2-Acetyl-3-methylpyrazine

• CAS: 23787-80-6
• Catalog Number: ACM23787806
• Category: Other Products
• Molecular Weight: 136.15
• Molecular Formula: C₇H₈N₂O
• Synonyms: Pyrazine, 2-acetyl-3-methyl
• IUPAC Name: 1-(3-Methylpyrazin-2-yl)ethanone
• Canonical SMILES: CC1=NC=CN=C1C(=O)C
• InChI: InChI=1S/C7H8N2O/c1-5-7(6(2)10)9-4-3-8-5/h3-4H,1-2H3
• InChI Key: QUNOTZOHYZZWKQ-UHFFFAOYSA-N
• Boiling Point: 90 °C
• Melting Point: 90ºC (20 torr)
• Flash Point: 176 °F
• Density: 1.114 g/mL at 25 °C(lit.)
• Solubility: Soluble in water, organic solvents, oils
• Appearance: Clear slightly yellow liquid.
• EC Number: 245-889-8
• Exact Mass: 136.063662883
• Hazard Statements: Xi
• H-Bond Acceptor: 3
• H-Bond Donor: 0
• Monoisotopic Mass: 136.063662883
• Odor: Nutty, roasted grain, baked potato odor
• Physical State: Liquid
• Refractive Index: n20/D 1.521(lit.)
• Safety Description: S24/25
• Stability: Stable under normal temperatures and pressures.
• Storage Conditions: Dark place,inert atmosphere,2-8 °C
• Topological Polar Surface Area: 42.8 Ų
• WGK Germany: 3