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CAS 87-40-1

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2,4,6-Trichloroanisole

Description:
2,4,6-Trichloroanisole (TCA) is an organic compound characterized by its chlorinated aromatic structure. It is a derivative of anisole, with three chlorine atoms substituted at the 2, 4, and 6 positions of the aromatic ring. TCA is typically a colorless to pale yellow solid with a musty, moldy odor, which is often associated with cork taint in wines, leading to undesirable sensory characteristics. The compound is poorly soluble in water but soluble in organic solvents, reflecting its hydrophobic nature. TCA is known for its stability and persistence in the environment, making it a concern in various industries, particularly in winemaking and food production. Its formation is often linked to the chlorination of phenolic compounds in the presence of certain fungi. Due to its strong odor, even in trace amounts, TCA can significantly affect the quality of products, prompting ongoing research into its detection and mitigation. Safety data indicates that while TCA is not classified as highly toxic, it should be handled with care to avoid exposure.
Formula:C7H5Cl3O
InChI:InChI=1S/C7H5Cl3O/c1-11-7-5(9)2-4(8)3-6(7)10/h2-3H,1H3
InChI key:InChIKey=WCVOGSZTONGSQY-UHFFFAOYSA-N
SMILES:O(C)C1=C(Cl)C=C(Cl)C=C1Cl
Synonyms:
  • Tyrene
  • Anisole, 2,4,6-trichloro-
  • 1,3,5-Trichloro-2-methoxybenzene
  • 2,4,6-Trichloroanisole
  • Benzene, 1,3,5-trichloro-2-methoxy-
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