AromaDb: A Database of Plant's Aroma Molecules

Nonylcyclohexane Details

: IUPAC Name
nonylcyclohexane
:Chemical Class
Alkane
:CAS Registry Number
05-02-83
:Description

:Fragrance Type

Physical and Chemical properties

PUBCHEM ID17900
Molecular Weight (mg/mol)210.399
Molecular FormulaC15H30
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count8
IUPAC Namenonylcyclohexane
Canonical SMILESCCCCCCCCCC1CCCCC1
PUBCHEM IUPAC INCHIKEYCLMFECCMAVQYQA-UHFFFAOYSA-N
Solubility Level1
Vapour Pressure-2.559

Absorption and Metabolism information

XLOGP3 AA7.8
CACTVS TPSA0
BBB Level0
Absorption Level2
EXT PPB#Prediction1
AlogP986.638
EXT CYP2D6#Prediction0

Toxicological Information

Mouse Female FDANon-Carcinogen
Mouse Male FDAMulti-Carcinogen
Rat Female FDASingle-Carcinogen
Rat Male FDANon-Carcinogen
Ames PredictionNon-Mutagen
Developmental / Reproductive ToxicityToxic
Rat Oral LD509.18117 g/kg_body_weight
Ocular IrritancyNone
Hepatotoxic#Prediction0
Effected Human Genes

Ecological Information

Aerobic Biodegradability PredictionDegradable

Hazard(s) Identification

Physical hazardsnot classified
Health hazards Severe
Environmental hazardsnot classified
About Table Headings

Compound Biological Activity

Serial No.Cas No Gene SymbolOrganismInteraction Interaction ActionsPubMed Id
1 05-02-83
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 05-02-83 Nonylcyclohexane

Compound Image


2D Structure

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