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4-tert-Butyltoluene

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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.)
  • refractive index n20/D 1.492(lit.)
  • Flash point:150 °F
  • storage temp. Flammables area
  • solubility 0.06 g/100 mL (20°C)
  • form Liquid
  • color Clear colorless to faint yellow
  • explosive limit0.7-7%(V)
  • Water Solubility 0.06 g/100 mL (20 ºC)
  • BRN 2038670
  • Stability:Stable. Combustible. Incompatible with strong oxidizing agents.
  • InChIKeyQCWXDVFBZVHKLV-UHFFFAOYSA-N
  • CAS DataBase Reference98-51-1(CAS DataBase Reference)
  • NIST Chemistry Reference4-Tert-butyltoluene(98-51-1)
  • EPA Substance Registry Systemp-tert-Butyltoluene (98-51-1)
Safety Information
MSDS
4-tert-Butyltoluene Usage And Synthesis
  • Chemical Propertiescolourless liquid
  • UsesSolvent, intermediate.
  • UsesSolvent for resins; intermediate in organic synthesis
  • Synthesis Reference(s)Synthetic Communications, 21, p. 1273, 1991 DOI: 10.1080/00397919108021046
  • General DescriptionClear colorless liquid with an aromatic gasoline-like odor.
  • Air & Water ReactionsFlammable. Insoluble in water.
  • Reactivity Profile4-tert-Butyltoluene may react with oxidizing materials.
  • HazardToxic by inhalation, ingestion, and skin absorption. Eye and upper respiratory tract irritant.
  • Health Hazardp-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 Hazard4-tert-Butyltoluene is combustible.
  • Safety ProfileModerately 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.
  • Carcinogenicityp-tert-Butyl toluene was not mutagenic in a number of bacterial strains in the Ames assay with or without metabolic activation.
  • Purification MethodsA 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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