AromaDb: A Database of Plant's Aroma Molecules

Acetyl eugenol Details

: IUPAC Name
Eugenylacetate
:Chemical Class
:CAS Registry Number
93-28-7
:Description

:Fragrance Type
Mild clove aroma??????

Physical and Chemical properties

PUBCHEM ID7136
Molecular Weight (mg/mol)206.244
Molecular FormulaC12H14O3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
IUPAC NameEugenylacetate
Canonical SMILESC=CCc1ccc(OC(C)=O)c(OC)c1
PUBCHEM IUPAC INCHIKEYSCCDQYPEOIRVGX-UHFFFAOYSA-N
Solubility Level3
Vapour Pressure-2.754

Absorption and Metabolism information

XLOGP3 AANA
CACTVS TPSA34.14
BBB Level1
Absorption Level0
EXT PPB#Prediction1
AlogP982.589
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 LD501.95522
Ocular IrritancyMild
Hepatotoxic#Prediction0
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 93-28-7 NA NA NA NA NA
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 93-28-7 Acetyl eugenol

Compound Image


2D Structure

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