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CAS 70920-59-1

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Benzenesulfonic acid, 2,4,6-trimethyl-, methyl ester

Description:
Benzenesulfonic acid, 2,4,6-trimethyl-, methyl ester, commonly referred to as a sulfonate ester, is an organic compound characterized by its sulfonic acid group attached to a benzene ring that is further substituted with three methyl groups at the 2, 4, and 6 positions. This structure contributes to its hydrophobic properties while the sulfonic acid group imparts hydrophilicity, making it a surfactant. The methyl ester functional group enhances its solubility in organic solvents and may influence its reactivity in various chemical processes. Typically, this compound is used in applications such as surfactants, emulsifiers, and intermediates in organic synthesis. It may exhibit moderate toxicity and should be handled with care, following appropriate safety guidelines. The compound's physical properties, such as boiling point, melting point, and solubility, can vary based on environmental conditions and specific formulations. Overall, its unique structure and functional groups make it valuable in both industrial and research settings.
Formula:C10H14O3S
InChI:InChI=1S/C10H14O3S/c1-7-5-8(2)10(9(3)6-7)14(11,12)13-4/h5-6H,1-4H3
InChI key:InChIKey=VCXKHPUXNZJDDG-UHFFFAOYSA-N
SMILES:S(OC)(=O)(=O)C1=C(C)C=C(C)C=C1C
Synonyms:
  • 2,4,6-Trimethylbenzenesulfonic acid methyl ester
  • 2-Mesitylenesulfonic acid, methyl ester
  • Benzenesulfonic acid, 2,4,6-trimethyl-, methyl ester
  • Methyl 2,4,6-trimethylbenzenesulfonate
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