AromaDb: A Database of Plant's Aroma Molecules

Allyl phenoxyacetate Details

: IUPAC Name
NA
:Chemical Class
:CAS Registry Number
7493-74-5
:Description

:Fragrance Type
pineapple

Physical and Chemical properties

PUBCHEM ID24117
Molecular Weight (mg/mol)192.217
Molecular FormulaC11H12O3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
IUPAC Name
Canonical SMILESC=CCOC(=O)COc1ccccc1
PUBCHEM IUPAC INCHIKEYVUFZVGQUAVDKMC-UHFFFAOYSA-N
Solubility Level3
Vapour Pressure-2.724

Absorption and Metabolism information

XLOGP3 AANA
CACTVS TPSA38.79
BBB Level2
Absorption Level0
EXT PPB#Prediction1
AlogP982.137
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 LD500.71684
Ocular IrritancyNone
Hepatotoxic#Prediction0
Effected Human GenesNA

Ecological Information

Aerobic Biodegradability PredictionDegradable

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 7493-74-5 NA NA NA NA NA
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 7493-74-5 Allyl phenoxyacetate

Compound Image


2D Structure

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