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CAS 87321-20-8

:

S-(+)-2-Octyl 4-(4-hexyloxybenzoyloxy)benzoate

Description:
S-(+)-2-Octyl 4-(4-hexyloxybenzoyloxy)benzoate, with the CAS number 87321-20-8, is an organic compound that belongs to the class of benzoates. It is characterized by its ester functional group, which is formed from the reaction of a benzoic acid derivative and an alcohol. This compound features a long hydrophobic octyl chain, contributing to its lipophilicity, which can influence its solubility in organic solvents and its behavior in biological systems. The presence of the hexyloxy group enhances its potential applications in various fields, including pharmaceuticals and materials science, due to its ability to modify physical properties such as melting point and viscosity. Additionally, the stereochemistry indicated by "S-(+)" suggests that it has a specific spatial arrangement, which can affect its biological activity and interactions with other molecules. Overall, this compound's unique structure and properties make it of interest for research and industrial applications.
Formula:C28H38O5
InChI:InChI=1/C28H38O5/c1-4-6-8-10-12-22(3)32-27(29)23-15-19-26(20-16-23)33-28(30)24-13-17-25(18-14-24)31-21-11-9-7-5-2/h13-20,22H,4-12,21H2,1-3H3/t22-/m0/s1
SMILES:CCCCCC[C@H](C)OC(=O)c1ccc(cc1)OC(=O)c1ccc(cc1)OCCCCCC
Synonyms:
  • (S)-4-[[(1-Methylheptyl)oxy]carbonyl]phenyl 4-(4-hexyloxy)benzoate
  • 4-({[(1S)-1-methylheptyl]oxy}carbonyl)phenyl 4-(hexyloxy)benzoate
  • (S)-octan-2-yl 4-(4-(hexyloxy)benzoyloxy)benzoate
  • S-(+)-2-Octyl 4-(4-hexyloxybenzoyloxy)benzoate
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