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
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 | n |
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) |
Flame Flammables GHS02 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
Abamectin manufacturer
JSK Chemicals
Pallav Chemicals And Solvents Pvt Ltd
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