2-ethoxy-3-ethylpyrazine

• ChemBase ID: 109644
• Molecular Formular: C8H12N2O
• Molecular Mass: 152.19368
• Monoisotopic Mass: 152.09496301
• SMILES: CCOc1nccnc1CC
• Canonical SMILES: CCOc1nccnc1CC
• InChI: InChI=1S/C8H12N2O/c1-3-7-8(11-4-2)10-6-5-9-7/h5-6H,3-4H2,1-2H3
• InChIKey: TYSHGGVMHVIOMH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethoxy-3-ethylpyrazine
• IUPAC Traditional name: 2-ethoxy-3-ethylpyrazine
• Synonyms: 2-ETHOXY-3-ETHYLPYRAZINE; 2-Ethoxy-3-ethylpyrazine

Database IDs

• CAS Number: 35243-43-7
• MDL Number: MFCD00038026
• PubChem SID: 162105754
• PubChem CID: 520722
• FEMA ID: 4633

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.163387
• LogD (pH = 7.4): 1.163401
• Log P: 1.1634012
• Molar Refractivity: 42.4879 cm^3
• Polarizability: 16.507277 Å^3
• Polar Surface Area: 35.01 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 159.8 °F; 71 °C
• Density: 1.011 g/mL at 25 °C
• Refractive Index: n20/D 1.493
• Organoleptic: potato

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 37/38-41
• Safety Statements: 26-39
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H315-H318-H335
• GHS Precautionary statements: P261-P280-P305 + P351 + P338

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C8H12N2O

DETAILS

MP Biomedicals - 05212005

MP Biomedicals Rare Chemical collection

Sigma Aldrich - W463305

Packaging
1 sample in glass bottle
100, 500 g in poly bottle