tert-Butylbenzene

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;Analytical Chemistry;Standard Solution of Volatile Organic Compounds for Water & Soil Analysis;Chemical Synthesis;Organic Building Blocks;Organics;Standard Solutions (VOC);K00001
Mol File:	98-06-6.mol

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.)
Fp	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)

Safety Information

MSDS Information

tert-Butylbenzene Usage And Synthesis

Chemical Properties	colourless liquid with an aromatic odour
Uses	Organic synthesis, polymerization solvent, polymer linking agent.
Uses	tert-Butylbenzene is an useful intermediate for manufacturing agrochemicals and pharmaceuticals. tert-Butyl Toluene is used as a solvent for resins.
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.]

tert-Butylbenzene Preparation Products And Raw materials

Raw materials	Hydrochloric acid-->Benzene-->Aluminum chloride-->tert-Butanol-->Aluminium chloride hexahydrate-->Isobutylene-->2-Chloro-2-methylpropane-->1-Chlorobutane-->Dodecylbenzene
Preparation Products	cyclamen aldehyde-->4-tert-Butylbenzyl chloride-->Propargite-->Musk xylene-->4-tert-Butylbenzylamine-->Lily aldehyde-->FENPROPIMORPH-->BUCLIZINE-->1-Bromo-4-tert-butylbenzene-->tert-Butylhydroquinone-->4-T-BUTYL PROPIOPHONE

Login