2-butoxypyridine

• ChemBase ID: 138312
• Molecular Formular: C9H13NO
• Molecular Mass: 151.20562
• Monoisotopic Mass: 151.09971404
• SMILES: CCCCOc1ccccn1
• Canonical SMILES: CCCCOc1ccccn1
• InChI: InChI=1S/C9H13NO/c1-2-3-8-11-9-6-4-5-7-10-9/h4-7H,2-3,8H2,1H3
• InChIKey: OFLSKXBALZCMCX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-butoxypyridine
• IUPAC Traditional name: 2-butoxypyridine
• Synonyms: 2-n-Butoxypyridine; 2-Butoxypyridine; 2-butoxypyridine; 2-正丁氧基吡啶; 2-丁氧基吡啶

Database IDs

• CAS Number: 27361-16-6
• EC Number: 248-428-9
• MDL Number: MFCD00006267
• PubChem SID: 162232568; 24848798
• PubChem CID: 95701

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.515148
• LogD (pH = 7.4): 2.5162446
• Log P: 2.5162587
• Molar Refractivity: 44.5514 cm^3
• Polarizability: 17.477232 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 36 - 38°C
• Boiling Point: 199-201°C; 200 °C(lit.)
• Flash Point: 167 °F; 75 °C; 75°C(167°F)
• Density: 0.975; 0.975 g/mL at 25 °C(lit.)
• Refractive Index: 1.492; n20/D 1.492(lit.)
• Hydrophobicity(logP): 3.052

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: 否
• 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: 95%
• Empirical Formula (Hill Notation): C9H13NO

DETAILS

Sigma Aldrich - 146846

Packaging
25 g in glass bottle