AromaDb: A Database of Plant's Aroma Molecules

4-Vinylphenol Details

: IUPAC Name
4-ethenylphenol
:Chemical Class
:CAS Registry Number
2628-17-3
:Description

:Fragrance Type
vanilla

Physical and Chemical properties

PUBCHEM ID62453
Molecular Weight (mg/mol)120.149
Molecular FormulaC8H8O
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
IUPAC Name4-ethenylphenol
Canonical SMILESC=Cc1ccc(O)cc1
PUBCHEM IUPAC INCHIKEYFUGYGGDSWSUORM-UHFFFAOYSA-N
Solubility Level4
Vapour Pressure-1.901

Absorption and Metabolism information

XLOGP3 AA
CACTVS TPSA20.2
BBB Level1
Absorption Level0
EXT PPB#Prediction0
AlogP982.139
EXT CYP2D6#Prediction0

Toxicological Information

Mouse Female FDAMulti-Carcinogen
Mouse Male FDAMulti-Carcinogen
Rat Female FDAMulti-Carcinogen
Rat Male FDAMulti-Carcinogen
Ames PredictionNon-Mutagen
Developmental / Reproductive ToxicityToxic
Rat Oral LD500.758578 g/kg_body_weight
Ocular IrritancySevere
Hepatotoxic#Prediction0
Effected Human Genes

Ecological Information

Aerobic Biodegradability PredictionNon-Degradable

Hazard(s) Identification

Physical hazardsnot classified
Health hazards None
Environmental hazardsnot classified
About Table Headings

Compound Biological Activity

Serial No.Cas No Gene SymbolOrganismInteraction Interaction ActionsPubMed Id
1 2628-17-3 NA NA NA NA NA
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 2628-17-3 4-Vinylphenol

Plant Variety and Essential oils

Serial No.Plant NameVariety NameEssential OilCompound Percentage
1 Scotch spearmint Mukta Mentha X gracilis Mukta essential oil

Compound Image


2D Structure

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(External database - ChemAxon)