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CAS 1754-55-8

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Benzoic acid, 2,4,6-trimethyl-, ethyl ester

Description:
Benzoic acid, 2,4,6-trimethyl-, ethyl ester, commonly referred to as ethyl 2,4,6-trimethylbenzoate, is an organic compound characterized by its ester functional group derived from benzoic acid and ethanol. It features a benzene ring substituted with three methyl groups at the 2, 4, and 6 positions, which contributes to its unique chemical properties and aromatic characteristics. This compound is typically a colorless to pale yellow liquid with a pleasant, fruity odor, making it useful in the fragrance and flavoring industries. It is moderately soluble in organic solvents and has limited solubility in water due to its hydrophobic nature. The presence of the ester group allows for reactivity in various chemical reactions, including hydrolysis and transesterification. Additionally, it may exhibit antimicrobial properties, which can be advantageous in certain applications. As with many organic compounds, safety precautions should be taken when handling it, as it may cause irritation to the skin and eyes.
Formula:C12H16O2
InChI:InChI=1S/C12H16O2/c1-5-14-12(13)11-9(3)6-8(2)7-10(11)4/h6-7H,5H2,1-4H3
InChI key:InChIKey=ZXTXIZPSMQCYBN-UHFFFAOYSA-N
SMILES:C(OCC)(=O)C1=C(C)C=C(C)C=C1C
Synonyms:
  • Benzoic acid, 2,4,6-trimethyl-, ethyl ester
  • Ethyl mesitoate
  • Ethyl mesitoate~2,4,6-Trimethylbenzoic acid ethyl ester
  • NSC 229348
  • Ethyl 2,4,6-trimethylbenzoate
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