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CAS 67899-04-1

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Hexanoic acid, 6-iodo-, 1,1-dimethylethyl ester

Description:
Hexanoic acid, 6-iodo-, 1,1-dimethylethyl ester, with the CAS number 67899-04-1, is an organic compound characterized by its ester functional group derived from hexanoic acid and a 6-iodo substituent. This compound typically exhibits a moderate molecular weight and is likely to be a colorless to pale yellow liquid at room temperature. Its structure includes a hexanoic acid backbone, which contributes to its fatty acid characteristics, while the presence of the iodine atom may impart unique reactivity and properties, such as increased polarity and potential for halogen-related chemical transformations. The 1,1-dimethylethyl group, also known as a tert-butyl group, enhances the steric bulk around the ester, which can influence its solubility and reactivity. Hexanoic acid derivatives are often used in various applications, including as intermediates in organic synthesis, in the production of surfactants, and in flavoring and fragrance industries. Safety and handling considerations should be taken into account due to the potential hazards associated with iodine-containing compounds.
Formula:C10H19IO2
InChI:InChI=1S/C10H19IO2/c1-10(2,3)13-9(12)7-5-4-6-8-11/h4-8H2,1-3H3
InChI key:InChIKey=MNNOXJIFTSBCFQ-UHFFFAOYSA-N
SMILES:C(CCCCCI)(OC(C)(C)C)=O
Synonyms:
  • tert-Butyl 6-iodohexanoate
  • Hexanoic acid, 6-iodo-, 1,1-dimethylethyl ester
  • 1,1-Dimethylethyl 6-iodohexanoate
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