AromaDb: A Database of Plant's Aroma Molecules

2,3-Diethyl-5-methylpyrazine Details

: IUPAC Name
2,3-diethyl-5-methylpyrazine
:Chemical Class
:CAS Registry Number
18138-04-0
:Description

:Fragrance Type
nutty

Physical and Chemical properties

PUBCHEM ID28905
Molecular Weight (mg/mol)150.225
Molecular FormulaC9H14N2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
IUPAC Name
Canonical SMILESCCc1ncc(C)nc1CC
PUBCHEM IUPAC INCHIKEYPSINWXIDJYEXLO-UHFFFAOYSA-N
Solubility Level3
Vapour Pressure

Absorption and Metabolism information

XLOGP3 AANA
CACTVS TPSA29.43
BBB Level1
Absorption Level0
EXT PPB#Prediction0
AlogP981.71
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 LD501.05604
Ocular IrritancySevere
Hepatotoxic#Prediction1
Effected Human GenesNA

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 18138-04-0
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 18138-04-0 2,3-Diethyl-5-methylpyrazine

Compound Image


2D Structure

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