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Benzylcarbinyl phenylacetate Details

: IUPAC Name
Phenethylphenylacetate
:Chemical Class
:CAS Registry Number
102-20-5
:Description

:Fragrance Type
rose

Physical and Chemical properties

PUBCHEM ID7601
Molecular Weight (mg/mol)240.304
Molecular FormulaC16H16O2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
IUPAC NamePhenethylphenylacetate
Canonical SMILESO=C(Cc1ccccc1)OCCc2ccccc2
PUBCHEM IUPAC INCHIKEYZOZIRNMDEZKZHM-UHFFFAOYSA-N
Solubility Level2
Vapour Pressure-3.945

Absorption and Metabolism information

XLOGP3 AANA
CACTVS TPSA50.6
BBB Level1
Absorption Level0
EXT PPB#Prediction1
AlogP983.624
EXT CYP2D6#Prediction1

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 LD502.75898
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
1 102-20-5
2 102-20-5
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 102-20-5 Benzylcarbinyl phenylacetate

Compound Image


2D Structure

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