AromaDb: A Database of Plant's Aroma Molecules

Dihydroeugenol Details

: IUPAC Name
2-Methoxy-4-propylphenol
:Chemical Class
:CAS Registry Number
2785-87-7
:Description

:Fragrance Type
floral balsamic

Physical and Chemical properties

PUBCHEM ID17739
Molecular Weight (mg/mol)166.222
Molecular FormulaC10H14O2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
IUPAC Name2-Methoxy-4-propylphenol
Canonical SMILESCCCc1ccc(O)c(OC)c1
PUBCHEM IUPAC INCHIKEYPXIKRTCSSLJURC-UHFFFAOYSA-N
Solubility Level3
Vapour Pressure-2.403

Absorption and Metabolism information

XLOGP3 AANA
CACTVS TPSA50.6
BBB Level1
Absorption Level0
EXT PPB#Prediction1
AlogP982.97
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 LD504.18163
Ocular IrritancySevere
Hepatotoxic#Prediction0
Effected Human GenesNA

Ecological Information

Aerobic Biodegradability PredictionNon-Degradable

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 2785-87-7
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 2785-87-7 Dihydroeugenol

Compound Image


2D Structure

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