2-ethyl-3-methoxypyrazine

• ChemBase ID: 6956
• Molecular Formular: C7H10N2O
• Molecular Mass: 138.1671
• Monoisotopic Mass: 138.07931295
• SMILES: CCc1nccnc1OC
• Canonical SMILES: COc1nccnc1CC
• InChI: InChI=1S/C7H10N2O/c1-3-6-7(10-2)9-5-4-8-6/h4-5H,3H2,1-2H3
• InChIKey: DPCILIMHENXHQX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethyl-3-methoxypyrazine
• IUPAC Traditional name: 2-ethyl-3-methoxypyrazine
• Synonyms: 2-METHOXY-3-ETHYLPYRAZINE; 2-Ethyl-3-methoxypyrazine; 2-Ethyl-3-methoxypyrazine; 2-乙基-3-甲氧基吡嗪

Database IDs

• CAS Number: 25680-58-4
• EC Number: 247-184-0
• MDL Number: MFCD00006129
• PubChem SID: 24857677; 160970263; 24902072
• PubChem CID: 33135
• FEMA ID: 3280
• Flavis Number: 14.112

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.80657864
• LogD (pH = 7.4): 0.80659306
• Log P: 0.80659324
• Molar Refractivity: 37.7393 cm^3
• Polarizability: 14.669312 Å^3
• Polar Surface Area: 35.01 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 187°C; 90 °C/40 mmHg(lit.); 90°C/40mm
• Flash Point: 156.2 °F; 69 °C; 69°C(156°F)
• Density: 1.029; 1.048; 1.049 g/mL at 25 °C(lit.)
• Refractive Index: 1.502; 1.5020; n20/D 1.502(lit.)

Safety Information

• Storage Warning: IRRITANT
• European Hazard Symbols: Irritant (Xi); Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22-37/38-41; 36/37/38
• Safety Statements: 26-36/37/39; 26-39
• TSCA Listed: true; 是
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H302-H315-H318-H335; H315-H319-H335
• GHS Precautionary statements: P261-P280-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Pharmacology Properties

• Allergens: no known allergens

Product Information

• Purity: ≥99%; 98%; 99%
• Grade: Kosher
• Empirical Formula (Hill Notation): C7H10N2O

DETAILS

MP Biomedicals - 05211624

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 293806

Packaging
1, 5 g in glass bottle

Sigma Aldrich - W514403

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