AromaDb: A Database of Plant's Aroma Molecules

Cyclohexyl beta-phenylacrylate Details

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

:Fragrance Type
Almond

Physical and Chemical properties

PUBCHEM ID5357153
Molecular Weight (mg/mol)230.309
Molecular FormulaC15H18O2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
IUPAC NameCyclohexylcinnamate
Canonical SMILESO=C(/C=C/c1ccccc1)OC2CCCCC2
PUBCHEM IUPAC INCHIKEYGCFAUZGWPDYAJN-VAWYXSNFSA-N
Solubility Level2
Vapour Pressure

Absorption and Metabolism information

XLOGP3 AANA
CACTVS TPSA37.29
BBB Level1
Absorption Level0
EXT PPB#Prediction1
AlogP984.011
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 LD501.15706
Ocular IrritancyMild
Hepatotoxic#Prediction0
Effected Human GenesNA

Ecological Information

Aerobic Biodegradability PredictionDegradable

Hazard(s) Identification

Physical hazardsnot classified
Health hazards Moderate
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 Cyclohexyl beta-phenylacrylate

Compound Image


2D Structure

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