AromaDb: A Database of Plant's Aroma Molecules

Allylphenylacetate Details

: IUPAC Name
Allylphenylacetate
:Chemical Class
:CAS Registry Number
:Description

:Fragrance Type
NA

Physical and Chemical properties

PUBCHEM ID23001441
Molecular Weight (mg/mol)175.209
Molecular FormulaC11H12O2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
IUPAC NameAllylphenylacetate
Canonical SMILESC=CC[C@H](C(=O)[O-])c1ccccc1
PUBCHEM IUPAC INCHIKEYIQZLXJUYCRPXRG-JTQLQIEISA-M
Solubility Level4
Vapour Pressure-1.476

Absorption and Metabolism information

XLOGP3 AANA
CACTVS TPSA44.45
BBB Level2
Absorption Level0
EXT PPB#Prediction1
AlogP981.004
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 ToxicityNon-Toxic
Rat Oral LD500.389817
Ocular IrritancyMild
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
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 Allylphenylacetate

Compound Image


2D Structure

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