AromaDb: A Database of Plant's Aroma Molecules

Benzyl phenylacetate Details

: IUPAC Name
NA
:Chemical Class
:CAS Registry Number
102-16-9
:Description

:Fragrance Type
floral aroma

Physical and Chemical properties

PUBCHEM ID60999
Molecular Weight (mg/mol)226.277
Molecular FormulaC15H14O2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
IUPAC Name
Canonical SMILESO=C(Cc1ccccc1)OCc2ccccc2
PUBCHEM IUPAC INCHIKEYMIYFJEKZLFWKLZ-UHFFFAOYSA-N
Solubility Level3
Vapour Pressure

Absorption and Metabolism information

XLOGP3 AANA
CACTVS TPSA46.53
BBB Level1
Absorption Level0
EXT PPB#Prediction1
AlogP983.303
EXT CYP2D6#Prediction1

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 LD501.88278
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
1 102-16-9
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 102-16-9 Benzyl phenylacetate

Compound Image


2D Structure

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