2-ethyl-6-methylpyrazine

• ChemBase ID: 144528
• Molecular Formular: C7H10N2
• Molecular Mass: 122.1677
• Monoisotopic Mass: 122.08439833
• SMILES: CCc1cncc(n1)C
• Canonical SMILES: CCc1cncc(n1)C
• InChI: InChI=1S/C7H10N2/c1-3-7-5-8-4-6(2)9-7/h4-5H,3H2,1-2H3
• InChIKey: RAFHQTNQEZECFL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethyl-6-methylpyrazine
• IUPAC Traditional name: 2-ethyl-6-methylpyrazine
• Synonyms: 2-Ethyl-6-methylpyrazine

Database IDs

• CAS Number: 13925-03-6
• MDL Number: MFCD00055035
• PubChem SID: 162238740
• PubChem CID: 26332
• FEMA ID: 3919
• Flavis Number: 14.114

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.50105095
• LogD (pH = 7.4): 0.5011756
• Log P: 0.50117713
• Molar Refractivity: 35.5541 cm^3
• Polarizability: 13.904847 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 140 °F; 60 °C
• Density: 0.968 g/mL at 25 °C
• Refractive Index: n20/D 1.498
• Organoleptic: potato; grassy

Safety Information

• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 10-22
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H226-H302

Product Information

• Purity: 95%
• Grade: Kosher; natural
• Empirical Formula (Hill Notation): C7H10N2

DETAILS

Sigma Aldrich - W391915

Packaging
1 sample in glass bottle
50 g in glass bottle