AromaDb: A Database of Plant's Aroma Molecules

3-Ethyl-2,6-Dimethylpyrazine Details

: IUPAC Name
3-ethyl-2,5-dimethylpyrazine
:Chemical Class
:CAS Registry Number
13360-65-1
:Description

:Fragrance Type
balsamic

Physical and Chemical properties

PUBCHEM ID25916
Molecular Weight (mg/mol)136.194
Molecular FormulaC8H12N2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
IUPAC Name3-ethyl-2,5-dimethylpyrazine
Canonical SMILESCCc1nc(C)cnc1C
PUBCHEM IUPAC INCHIKEYWHMWOHBXYIZFPF-UHFFFAOYSA-N
Solubility Level4
Vapour Pressure

Absorption and Metabolism information

XLOGP3 AA
CACTVS TPSA25.8
BBB Level2
Absorption Level0
EXT PPB#Prediction0
AlogP981.043
EXT CYP2D6#Prediction0

Toxicological Information

Mouse Female FDASingle-Carcinogen
Mouse Male FDAMulti-Carcinogen
Rat Female FDAMulti-Carcinogen
Rat Male FDAMulti-Carcinogen
Ames PredictionNon-Mutagen
Developmental / Reproductive ToxicityNon-Toxic
Rat Oral LD500.622477 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 13360-65-1
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 13360-65-1 3-Ethyl-2,6-Dimethylpyrazine

Plant Variety and Essential oils

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

Compound Image


2D Structure

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(External database - ChemAxon)