AromaDb: A Database of Plant's Aroma Molecules

Methyl Quinoline Details

: IUPAC Name
2-methylquinoline
:Chemical Class
:CAS Registry Number
91-63-4
:Description

:Fragrance Type

Physical and Chemical properties

PUBCHEM ID 7060
CAS Registry Number 0.0
Aroma Threshold 0.0
Molecular Weight (g/mol) 143.185
Molecular Formula C10H9N
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 1
Rotatable Bond Count 0
IUPAC Name 2-methylquinoline
Canonical SMILES Cc2ccc1ccccc1n2
PUBCHEM IUPAC INCHIKEY SMUQFGGVLNAIOZ-UHFFFAOYSA-N
Solubility Level 3
Vapour Pressure -1.948

Absorption and Metabolism information

XLOGP3 AA
CACTVS TPSA 12.9
BBB Level 1
Absorption Level 0
EXT PPB#Prediction 1
AlogP98 2.298
EXT CYP2D6#Prediction 0

Toxicological Information

Mouse Female FDA Single-Carcinogen
Mouse Male FDA Single-Carcinogen
Rat Female FDA Single-Carcinogen
Rat Male FDA Single-Carcinogen
Ames Prediction Mutagen
Developmental / Reproductive Toxicity Non-Toxic
Rat Oral LD50 1.60997 g/kg_body_weight
Ocular Irritancy Severe
Hepatotoxic#Prediction 1
Effected Human Genes

Ecological Information

Aerobic Biodegradability Prediction Non-Degradable

Hazard(s) Identification

Physical hazards not classified
Health hazards Mild
Environmental hazards not classified
About Table Headings

Compound Biological Activity

Serial No. Activity Name DetailsReferences (PubMed)Other details EPA (U.S) Clinical Trials (U.S. NIH)
1 91-63-4 Methyl Quinoline

Plant Variety and Essential oils

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

Compound Image


2D Structure

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