2,3-diethylpyrazine

• ChemBase ID: 149056
• Molecular Formular: C8H12N2
• Molecular Mass: 136.19428
• Monoisotopic Mass: 136.10004839
• SMILES: CCc1c(nccn1)CC
• Canonical SMILES: CCc1nccnc1CC
• InChI: InChI=1S/C8H12N2/c1-3-7-8(4-2)10-6-5-9-7/h5-6H,3-4H2,1-2H3
• InChIKey: GZXXANJCCWGCSV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-diethylpyrazine
• IUPAC Traditional name: pyrazine, 2,3-diethyl-
• Synonyms: 2,3-Diethylpyrazine; 2,3-Diethylpyrazine; 2,3-二乙基吡嗪

Database IDs

• CAS Number: 15707-24-1
• EC Number: 239-800-1
• MDL Number: MFCD00006151
• PubChem SID: 162243225; 24857624; 24901482
• PubChem CID: 27458
• FEMA ID: 3136
• Council of Europe Number: 534
• Flavis Number: 14.005

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.2016792
• LogD (pH = 7.4): 1.2017126
• Log P: 1.201713
• Molar Refractivity: 40.181 cm^3
• Polarizability: 15.747912 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 180-182 °C(lit.); 180-182°C
• Flash Point: 159.8 °F; 71 °C; 71°C(160°F)
• Density: 0.963; 0.963 g/mL at 25 °C(lit.)
• Refractive Index: 1.5000; n20/D 1.5(lit.)
• Organoleptic: hazelnut; meaty; earthy

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38; 37/38-41
• Safety Statements: 23-26-37; 26-39
• TSCA Listed: 是
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H315-H318-H335; H315-H319-H335-H227
• GHS Precautionary statements: P210-P305+P351+P338-P302+P352-P321-P405-P501A; P261-P280-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: ≥98%; 95+%; 98%
• Grade: Kosher; NI
• Empirical Formula (Hill Notation): C8H12N2

DETAILS

Sigma Aldrich - 292982

Packaging
5 g in glass bottle

Sigma Aldrich - W313602

Packaging
1 kg in glass bottle
1 sample in glass bottle
25, 100 g in glass bottle