AromaDb: A Database of Plant's Aroma Molecules

Dimethyl resorcinol Details

: IUPAC Name
m-Dimethoxybenzene
:Chemical Class
:CAS Registry Number
151-10-0
:Description

:Fragrance Type
nut-like aroma??????

Physical and Chemical properties

PUBCHEM ID9025
Molecular Weight (mg/mol)138.168
Molecular FormulaC8H10O2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
IUPAC Namem-Dimethoxybenzene
Canonical SMILESCOc1cccc(OC)c1
PUBCHEM IUPAC INCHIKEYDPZNOMCNRMUKPS-UHFFFAOYSA-N
Solubility Level3
Vapour Pressure-0.779

Absorption and Metabolism information

XLOGP3 AANA
CACTVS TPSA20.23
BBB Level1
Absorption Level0
EXT PPB#Prediction0
AlogP981.797
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 LD501.46108
Ocular IrritancyMild
Hepatotoxic#Prediction1
Effected Human GenesNA

Ecological Information

Aerobic Biodegradability PredictionDegradable

Hazard(s) Identification

Physical hazardsnot classified
Health hazards Moderate
Environmental hazardsnot classified
About Table Headings

Compound Biological Activity

Serial No.Cas No Gene SymbolOrganismInteraction Interaction ActionsPubMed Id
1 151-10-0 NA NA NA NA NA
2 151-10-0 NA NA NA NA NA
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 151-10-0 Dimethyl resorcinol

Compound Image


2D Structure

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