AromaDb: A Database of Plant's Aroma Molecules

4-Propenyl-2,6-dimethoxyphenol Details

: IUPAC Name
4-Propenyl-2,6-dimethoxyphenol
:Chemical Class
:CAS Registry Number
:Description

:Fragrance Type
spicy aroma??

Physical and Chemical properties

PUBCHEM ID5352905
Molecular Weight (mg/mol)194.233
Molecular FormulaC11H14O3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
IUPAC Name4-Propenyl-2,6-dimethoxyphenol
Canonical SMILESC/C=C/c1cc(OC)c(O)c(OC)c1
PUBCHEM IUPAC INCHIKEYYFHOHYAUMDHSBX-SNAWJCMRSA-N
Solubility Level3
Vapour Pressure-3.728

Absorption and Metabolism information

XLOGP3 AANA
CACTVS TPSA52.6
BBB Level1
Absorption Level0
EXT PPB#Prediction1
AlogP982.509
EXT CYP2D6#Prediction0

Toxicological Information

Mouse Female FDANon-Carcinogen
Mouse Male FDAMulti-Carcinogen
Rat Female FDANon-Carcinogen
Rat Male FDASingle-Carcinogen
Ames PredictionNon-Mutagen
Developmental / Reproductive ToxicityToxic
Rat Oral LD501.20281
Ocular IrritancyMild
Hepatotoxic#Prediction0
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
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 4-Propenyl-2,6-dimethoxyphenol

Compound Image


2D Structure

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