AromaDb: A Database of Plant's Aroma Molecules

Phenethyl cinnamate Details

: IUPAC Name
Phenethyl cinnamate
:Chemical Class
:CAS Registry Number
:Description

:Fragrance Type
rose

Physical and Chemical properties

PUBCHEM ID5369459
Molecular Weight (mg/mol)252.315
Molecular FormulaC17H16O2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count8
IUPAC NamePhenethyl cinnamate
Canonical SMILESO=C(/C=C/c1ccccc1)OCCc2ccccc2
PUBCHEM IUPAC INCHIKEYMJQVZIANGRDJBT-VAWYXSNFSA-N
Solubility Level2
Vapour Pressure-4.721

Absorption and Metabolism information

XLOGP3 AANA
CACTVS TPSA26.3
BBB Level1
Absorption Level0
EXT PPB#Prediction1
AlogP984.057
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 LD502.33192
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
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 Phenethyl cinnamate

Compound Image


2D Structure

Download




Download Sdf File Download PDB File Download MOL File
View Similar Structures