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tert-Butylbenzene

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tert-Butylbenzene Basic information

Product Name:
tert-Butylbenzene
Synonyms:
  • (1,1-dimethylethyl)-benzen
  • (2-methyl-2-propyl)benzene
  • 2-Phenyl-2-methylpropane
  • 2-Phenyl-iso-butane
  • Benzene, (1,1-dimethylethyl)-
  • benzene,(1,1-dimethylethyl)-
  • benzene,1,1-dimethylethyl-
  • Phenyltrimethylmethane
CAS:
98-06-6
MF:
C10H14
MW:
134.22
EINECS:
202-632-4
Product Categories:
  • Arenes
  • Building Blocks
  • Chemical Synthesis
  • Organic Building Blocks
  • Analytical Chemistry
  • Standard Solution of Volatile Organic Compounds for Water & Soil Analysis
  • Standard Solutions (VOC)
  • Organics
Mol File:
98-06-6.mol
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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 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)
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)
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Safety Information

Hazard Codes 
Xn,F,Xi,N
Risk Statements 
10-20-38-51/53-36
Safety Statements 
23-24/25-61-26
RIDADR 
UN 2709 3/PG 3
WGK Germany 
1
RTECS 
CY9120000
Autoignition Temperature
842 °F
Hazard Note 
Irritant/Flammable
TSCA 
Yes
HazardClass 
3
PackingGroup 
III
HS Code 
29029080
Hazardous Substances Data
98-06-6(Hazardous Substances Data)

MSDS

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tert-Butylbenzene Usage And Synthesis

Chemical Properties

colourless liquid with an aromatic odour

Uses

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.]

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