AromaDb: A Database of Plant's Aroma Molecules

1-Cyclopentyl-4-N-Octyldodecane Details

: IUPAC Name
4-octyldodecylcyclopentane
:Chemical Class
Alkane
:CAS Registry Number
05-09-38
:Description

:Fragrance Type

Physical and Chemical properties

PUBCHEM ID294710
Molecular Weight (mg/mol)350.664
Molecular FormulaC25H50
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count18
IUPAC Name4-octyldodecylcyclopentane
Canonical SMILESCCCCCCCCC(CCCCCCCC)CCCC1CCCC1
PUBCHEM IUPAC INCHIKEYLEMCTUNZNGDMNT-UHFFFAOYSA-N
Solubility Level0
Vapour Pressure-5.823

Absorption and Metabolism information

XLOGP3 AA13
CACTVS TPSA0
BBB Level4
Absorption Level3
EXT PPB#Prediction1
AlogP9810.996
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 ToxicityNon-Toxic
Rat Oral LD5021.1286 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 05-09-38
2 05-09-38 NA NA NA NA NA
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 05-09-38 1-Cyclopentyl-4-N-Octyldodecane

Compound Image


2D Structure

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