AromaDb: A Database of Plant's Aroma Molecules

Cinnamyl propionate Details

: IUPAC Name
NA
:Chemical Class
:CAS Registry Number
78761-38-3
:Description

:Fragrance Type
fruity-floral

Physical and Chemical properties

PUBCHEM ID7661
Molecular Weight (mg/mol)190.244
Molecular FormulaC12H14O2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count7
IUPAC Name
Canonical SMILESCCC(=O)OC/C=C/c1ccccc1
PUBCHEM IUPAC INCHIKEYKGDJMNKPBUNHGY-RMKNXTFCSA-N
Solubility Level3
Vapour Pressure

Absorption and Metabolism information

XLOGP3 AANA
CACTVS TPSA26.3
BBB Level1
Absorption Level0
EXT PPB#Prediction1
AlogP982.739
EXT CYP2D6#Prediction0

Toxicological Information

Mouse Female FDANon-Carcinogen
Mouse Male FDAMulti-Carcinogen
Rat Female FDANon-Carcinogen
Rat Male FDASingle-Carcinogen
Ames PredictionNon-Mutagen
Developmental / Reproductive ToxicityToxic
Rat Oral LD501.92531
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 78761-38-3
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 78761-38-3 Cinnamyl propionate

Compound Image


2D Structure

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