2-Ethyl-6-Methylpyrazine Details

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Physical and Chemical properties

PUBCHEM ID	26332
CAS Registry Number	0.0
Aroma Threshold	0.0
Molecular Weight (g/mol)	122.168
Molecular Formula	C7H10N2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
IUPAC Name	2-ethyl-6-methylpyrazine
Canonical SMILES	CCc1cncc(C)n1
PUBCHEM IUPAC INCHIKEY	RAFHQTNQEZECFL-UHFFFAOYSA-N
Solubility Level	4
Vapour Pressure

Absorption and Metabolism information

XLOGP3 AA	1
CACTVS TPSA	25.8
BBB Level	2
Absorption Level	0
EXT PPB#Prediction	0
AlogP98	0.76
EXT CYP2D6#Prediction	0

Toxicological Information

Mouse Female FDA	Single-Carcinogen
Mouse Male FDA	Multi-Carcinogen
Rat Female FDA	Single-Carcinogen
Rat Male FDA	Multi-Carcinogen
Ames Prediction	Non-Mutagen
Developmental / Reproductive Toxicity	Non-Toxic
Rat Oral LD50	0.592189 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	Details	References (PubMed)	Other details EPA (U.S)	Clinical Trials (U.S. NIH)
1				13925-03-6	2-Ethyl-6-Methylpyrazine

Plant Variety and Essential oils

Serial No.	Plant Name	Variety Name	Essential Oil	Compound Percentage
1	Vetiver, Khus	Gulabi	Vetiveria zizanoides gulabi essential oil
2	Vetiver, Khus	Kesari	Vetiveria zizanoides Kesari essential oil
3	Vetiver, Khus	KS-1	Vetiveria zizanoides KS-1essential oil