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CAS 951889-58-0

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Ethyl 2,3,4,5,6-pentamethyl-δ-oxobenzenepentanoate

Description:
Ethyl 2,3,4,5,6-pentamethyl-δ-oxobenzenepentanoate, with the CAS number 951889-58-0, is a chemical compound characterized by its complex structure, which includes a benzene ring substituted with multiple methyl groups and an ester functional group. The presence of five methyl groups contributes to its hydrophobic nature and can influence its physical properties, such as boiling and melting points, as well as its solubility in various solvents. The δ-oxobenzene moiety indicates the presence of a ketone functional group adjacent to the benzene ring, which can affect the compound's reactivity and potential applications in organic synthesis. As an ester, it may exhibit typical ester characteristics, such as fruity odors and potential use as flavoring agents or fragrances. The compound's unique structure may also lend itself to specific biological activities or interactions, making it of interest in fields such as medicinal chemistry or materials science. However, detailed studies would be necessary to fully understand its properties and potential applications.
Formula:C18H26O3
InChI:InChI=1S/C18H26O3/c1-7-21-17(20)10-8-9-16(19)18-14(5)12(3)11(2)13(4)15(18)6/h7-10H2,1-6H3
InChI key:InChIKey=UHNOAZZSVRXCPN-UHFFFAOYSA-N
SMILES:C(CCCC(OCC)=O)(=O)C1=C(C)C(C)=C(C)C(C)=C1C
Synonyms:
  • Ethyl 2,3,4,5,6-pentamethyl-δ-oxobenzenepentanoate
  • Benzenepentanoic acid, 2,3,4,5,6-pentamethyl-δ-oxo-, ethyl ester
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