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CAS 774-65-2

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tert-Butyl benzoate

Description:
Tert-Butyl benzoate is an organic compound classified as an ester, formed from the reaction of benzoic acid and tert-butyl alcohol. It is characterized by its colorless to pale yellow liquid appearance and has a pleasant, fruity odor. The compound is relatively non-polar, making it soluble in organic solvents while exhibiting limited solubility in water. Tert-Butyl benzoate has a moderate boiling point and a low vapor pressure, indicating it can exist as a liquid at room temperature. It is commonly used as a flavoring agent and fragrance in the food and cosmetic industries, as well as a solvent in various chemical reactions. The compound is stable under normal conditions but should be handled with care due to potential irritant properties. Additionally, it is important to note that tert-Butyl benzoate may undergo hydrolysis in the presence of strong acids or bases, leading to the formation of benzoic acid and tert-butyl alcohol. Proper safety measures should be observed when working with this substance to avoid exposure.
Formula:C11H14O2
InChI:InChI=1/C11H14O2/c1-11(2,3)13-10(12)9-7-5-4-6-8-9/h4-8H,1-3H3
InChI key:InChIKey=LYDRKKWPKKEMNZ-UHFFFAOYSA-N
SMILES:C(OC(C)(C)C)(=O)C1=CC=CC=C1
Synonyms:
  • 1,1-Dimethylethyl benzoate
  • 2-Benzoyloxy-2-methylpropane
  • Benzoic acid tert-butyl ester
  • Benzoic acid, 1,1-dimethylethyl ester
  • NSC 42534
  • Tert-Butyl Benzoate
  • Trimethylcarbinol benzoate
  • -Butyl Benzoate
  • Benzioic acid tert-butyl ester
  • Benzoic acid tert-butyl
  • tert
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