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CAS 122115-50-8

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Ethyl 4-(1-methylethyl)-ζ-oxobenzeneheptanoate

Description:
Ethyl 4-(1-methylethyl)-ζ-oxobenzeneheptanoate, identified by its CAS number 122115-50-8, is an organic compound that belongs to the class of esters. This substance features a complex structure characterized by a benzene ring substituted with an ethyl group and a ketone functional group, contributing to its reactivity and potential applications in organic synthesis. The presence of the heptanoate chain indicates that it has a relatively long aliphatic carbon chain, which can influence its solubility and physical properties. Typically, esters like this compound exhibit pleasant odors and are often used in flavoring and fragrance applications. Additionally, the branched alkyl group (1-methylethyl) may enhance its hydrophobic characteristics, affecting its interactions in various chemical environments. While specific physical properties such as boiling point, melting point, and solubility are not provided here, they can be inferred to vary based on the molecular structure and functional groups present. Overall, this compound's unique structure suggests potential utility in various chemical and industrial applications.
Formula:C18H26O3
InChI:InChI=1S/C18H26O3/c1-4-21-18(20)9-7-5-6-8-17(19)16-12-10-15(11-13-16)14(2)3/h10-14H,4-9H2,1-3H3
InChI key:InChIKey=RPPBHGSEMGHZAI-UHFFFAOYSA-N
SMILES:C(CCCCCC(OCC)=O)(=O)C1=CC=C(C(C)C)C=C1
Synonyms:
  • Benzeneheptanoic acid, 4-(1-methylethyl)-ζ-oxo-, ethyl ester
  • Ethyl 4-(1-methylethyl)-ζ-oxobenzeneheptanoate
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