20256

tert-Butyl methyl ether

puriss. p.a., ≥99.5% (GC)

• Synonym(s): MTBE, Methyl tert-butyl ether
• Linear Formula: (CH₃)₃COCH₃
• CAS Number: 1634-04-4
• Molecular Weight: 88.15
• Beilstein/REAXYS Number: 1730942
• EC Number: 216-653-1
• MDL number: MFCD00008812
• UNSPSC Code: 12352112
• PubChem Substance ID: 329751997
• NACRES: NA.07

Properties

• vapor density: 3.1 (vs air)
• Quality Level: 100
• vapor pressure: 4.05 psi
• grade: puriss. p.a.
• assay: ≥99.5% (GC)
• form: liquid
• autoignition temp.: 705 °F
• expl. lim.: 15.1 %
• impurities: ≤0.0005% peroxides (as H₂O₂); ≤0.005% free acid (as CH₃COOH); ≤0.05% water
• evapn. residue: ≤0.005%
• refractive index: n20/D 1.362-1.376; n20/D 1.369 (lit.)
• bp: 55-56 °C (lit.)
• mp: -110 °C
• density: 0.736-0.744 g/mL at 20 °C; 0.74 g/mL at 25 °C (lit.)
• cation traces: Al: ≤0.5 mg/kg; Ba: ≤0.1 mg/kg; Bi: ≤0.1 mg/kg; Ca: ≤0.5 mg/kg; Cd: ≤0.05 mg/kg; Co: ≤0.02 mg/kg; Cr: ≤0.02 mg/kg; Cu: ≤0.02 mg/kg; Fe: ≤0.1 mg/kg; K: ≤0.5 mg/kg; Li: ≤0.1 mg/kg; Mg: ≤0.1 mg/kg; Mn: ≤0.02 mg/kg; Mo: ≤0.1 mg/kg; Na: ≤0.5 mg/kg; Ni: ≤0.02 mg/kg; Pb: ≤0.1 mg/kg; Sr: ≤0.1 mg/kg; Zn: ≤0.1 mg/kg
• SMILES string: COC(C)(C)C
• InChI: 1S/C5H12O/c1-5(2,3)6-4/h1-4H3
• InChI key: BZLVMXJERCGZMT-UHFFFAOYSA-N

Description

General description

tert-Butyl methyl ether (TBME) TBME is a common organic solvent used in the Grignard reaction as an alternative to tetrahydrofuran. TBME has been reported to be a butylating agent for active aromatic systems. TBME is also used to facilitate tert-butyl esterification under microwave conditions.

Application

tert-Butyl methyl ether is used as a solvent:

• In the synthesis of acyl azides.
• In the production of biodiesel.

Safety Information

• pictograms: GHS02,GHS07
• signalword: Danger
• hcodes: H225,H315
• pcodes: P210 - P233 - P240 - P241 - P242 - P303 + P361 + P353
• Hazard Classifications: Flam. Liq. 2 - Skin Irrit. 2
• Storage Class: 3 - Flammable liquids
• wgk_germany: WGK 1
• flash_point_f: -18.4 °F - closed cup
• flash_point_c: -28 °C - closed cup