

Plant Variety and Essential oils

Serial No.Plant NameVariety NameEssential OilCompound Percentage
1 Garden heliotrope Heliotropium floridum essential oil

Compound Image


2D Structure

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(External database - ChemAxon)