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tert-Butylbenzene

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tert-Butylbenzene Basic information
tert-Butylbenzene Chemical Properties
  • Melting point:-58 °C
  • Boiling point:169 °C(lit.)
  • Density 0.867 g/mL at 25 °C(lit.)
  • vapor density 3.16 (169 °C, vs air)
  • vapor pressure 4.79 mm Hg ( 37.7 °C)
  • refractive index n20/D 1.492(lit.)
  • Flash point:94 °F
  • storage temp. Flammables area
  • solubility 29.5mg/l
  • form Liquid
  • pka>14 (Schwarzenbach et al., 1993)
  • color Clear colorless to yellow
  • explosive limit0.8-5.6%(V)
  • Water Solubility 0.03 g/L (20 ºC)
  • Merck 14,1551
  • BRN 1421537
  • Henry's Law Constant(x 10-2 atm?m3/mol): 1.17 at 25 °C (Hine and Mookerjee, 1975)
  • Stability:Stable. Flammable. Incompatible with oxidizing agents, combustible material.
  • CAS DataBase Reference98-06-6(CAS DataBase Reference)
  • NIST Chemistry ReferenceBenzene, tert-butyl-(98-06-6)
  • EPA Substance Registry Systemtert-Butylbenzene (98-06-6)
Safety Information
MSDS
tert-Butylbenzene Usage And Synthesis
  • Chemical Propertiescolourless liquid with an aromatic odour
  • UsesOrganic synthesis, polymerization solvent, polymer linking agent.
  • Synthesis Reference(s)The Journal of Organic Chemistry, 33, p. 923, 1968 DOI: 10.1021/jo01266a122
    Tetrahedron Letters, 25, p. 4851, 1984 DOI: 10.1016/S0040-4039(01)91241-9
  • HazardToxic by ingestion.
  • Safety ProfileMildly toxic by ingestion. Flammable liquid when exposed to heat or flame. To fight fire, use foam, CO2, dry chemical, water spray, fog, mist. Incompatible with oxidizing materials. When heated to decomposition it emits acrid smoke and fumes
  • Environmental FatePhotolytic. At 25 °C, a rate constant of 4.58 x 10-12 cm3/molecule?sec was reported for the gasphase reaction of tert-butylbenzene with OH radicals (Ohta and Ohyama, 1985).
    Chemical/Physical. tert-Butylbenzene will not hydrolyze because it has no hydrolyzable functional group (Kollig, 1995).
  • Purification MethodsWash it with cold conc H2SO4 until a fresh portion of acid is no longer coloured, then with 10% aqueous NaOH (care-effervescence), followed by distilled water until neutral. Dry it (CaSO4), and distil it in a glass helices-packed column, taking the middle fraction. [Beilstein 5 IV 1045.]
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