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HomeProduct name listtert-Butylbenzene

tert-Butylbenzene

Synonym(s):2-Methyl-2-phenylpropane

  • CAS NO.:98-06-6
  • Empirical Formula: C10H14
  • Molecular Weight: 134.22
  • MDL number: MFCD00008816
  • EINECS: 202-632-4
  • SAFETY DATA SHEET (SDS)
  • Update Date: 2023-11-28 16:31:43
tert-Butylbenzene Structural

What is tert-Butylbenzene?

Chemical properties

colourless liquid with an aromatic odour

The Uses of tert-Butylbenzene

tert-Butylbenzene is an useful intermediate for manufacturing agrochemicals and pharmaceuticals. tert-Butyl Toluene is used as a solvent for resins.

The Uses of tert-Butylbenzene

Organic 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

Hazard

Toxic by ingestion.

Safety Profile

Mildly 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 Fate

Photolytic. 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 Methods

Wash 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.]

Properties of tert-Butylbenzene

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 limit 0.8-5.6%(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)
Dielectric constant 2.4(20℃)
Stability: Stable. Flammable. Incompatible with oxidizing agents, combustible material.
CAS DataBase Reference 98-06-6(CAS DataBase Reference)
NIST Chemistry Reference Benzene, tert-butyl-(98-06-6)
EPA Substance Registry System tert-Butylbenzene (98-06-6)

Safety information for tert-Butylbenzene

Signal word Warning
Pictogram(s)
ghs
Flame
Flammables
GHS02
ghs
Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H226:Flammable liquids
H315:Skin corrosion/irritation
Precautionary Statement Codes P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking.
P233:Keep container tightly closed.
P240:Ground/bond container and receiving equipment.
P241:Use explosion-proof electrical/ventilating/lighting/…/equipment.
P242:Use only non-sparking tools.
P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.

Computed Descriptors for tert-Butylbenzene

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