| Identification | More | [Name]
tert-Butylbenzene | [CAS]
98-06-6 | [Synonyms]
(1,1-DIMETHYLETHYL)BENZENE
2-METHYL-2-PHENYLPROPANE
AKOS BBS-00004358
dimethylethylbenzene
PSEUDOBUTYLBENZENE
T-BUTYLBENZENE
TERT-BUTYLBENZENE
TERTIARY BUTYL BENZENE, 2-METHYL-2-PHENYLPROPANE
TRIMETHYL PHENYL METHANE
(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
tert-butyl-benzen
tertiarybutylbenzene
-Trimethyltoluene | [EINECS(EC#)]
202-632-4 | [Molecular Formula]
C10H14 | [MDL Number]
MFCD00008816 | [Molecular Weight]
134.22 | [MOL File]
98-06-6.mol |
| Chemical Properties | Back Directory | [Appearance]
colourless liquid with an aromatic odour | [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 | [Stability:]
Stable. Flammable. Incompatible with oxidizing agents, combustible material. | [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℃） | [Uses]
Organic synthesis, polymerization solvent,
polymer linking agent.
| [CAS DataBase Reference]
98-06-6(CAS DataBase Reference) | [NIST Chemistry Reference]
Benzene, tert-butyl-(98-06-6) | [EPA Substance Registry System]
98-06-6(EPA Substance) |
| Safety Data | Back Directory | [Hazard Codes ]
Xn,F,Xi | [Risk Statements ]
R10:Flammable.
R20:Harmful by inhalation.
R38:Irritating to the skin. | [Safety Statements ]
S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) .
S24/25:Avoid contact with skin and eyes . | [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 | [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 | [Hazardous Substances Data]
98-06-6(Hazardous Substances Data) |
| Hazard Information | Back Directory | [Hazard]
Toxic by ingestion. | [Chemical Properties]
colourless liquid with an aromatic odour | [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 | [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.] |
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