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CAS 64277-87-8

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methyl 3,5-di-tert-butylbenzoate

Description:
Methyl 3,5-di-tert-butylbenzoate is an organic compound characterized by its ester functional group, derived from benzoic acid and methanol. It features a benzene ring substituted with two tert-butyl groups at the 3 and 5 positions, which significantly influence its physical and chemical properties. The presence of these bulky tert-butyl groups enhances the compound's hydrophobicity and steric hindrance, making it less soluble in polar solvents. This compound typically exhibits a low melting point and a relatively high boiling point due to the presence of the aromatic ring and the bulky substituents. Methyl 3,5-di-tert-butylbenzoate is often used in organic synthesis and may serve as an intermediate in the production of various chemical products. Additionally, its unique structure may impart specific reactivity patterns, making it of interest in research and industrial applications. Safety data should be consulted for handling and storage, as with all chemical substances.
Formula:C16H24O2
InChI:InChI=1/C16H24O2/c1-15(2,3)12-8-11(14(17)18-7)9-13(10-12)16(4,5)6/h8-10H,1-7H3
SMILES:CC(C)(C)c1cc(cc(c1)C(C)(C)C)C(=O)OC
Synonyms:
  • Benzoic Acid, 3,5-Bis(1,1-Dimethylethyl)-, Methyl Ester
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