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CAS 2006277-57-0

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Benzoic acid, 3-(2,2,2-trifluoro-1-hydroxyethyl)-, ethyl ester

Description:
Benzoic acid, 3-(2,2,2-trifluoro-1-hydroxyethyl)-, ethyl ester, identified by CAS number 2006277-57-0, is an organic compound characterized by its ester functional group derived from benzoic acid. This compound features a trifluoroethyl group, which imparts unique properties such as increased lipophilicity and potential biological activity. The presence of the trifluoromethyl group enhances its stability and may influence its reactivity and solubility in various solvents. Typically, esters like this one exhibit pleasant, fruity odors and are often used in flavoring and fragrance applications. Additionally, the hydroxyethyl moiety can contribute to hydrogen bonding capabilities, affecting the compound's physical properties, such as boiling and melting points. In terms of safety, compounds with trifluoromethyl groups may require careful handling due to potential toxicity and environmental concerns. Overall, this compound's unique structure suggests potential applications in pharmaceuticals, agrochemicals, or as intermediates in organic synthesis, although specific applications would depend on further research and evaluation.
Formula:C11H11F3O3
InChI:InChI=1S/C11H11F3O3/c1-2-17-10(16)8-5-3-4-7(6-8)9(15)11(12,13)14/h3-6,9,15H,2H2,1H3
InChI key:InChIKey=DXGHMRVHEOQVKS-UHFFFAOYSA-N
SMILES:C(C(F)(F)F)(O)C1=CC(C(OCC)=O)=CC=C1
Synonyms:
  • Ethyl 3-(2,2,2-trifluoro-1-hydroxyethyl)benzoate
  • Benzoic acid, 3-(2,2,2-trifluoro-1-hydroxyethyl)-, ethyl ester
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