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CAS 185986-76-9

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4-Pentynoic acid, 1,1-dimethylethyl ester

Description:
4-Pentynoic acid, 1,1-dimethylethyl ester, also known by its CAS number 185986-76-9, is an organic compound characterized by its ester functional group derived from 4-pentynoic acid and 1,1-dimethylethanol. This compound features a carbon chain with a triple bond, indicating it is an alkyne, which contributes to its reactivity and potential applications in organic synthesis. The presence of the ester group suggests that it may exhibit properties typical of esters, such as volatility and a pleasant odor, depending on the specific structure. It is likely to be a colorless to pale yellow liquid at room temperature, with a relatively low boiling point compared to more complex organic compounds. The compound may be used in various chemical reactions, including nucleophilic additions and as a building block in the synthesis of more complex molecules. Safety data should be consulted for handling and storage, as with all chemical substances, to ensure proper precautions are taken due to potential hazards associated with its reactivity and toxicity.
Formula:C9H14O2
InChI:InChI=1S/C9H14O2/c1-5-6-7-8(10)11-9(2,3)4/h1H,6-7H2,2-4H3
InChI key:InChIKey=GRWJMJVACAWLAO-UHFFFAOYSA-N
SMILES:O(C(CCC#C)=O)C(C)(C)C
Synonyms:
  • 1,1-Dimethylethyl pent-4-ynoate
  • 4-Pentynoic acid tert-butyl ester
  • 4-Pentynoic acid, 1,1-dimethylethyl ester
  • tert-Butyl 4-pentynoate
  • 4-tert-Butoxycarbonyl-1-butyne
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