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CAS 4664-57-7

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1,1-Dimethylethyl 4-methylbenzenesulfonate

Description:
1,1-Dimethylethyl 4-methylbenzenesulfonate, also known by its CAS number 4664-57-7, is an organic compound characterized by the presence of a sulfonate group attached to a substituted aromatic ring. This compound features a tert-butyl group (1,1-dimethylethyl) and a methyl group on the benzene ring, contributing to its unique chemical properties. It is typically a colorless to pale yellow liquid with a distinctive odor. The sulfonate group enhances its solubility in polar solvents, making it useful in various chemical reactions and applications, including as a reagent in organic synthesis. The compound is stable under standard conditions but may undergo hydrolysis in the presence of strong bases or acids. Safety data indicates that it should be handled with care, as it may cause irritation to the skin and eyes. Overall, 1,1-Dimethylethyl 4-methylbenzenesulfonate is a versatile compound with applications in both industrial and laboratory settings.
Formula:C11H16O3S
InChI:InChI=1S/C11H16O3S/c1-9-5-7-10(8-6-9)15(12,13)14-11(2,3)4/h5-8H,1-4H3
InChI key:InChIKey=DLRDEMODNIPHMU-UHFFFAOYSA-N
SMILES:S(OC(C)(C)C)(=O)(=O)C1=CC=C(C)C=C1
Synonyms:
  • 1,1-Dimethylethyl 4-methylbenzenesulfonate
  • tert-Butyl tosylate
  • p-Toluenesulfonic acid, tert-butyl ester
  • tert-Butyl p-toluenesulfonate
  • Benzenesulfonic acid, 4-methyl-, 1,1-dimethylethyl ester
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