AromaDb: A Database of Plant's Aroma Molecules

Dimethylquinoline Details

: IUPAC Name
4,8-dimethylquinoline
:Chemical Class
:CAS Registry Number
:Description

:Fragrance Type

Physical and Chemical properties

PUBCHEM ID34222
Molecular Weight (mg/mol)157.212
Molecular FormulaC11H11N
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
IUPAC Name4,8-dimethylquinoline
Canonical SMILESCc1ccnc2c(C)cccc12
PUBCHEM IUPAC INCHIKEYDULGUAMZWACUFO-UHFFFAOYSA-N
Solubility Level2
Vapour Pressure-2.471

Absorption and Metabolism information

XLOGP3 AA2.9
CACTVS TPSA12.9
BBB Level1
Absorption Level0
EXT PPB#Prediction1
AlogP982.988
EXT CYP2D6#Prediction0

Toxicological Information

Mouse Female FDAMulti-Carcinogen
Mouse Male FDASingle-Carcinogen
Rat Female FDANon-Carcinogen
Rat Male FDAMulti-Carcinogen
Ames PredictionMutagen
Developmental / Reproductive ToxicityNon-Toxic
Rat Oral LD500.162805 g/kg_body_weight
Ocular IrritancySevere
Hepatotoxic#Prediction1
Effected Human Genes

Ecological Information

Aerobic Biodegradability PredictionNon-Degradable

Hazard(s) Identification

Physical hazardsnot classified
Health hazards Mild
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 Dimethylquinoline

Plant Variety and Essential oils

Serial No.Plant NameVariety NameEssential OilCompound Percentage
1 Vetiver, Khus KS-1 Vetiveria zizanoides KS-1essential oil
2 Vetiver, Khus CIMAP-Khus 15 Vetiveria zizanoides CIMAP-KHUS 15 essential oil

Compound Image


2D Structure

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(External database - ChemAxon)