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CAS 95973-51-6

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Benzoic acid, 4-(4-pentylcyclohexyl)-, 4-ethoxyphenyl ester, trans-

Description:
Benzoic acid, 4-(4-pentylcyclohexyl)-, 4-ethoxyphenyl ester, trans- (CAS 95973-51-6) is an organic compound characterized by its ester functional group, which is formed from the reaction of benzoic acid and an alcohol. This compound features a complex structure that includes a benzoate moiety, a cyclohexyl group with a pentyl substituent, and an ethoxyphenyl group. Its trans configuration indicates specific spatial arrangements of its substituents, which can influence its physical and chemical properties, such as solubility and melting point. Typically, esters like this compound exhibit moderate polarity, making them soluble in organic solvents while being less soluble in water. The presence of the cyclohexyl and pentyl groups may contribute to its hydrophobic characteristics, potentially affecting its behavior in biological systems and its applications in materials science. Additionally, compounds of this nature are often studied for their potential uses in pharmaceuticals, agrochemicals, and as intermediates in organic synthesis.
Formula:C26H34O3
InChI:InChI=1/C26H34O3/c1-3-5-6-7-20-8-10-21(11-9-20)22-12-14-23(15-13-22)26(27)29-25-18-16-24(17-19-25)28-4-2/h12-21H,3-11H2,1-2H3/t20-,21-
InChI key:InChIKey=BOJBRLBJBXWHNZ-MEMLXQNLNA-N
SMILES:C(OC1=CC=C(OCC)C=C1)(=O)C2=CC=C(C=C2)[C@H]3CC[C@H](CCCCC)CC3
Synonyms:
  • Benzoic acid, 4-(4-pentylcyclohexyl)-, 4-ethoxyphenyl ester, trans-
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