2-ethoxy-3-methylpyrazine

• ChemBase ID: 147399
• Molecular Formular: C7H10N2O
• Molecular Mass: 138.1671
• Monoisotopic Mass: 138.07931295
• SMILES: CCOc1c(nccn1)C
• Canonical SMILES: Cc1nccnc1OCC
• InChI: InChI=1S/C7H10N2O/c1-3-10-7-6(2)8-4-5-9-7/h4-5H,3H2,1-2H3
• InChIKey: MMKWCKGYULOKET-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethoxy-3-methylpyrazine
• IUPAC Traditional name: pyrazine, 2-ethoxy-3-methyl-
• Synonyms: 2-Ethoxy-3(5 or 6)-methylpyrazine, mixture of isomers; 2-Methyl-3(5 or 6)-ethoxypyrazine, mixture of isomers; 3-Ethoxy-2-methylpyrazine; 2-乙氧基-3(5或6)-甲基吡嗪，异构体混合物; 2-甲基-3(5或6)-乙氧基吡嗪，异构体混合物

Database IDs

• CAS Number: 32737-14-7; 65504-94-1
• EC Number: 265-794-5
• MDL Number: MFCD00038025
• PubChem SID: 162241587; 24901786
• PubChem CID: 122941
• FEMA ID: 3569
• Council of Europe Number: 11325

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.46284446
• LogD (pH = 7.4): 0.46286508
• Log P: 0.46286535
• Molar Refractivity: 37.861 cm^3
• Polarizability: 14.669757 Å^3
• Polar Surface Area: 35.01 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 150.8 °F; 66 °C
• Density: 1.038 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.494(lit.)
• Organoleptic: almond; earthy; pineapple

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36/37/39
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, 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: 95+%; 99%
• Grade: Halal; Kosher
• Empirical Formula (Hill Notation): C7H10N2O

DETAILS

Sigma Aldrich - W356905

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