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CAS 113802-17-8

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1,1-Dimethylethyl 2-acetyl-5-(acetyloxy)-3-oxohexanoate

Description:
1,1-Dimethylethyl 2-acetyl-5-(acetyloxy)-3-oxohexanoate, with the CAS number 113802-17-8, is an organic compound characterized by its complex structure, which includes multiple functional groups such as ketones and esters. This compound typically appears as a colorless to pale yellow liquid or solid, depending on its purity and specific conditions. It is soluble in organic solvents, reflecting its hydrophobic nature, while exhibiting limited solubility in water. The presence of acetyl and acetyloxy groups suggests potential reactivity in various chemical reactions, including esterification and acylation. This compound may be of interest in synthetic organic chemistry and could serve as an intermediate in the synthesis of more complex molecules. Its specific applications may vary, but it could be relevant in fields such as pharmaceuticals, agrochemicals, or flavor and fragrance chemistry. As with many organic compounds, safety precautions should be taken when handling it, as it may pose health risks if ingested or inhaled.
Formula:C14H22O6
InChI:InChI=1S/C14H22O6/c1-8(19-10(3)16)7-11(17)12(9(2)15)13(18)20-14(4,5)6/h8,12H,7H2,1-6H3
InChI key:InChIKey=KCOVDXUTWLOFCS-UHFFFAOYSA-N
SMILES:C(C(OC(C)(C)C)=O)(C(CC(OC(C)=O)C)=O)C(C)=O
Synonyms:
  • 1,1-Dimethylethyl 2-acetyl-5-(acetyloxy)-3-oxohexanoate
  • Hexanoic acid, 2-acetyl-5-(acetyloxy)-3-oxo-, 1,1-dimethylethyl ester
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