AromaDb: A Database of Plant's Aroma Molecules

4-Allylsyringol Details

: IUPAC Name
4-Allyl-2,6-dimethoxyphenol
:Chemical Class
:CAS Registry Number
123-69-3
:Description

:Fragrance Type
meaty

Physical and Chemical properties

PUBCHEM ID226486
Molecular Weight (mg/mol)194.233
Molecular FormulaC16H28O2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
IUPAC Name4-Allyl-2,6-dimethoxyphenol
Canonical SMILESO=C1CCCCC/C=CCCCCCCCCO1
PUBCHEM IUPAC INCHIKEYNVIPUOMWGQAOIT-RQOWECAXSA-N
Solubility Level3
Vapour Pressure-3.929

Absorption and Metabolism information

XLOGP3 AANA
CACTVS TPSA83.55
BBB Level1
Absorption Level0
EXT PPB#Prediction1
AlogP982.563
EXT CYP2D6#Prediction0

Toxicological Information

Mouse Female FDANon-Carcinogen
Mouse Male FDANon-Carcinogen
Rat Female FDANon-Carcinogen
Rat Male FDANon-Carcinogen
Ames PredictionNon-Mutagen
Developmental / Reproductive ToxicityToxic
Rat Oral LD500.657654
Ocular IrritancySevere
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
1 123-69-3 NA NA NA NA NA
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 123-69-3 4-Allylsyringol

Compound Image


2D Structure

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