tert-Butylbenzene

tert-Butylbenzene is an organic compound classified as an aromatic hydrocarbon. Its structure consists of a benzene ring substituted with a tert-butyl group. It is a flammable colorless liquid which is nearly insoluble in water but miscible with organic solvents.

tert-Butylbenzene
Names
Preferred IUPAC name
tert-Butylbenzene
Other names
  • t-butylbenzene
  • 1,1-dimethylethylbenzene
Identifiers
3D model (JSmol)
ChEMBL
ChemSpider
ECHA InfoCard 100.002.394
EC Number
  • 202-632-4
UNII
UN number 2709
  • InChI=1S/C10H14/c1-10(2,3)9-7-5-4-6-8-9/h4-8H,1-3H3
    Key: YTZKOQUCBOVLHL-UHFFFAOYSA-N
  • CC(C)(C)C1=CC=CC=C1
Properties
C10H14
Molar mass 134.22
Appearance colorless liquid
Density 0.867 g/cm3
Melting point −57.9 °C (−72.2 °F; 215.2 K)
Boiling point 169 °C (336 °F; 442 K)
insoluble
Solubility in organic solvents miscible
Hazards
Occupational safety and health (OHS/OSH):
Main hazards
 Flammable
GHS labelling:
GHS02: FlammableGHS07: Exclamation mark
Warning
H226, H315, H319
P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P312, P321, P332+P313, P362, P370+P378, P403+P235, P501
Flash point 34.4 °C (93.9 °F; 307.5 K)
450 °C (842 °F; 723 K)
Related compounds
Related compounds
 iso-Butylbenzene, sec-Butylbenzene, n-Butylbenzene
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
Infobox references

Production

tert-Butylbenzene can be produced by the treatment of benzene with isobutene[1] or by the reaction of benzene with tert-butyl chloride in presence of anhydrous aluminium chloride,[2] the latter is depicted below:

References
  1. Griesbaum, Karl; Behr, Arno; Biedenkapp, Dieter; Voges, Heinz-Werner; Garbe, Dorothea; Paetz, Christian; Collin, Gerd; Mayer, Dieter; Höke (2002). "Hydrocarbons". Ullmann's Encyclopedia of Industrial Chemistry. Weinheim: Wiley-VCH. doi:10.1002/14356007.a13_227.
  2. Fieser, Louis F. (1941), Experiments in Organic Chemistry, Second Edition, pp. 180–181, doi:10.1021/ed018p550.1
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