AromaDb: A Database of Plant's Aroma Molecules

2-sec-Butylcyclohexanone Details

: IUPAC Name
:Chemical Class
:CAS Registry Number
:Description

:Fragrance Type
camphoraceous

Physical and Chemical properties

PUBCHEM ID61771
Molecular Weight (mg/mol)154.254
Molecular FormulaC10H18O
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
IUPAC Name
Canonical SMILESCC[C@@H](C)[C@@H]1CCCCC1=O
PUBCHEM IUPAC INCHIKEYRQXTZKGDMNIWJF-BDAKNGLRSA-N
Solubility Level3
Vapour Pressure

Absorption and Metabolism information

XLOGP3 AANA
CACTVS TPSA26.3
BBB Level1
Absorption Level0
EXT PPB#Prediction0
AlogP982.941
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 LD501.58708
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-sec-Butylcyclohexanone

Compound Image


2D Structure

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