AromaDb: A Database of Plant's Aroma Molecules

2-Cyclopentylcyclopentanone Details

: IUPAC Name
2-Cyclopentylcyclopentanone
:Chemical Class
:CAS Registry Number
:Description

:Fragrance Type
minty aroma??

Physical and Chemical properties

PUBCHEM ID21003
Molecular Weight (mg/mol)152.238
Molecular FormulaC10H16O
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
IUPAC Name2-Cyclopentylcyclopentanone
Canonical SMILESO=C1[C@@H](C2CCCC2)CCC1
PUBCHEM IUPAC INCHIKEYCWZGKTMWPFTJCS-SECBINFHSA-N
Solubility Level3
Vapour Pressure-1.147

Absorption and Metabolism information

XLOGP3 AANA
CACTVS TPSA9.23
BBB Level1
Absorption Level0
EXT PPB#Prediction1
AlogP982.569
EXT CYP2D6#Prediction0

Toxicological Information

Mouse Female FDAMulti-Carcinogen
Mouse Male FDAMulti-Carcinogen
Rat Female FDASingle-Carcinogen
Rat Male FDANon-Carcinogen
Ames PredictionNon-Mutagen
Developmental / Reproductive ToxicityNon-Toxic
Rat Oral LD500.991317
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 2-Cyclopentylcyclopentanone

Compound Image


2D Structure

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