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| | tert-Butylbenzene Basic information |
| | 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 atmm3/mol):
1.17 at 25 °C (Hine and Mookerjee, 1975) | | Dielectric constant | 2.4（20℃） | | Stability: | Stable. Flammable. Incompatible with oxidizing agents, combustible material. | | InChI | 1S/C10H14/c1-10(2,3)9-7-5-4-6-8-9/h4-8H,1-3H3 | | InChIKey | YTZKOQUCBOVLHL-UHFFFAOYSA-N | | SMILES | CC(C)(C)c1ccccc1 | | 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) |
| 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 | TSCA listed | | HazardClass | 3 | | PackingGroup | III | | HS Code | 29029080 | | Storage Class | 3 - Flammable liquids | | Hazard Classifications | Flam. Liq. 3
Skin Irrit. 2 | | Hazardous Substances Data | 98-06-6(Hazardous Substances Data) |
| | 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/moleculesec 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.] | | Toxics Screening Level | The initial threshold screening level (ITSL) for t-Butyl benzene is 10 μg/m3 based on an annual averaging time. |
| | tert-Butylbenzene Preparation Products And Raw materials |
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