2-methoxybutane

• ChemBase ID: 77283
• Molecular Formular: C5H12O
• Molecular Mass: 88.14818
• Monoisotopic Mass: 88.088815
• SMILES: O(C(C)CC)C
• Canonical SMILES: CCC(OC)C
• InChI: InChI=1S/C5H12O/c1-4-5(2)6-3/h5H,4H2,1-3H3
• InChIKey: FVNIMHIOIXPIQT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxybutane
• IUPAC Traditional name: sec-butyl methyl ether
• Synonyms: s-Butyl methyl ether; sec-Butyl methyl ether; 2-Methoxybutane; 仲丁基甲基醚; 仲-丁基甲基醚

Database IDs

• CAS Number: 6795-87-5
• MDL Number: MFCD00190205
• PubChem SID: 162042156; 24866569
• PubChem CID: 23238

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.4204549
• LogD (pH = 7.4): 1.4204549
• Log P: 1.4204549
• Molar Refractivity: 26.7039 cm^3
• Polarizability: 10.631582 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 57 °C/760 mmHg(lit.); 57°C
• Flash Point: -22 °F; -30 °C; -30°C(-22°F)
• Density: 0.742; 0.742 g/mL at 25 °C(lit.)
• Refractive Index: 1.372; n20/D 1.372(lit.)

Safety Information

• Storage Warning: Irritant
• RTECS: KN5249500
• European Hazard Symbols: Flammable (F)
• UN Number: 2350; UN2350
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 2; II
• Risk Statements: 11
• Safety Statements: 16-33; 7-16
• TSCA Listed: 否
• GHS Pictograms: GHS02
• GHS Signal Word: Danger
• GHS Hazard statements: H225
• GHS Precautionary statements: P210; P210-P241-P280-P303+P361+P353-P403+P235-P501A
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US)
• RID/ADR: UN 2350 3/PG 2

Product Information

• Purity: 99%
• Linear Formula: C2H5CH(CH3)OCH3

DETAILS

Sigma Aldrich - 424463

Packaging
5, 25 mL in glass bottle