tert-Butylbenzene Property

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

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)

Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Warning

Hazard statements

H226Flammable liquid and vapour

H315Causes skin irritation

Precautionary statements

P210Keep away from heat/sparks/open flames/hot surfaces. — No smoking.

P233Keep container tightly closed.

P240Ground/bond container and receiving equipment.

P241Use explosion-proof electrical/ventilating/lighting/…/equipment.

P242Use only non-sparking tools.

P303+P361+P353IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.

tert-Butylbenzene Chemical Properties,Usage,Production

Chemical Properties

colourless liquid with an aromatic odour

Uses

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

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.]