AromaDb: A Database of Plant's Aroma Molecules

Methyl Chavicol Details

: IUPAC Name
4-prop-2-enylphenol
:Chemical Class
:CAS Registry Number
501-92-8
:Description

:Fragrance Type

Physical and Chemical properties

PUBCHEM ID68148
Molecular Weight (mg/mol)134.175
Molecular FormulaC9H10O
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
IUPAC Name4-prop-2-enylphenol
Canonical SMILESC=CCc1ccc(O)cc1
PUBCHEM IUPAC INCHIKEYRGIBXDHONMXTLI-UHFFFAOYSA-N
Solubility Level3
Vapour Pressure-1.511

Absorption and Metabolism information

XLOGP3 AA
CACTVS TPSA20.2
BBB Level1
Absorption Level0
EXT PPB#Prediction0
AlogP982.595
EXT CYP2D6#Prediction0

Toxicological Information

Mouse Female FDAMulti-Carcinogen
Mouse Male FDAMulti-Carcinogen
Rat Female FDAMulti-Carcinogen
Rat Male FDANon-Carcinogen
Ames PredictionNon-Mutagen
Developmental / Reproductive ToxicityToxic
Rat Oral LD500.399296 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 Mild
Environmental hazardsnot classified
About Table Headings

Compound Biological Activity

Serial No.Cas No Gene SymbolOrganismInteraction Interaction ActionsPubMed Id
1 501-92-8
2 501-92-8
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 501-92-8 Methyl Chavicol

Compound Image


2D Structure

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(External database - ChemAxon)