AromaDb: A Database of Plant's Aroma Molecules

4-Vinylguaiacol Details

: IUPAC Name
4-ethenyl-2-methoxyphenol
:Chemical Class
Alcohol
:CAS Registry Number
7786-61-0
:Description

:Fragrance Type
curry

Physical and Chemical properties

PUBCHEM ID332
Molecular Weight (mg/mol)150.174
Molecular FormulaC9H10O2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
IUPAC Name4-ethenyl-2-methoxyphenol
Canonical SMILESC=Cc1ccc(O)c(OC)c1
PUBCHEM IUPAC INCHIKEYYOMSJEATGXXYPX-UHFFFAOYSA-N
Solubility Level3
Vapour Pressure-2.059

Absorption and Metabolism information

XLOGP3 AA
CACTVS TPSA29.5
BBB Level1
Absorption Level0
EXT PPB#Prediction1
AlogP982.123
EXT CYP2D6#Prediction0

Toxicological Information

Mouse Female FDANon-Carcinogen
Mouse Male FDAMulti-Carcinogen
Rat Female FDANon-Carcinogen
Rat Male FDANon-Carcinogen
Ames PredictionNon-Mutagen
Developmental / Reproductive ToxicityToxic
Rat Oral LD502.40001 g/kg_body_weight
Ocular IrritancyMild
Hepatotoxic#Prediction0
Effected Human Genes

Ecological Information

Aerobic Biodegradability PredictionNon-Degradable

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 7786-61-0 NA NA NA NA NA
2 7786-61-0 NA NA NA NA NA
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 7786-61-0 4-Vinylguaiacol

Plant Variety and Essential oils

Serial No.Plant NameVariety NameEssential OilCompound Percentage
1 Gurmari Gymnema sylvestre essential oil

Compound Image


2D Structure

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(External database - ChemAxon)