AromaDb: A Database of Plant's Aroma Molecules

1-Cyclohexylnonene Details

: IUPAC Name
[(E)-non-1-enyl]cyclohexane
:Chemical Class
Alkene
:CAS Registry Number
:Description

:Fragrance Type
NA

Physical and Chemical properties

PUBCHEM ID5364533
Molecular Weight (mg/mol)208.383
Molecular FormulaC15H28
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count7
IUPAC Name[(E)-non-1-enyl]cyclohexane
Canonical SMILESCCCCCCC/C=C/C1CCCCC1
PUBCHEM IUPAC INCHIKEYMBCLPXXVLKGFPM-FMIVXFBMSA-N
Solubility Level2
Vapour Pressure-2.54

Absorption and Metabolism information

XLOGP3 AA7
CACTVS TPSA0
BBB Level0
Absorption Level2
EXT PPB#Prediction1
AlogP986.193
EXT CYP2D6#Prediction1

Toxicological Information

Mouse Female FDANon-Carcinogen
Mouse Male FDAMulti-Carcinogen
Rat Female FDANon-Carcinogen
Rat Male FDANon-Carcinogen
Ames PredictionNon-Mutagen
Developmental / Reproductive ToxicityNon-Toxic
Rat Oral LD505.98172 g/kg_body_weight
Ocular IrritancyNone
Hepatotoxic#Prediction0
Effected Human Genes

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 1-Cyclohexylnonene

Compound Image


2D Structure

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