AromaDb: A Database of Plant's Aroma Molecules

Benzylphenylacetate Details

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

:Fragrance Type
honey-floral

Physical and Chemical properties

PUBCHEM ID18744
Molecular Weight (mg/mol)226.277
Molecular FormulaC15H14O2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count5
IUPAC NameBenzylphenylacetate
Canonical SMILESO=C(O)[C@@H](Cc1ccccc1)c2ccccc2
PUBCHEM IUPAC INCHIKEYPCRICPYPVZKEBZ-AWEZNQCLSA-N
Solubility Level3
Vapour Pressure

Absorption and Metabolism information

XLOGP3 AANA
CACTVS TPSA9.23
BBB Level1
Absorption Level0
EXT PPB#Prediction1
AlogP983.445
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 ToxicityNon-Toxic
Rat Oral LD500.461188
Ocular IrritancySevere
Hepatotoxic#Prediction0
Effected Human GenesNA

Ecological Information

Aerobic Biodegradability PredictionNon-Degradable

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 Benzylphenylacetate

Compound Image


2D Structure

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