AromaDb: A Database of Plant's Aroma Molecules

Cyclohexyl propionate Details

: IUPAC Name
NA
:Chemical Class
:CAS Registry Number
6222-35-1
:Description

:Fragrance Type
Banana

Physical and Chemical properties

PUBCHEM ID61375
Molecular Weight (mg/mol)156.227
Molecular FormulaC9H16O2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
IUPAC Name
Canonical SMILESCCC(=O)OC1CCCCC1
PUBCHEM IUPAC INCHIKEYMAMMVUWCKMOLSG-UHFFFAOYSA-N
Solubility Level3
Vapour Pressure

Absorption and Metabolism information

XLOGP3 AANA
CACTVS TPSA43.37
BBB Level1
Absorption Level0
EXT PPB#Prediction1
AlogP982.546
EXT CYP2D6#Prediction0

Toxicological Information

Mouse Female FDANon-Carcinogen
Mouse Male FDAMulti-Carcinogen
Rat Female FDASingle-Carcinogen
Rat Male FDAMulti-Carcinogen
Ames PredictionNon-Mutagen
Developmental / Reproductive ToxicityToxic
Rat Oral LD502.58529
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 6222-35-1
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 6222-35-1 Cyclohexyl propionate

Compound Image


2D Structure

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