AromaDb: A Database of Plant's Aroma Molecules

2,6-Dimethoxyphenol Details

: IUPAC Name
NA
:Chemical Class
Alcohol
:CAS Registry Number
91-10-1
:Description

:Fragrance Type
woody

Physical and Chemical properties

PUBCHEM ID7041
Molecular Weight (mg/mol)154.168
Molecular FormulaC8H10O3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
IUPAC Name
Canonical SMILESCOc1cccc(OC)c1O
PUBCHEM IUPAC INCHIKEYKLIDCXVFHGNTTM-UHFFFAOYSA-N
Solubility Level4
Vapour Pressure-2.434

Absorption and Metabolism information

XLOGP3 AANA
CACTVS TPSA18.46
BBB Level2
Absorption Level0
EXT PPB#Prediction1
AlogP981.555
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 LD500.803647
Ocular IrritancySevere
Hepatotoxic#Prediction1
Effected Human GenesNA

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 91-10-1 NA NA NA NA NA
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 91-10-1 2,6-Dimethoxyphenol

Compound Image


2D Structure

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