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| 4-tert-Butyltoluene Basic information |
| 4-tert-Butyltoluene Chemical Properties |
| Melting point | -54 °C | | Boiling point | 191 °C (lit.) | | density | 0.858 g/mL at 25 °C (lit.) | | vapor pressure | 1.3hPa at 30℃ | | refractive index | n20/D 1.492(lit.) | | Fp | 150 °F | | storage temp. | Flammables area | | solubility | 0.06 g/100 mL (20°C) | | form | Liquid | | color | Clear colorless to faint yellow | | explosive limit | 0.7-7%(V) | | Water Solubility | 0.06 g/100 mL (20 ºC) | | BRN | 2038670 | | Exposure limits | ACGIH: TWA 1 ppmOSHA: TWA 10 ppm(60 mg/m3)NIOSH: IDLH 100 ppm; TWA 10 ppm(60 mg/m3); STEL 20 ppm(120 mg/m3) | | Stability: | Stable. Combustible. Incompatible with strong oxidizing agents. | | InChIKey | QCWXDVFBZVHKLV-UHFFFAOYSA-N | | LogP | 4.4 | | CAS DataBase Reference | 98-51-1(CAS DataBase Reference) | | NIST Chemistry Reference | 4-Tert-butyltoluene(98-51-1) | | EPA Substance Registry System | p-tert-Butyltoluene (98-51-1) |
| 4-tert-Butyltoluene Usage And Synthesis |
| Chemical Properties | colourless liquid | | Uses | 4-tert-Butyltoluene is used as pharmaceutical intermediate, Solvent for resins, intermediate in organic synthesis. It is an intermediate for the production of the acaricide pyridaben. | | Preparation | Synthesis of 4-tert-butyltoluene: Put toluene in the reaction kettle, add catalyst, then add tert-butane chloride, after the reaction, wash with water and layer, and the organic layer is distilled to obtain the product. Alkylation of isobutylene and toluene in the presence of sulfuric acid can also be used to produce 4-tert-butyltoluene. | | Synthesis Reference(s) | Synthetic Communications, 21, p. 1273, 1991 DOI: 10.1080/00397919108021046 | | General Description | Clear colorless liquid with an aromatic gasoline-like odor. | | Air & Water Reactions | Flammable. Insoluble in water. | | Reactivity Profile | 4-tert-Butyltoluene may react with oxidizing materials. | | Hazard | Toxic by inhalation, ingestion, and skin
absorption. Eye and upper respiratory tract irritant.
| | Health Hazard | p-tert-Butyl toluene is an irritant
of the mucous membranes, a central nervous
system depressant and may cause cardiovascular
and hematologic disturbances; chronic
exposure in animals causes lung, brain, liver,
and kidney damage. | | Fire Hazard | 4-tert-Butyltoluene is combustible. | | Safety Profile | Moderately toxic by
inhalation and ingestion. A skin and human
eye irritant. Human systemic effects by
inhalation: nausea or vomiting, conjunctiva
irritation, unspecified effects on the sense of
taste. Inhalation of vapors causes irritation
of lungs and depression of central nervous
system. Prolonged exposure may result in
damage to liver and kidneys. Flammable
when exposed to heat or flame.
Incompatible with oxidizing materials.
When heated to decomposition it emits
acrid smoke and fumes. | | Carcinogenicity | p-tert-Butyl toluene was not mutagenic in
a number of bacterial strains in the Ames assay
with or without metabolic activation. | | Purification Methods | A sample containing 5% of the meta-isomer is purified by selective mercuration. Fractional distillation of the solid arylmercuric acetate, after removal from the residual hydrocarbon, gives pure p-tert-butyltoluene [Stock & Brown J Am Chem Soc 81 5615 1959]. [Beilstein 5 H 439, 5 III 1003, 5 IV 1079.] |
| 4-tert-Butyltoluene Preparation Products And Raw materials |
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