2,3-diethyl-5-methylpyrazine

• ChemBase ID: 107155
• Molecular Formular: C9H14N2
• Molecular Mass: 150.22086
• Monoisotopic Mass: 150.11569846
• SMILES: CCc1ncc(C)nc1CC
• Canonical SMILES: CCc1nc(C)cnc1CC
• InChI: InChI=1S/C9H14N2/c1-4-8-9(5-2)11-7(3)6-10-8/h6H,4-5H2,1-3H3
• InChIKey: PSINWXIDJYEXLO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-diethyl-5-methylpyrazine
• IUPAC Traditional name: 2,3-diethyl-5-methylpyrazine
• Synonyms: 2,3-DIETHYL-5-METHYLPYRAZINE; 2,3-Diethyl-5-methylpyrazine; 2,3-二乙基-5-甲基吡嗪

Database IDs

• CAS Number: 18138-04-0
• EC Number: 242-024-6
• MDL Number: MFCD00009635
• PubChem SID: 24901650; 24857678; 162094277
• PubChem CID: 28905
• FEMA ID: 3336
• Council of Europe Number: 11303
• Flavis Number: 14.056

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.3329839
• LogD (pH = 7.4): 1.333082
• Log P: 1.3330832
• Molar Refractivity: 44.7725 cm^3
• Polarizability: 17.514303 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 190°C
• Flash Point: 176 °F; 80 °C; 80°C(176°F)
• Density: 0.949; 0.949 g/mL at 25 °C(lit.)
• Refractive Index: 1.4980; n20/D 1.498(lit.)
• Organoleptic: hazelnut; vegetable; meaty

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36/37/39; 26-37
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335; H315-H319-H335-H227
• GHS Precautionary statements: P210-P305+P351+P338-P302+P352-P321-P405-P501A; P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: ≥97%; 95+%; 98+%; 99%
• Grade: Kosher; NI
• Empirical Formula (Hill Notation): C9H14N2

DETAILS

MP Biomedicals - 05202748

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 293814

Packaging
5 g in glass bottle

Sigma Aldrich - W333603

Packaging
1 kg in glass bottle
1 sample in glass bottle
100, 250 g in glass bottle