Cas no 67589-53-1 (Cyclohexanecarboxylic acid, 4-pentyl-, 4-ethoxyphenyl ester, trans-)

Cyclohexanecarboxylic acid, 4-pentyl-, 4-ethoxyphenyl ester, trans- is a specialized organic ester with a well-defined stereochemical configuration. Its trans-cyclohexane backbone, substituted with a pentyl group and an ethoxyphenyl ester moiety, imparts unique physicochemical properties, including stability and controlled reactivity. This compound is particularly valued in synthetic chemistry for its role as an intermediate in the preparation of liquid crystals, pharmaceuticals, and advanced materials. Its structural rigidity and functional group compatibility make it suitable for applications requiring precise molecular alignment or tailored solubility. The ethoxyphenyl ester group further enhances its utility in fine chemical synthesis, offering selective reactivity under mild conditions.
Cyclohexanecarboxylic acid, 4-pentyl-, 4-ethoxyphenyl ester, trans- structure
67589-53-1 structure
Product Name:Cyclohexanecarboxylic acid, 4-pentyl-, 4-ethoxyphenyl ester, trans-
CAS No:67589-53-1
MF:C20H30O3
MW:318.450406551361
MDL:MFCD22125200
CID:394570
PubChem ID:13710125
Update Time:2025-05-21

Cyclohexanecarboxylic acid, 4-pentyl-, 4-ethoxyphenyl ester, trans- Chemical and Physical Properties

Names and Identifiers

    • Cyclohexanecarboxylic acid, 4-pentyl-, 4-ethoxyphenyl ester, trans-
    • 4-n-Pentyloxyphenyl trans-4-ethylcyclohexanecarboxylate
    • p-Ethoxyphenyl trans-4-pentylcyclohexanecarboxylate
    • trans-4-pentyl-(4-ethoxyphenyl)cyclohexanecarboxylate
    • 4-n-Pentyloxyphenyl trans-4-ethylcyclohexanecarboxylate, 99%
    • TRANS-4-ETHOXY-PHENYL 4-PENTYLCYCLOHEXANECARBOXYLATE
    • 4β-Pentyl-1α-cyclohexanecarboxylic acid p-ethoxyphenyl ester
    • 4-Ethoxyphenyl trans-4-pentylcyclohexylcarboxylate
    • trans-4-(Pentyloxy)phenyl 4-ethylcyclohexanecarboxylate
    • AS-70028
    • CS-W009422
    • MFCD11053418
    • SY317261
    • AKOS027320540
    • (4-pentoxyphenyl) 4-ethylcyclohexane-1-carboxylate
    • 4-(PENTYLOXY)PHENYL (1S,4R)-4-ETHYLCYCLOHEXANE-1-CARBOXYLATE
    • 4-(Pentyloxy)phenyl trans-4-Ethylcyclohexanecarboxylate
    • 67589-53-1
    • Trans-4-(pentyloxy)phenyl4-ethylcyclohexanecarboxylate
    • MDL： MFCD22125200
    • Inchi： 1S/C20H30O3/c1-3-5-6-7-16-8-10-17(11-9-16)20(21)23-19-14-12-18(13-15-19)22-4-2/h12-17H,3-11H2,1-2H3/t16-,17-
    • InChI Key： MQMODHKFYZEGRC-QAQDUYKDSA-N
    • SMILES： [C@@H]1(C(OC2=CC=C(OCC)C=C2)=O)CC[C@@H](CCCCC)CC1

Computed Properties

  • Exact Mass: 318.2196
  • Monoisotopic Mass: 318.21949481g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 23
  • Rotatable Bond Count: 9
  • Complexity: 326
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 6.3
  • Topological Polar Surface Area: 35.5?2

Experimental Properties

  • Density: 1.003
  • PSA: 35.53

Cyclohexanecarboxylic acid, 4-pentyl-, 4-ethoxyphenyl ester, trans- Security Information

  • Storage Condition：Sealed in dry,Room Temperature

Cyclohexanecarboxylic acid, 4-pentyl-, 4-ethoxyphenyl ester, trans- Pricemore >>

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Cyclohexanecarboxylic acid, 4-pentyl-, 4-ethoxyphenyl ester, trans- Related Literature

Additional information on Cyclohexanecarboxylic acid, 4-pentyl-, 4-ethoxyphenyl ester, trans-

Cyclohexanecarboxylic Acid, 4-Pentyl-, 4-Ethoxyphenyl Ester, Trans-

Cyclohexanecarboxylic acid, also known as trans-4-pentyl-4-ethoxyphenyl ester, is a compound with the CAS number 67589-53-1. This compound is a derivative of cyclohexanecarboxylic acid, which is a six-membered cyclic carboxylic acid with a wide range of applications in organic synthesis and material science. The trans configuration of the ester group in this compound adds unique properties that make it valuable in various industrial and research settings.

The structure of this compound consists of a cyclohexane ring with a carboxylic acid group attached at one position and an ester group at another. The ester group is derived from 4-pentylphenol and ethoxyphenol, which introduces both hydrophobic and hydrophilic characteristics into the molecule. This balance of properties makes the compound suitable for applications in surfactants, polymers, and pharmaceuticals.

Recent studies have shown that Cyclohexanecarboxylic acid, 4-pentyl-, 4-ethoxyphenyl ester exhibits interesting behavior in terms of its solubility and stability under different environmental conditions. Researchers have explored its potential as a building block for advanced materials, such as self-healing polymers and stimuli-responsive coatings. The trans configuration of the ester group has been found to influence the molecular packing and mechanical properties of materials synthesized using this compound.

In addition to its role in material science, this compound has also been investigated for its biological activity. Preliminary studies suggest that it may possess antimicrobial properties, making it a potential candidate for use in healthcare products. However, further research is needed to fully understand its efficacy and safety profile.

The synthesis of Cyclohexanecarboxylic acid, 4-pentyl-, 4-ethoxyphenyl ester typically involves multi-step organic reactions, including esterification and ring-opening reactions. The choice of reagents and reaction conditions plays a critical role in achieving the desired stereochemistry and purity of the final product.

In conclusion, Cyclohexanecarboxylic acid, 4-pentyl-, 4-ethoxyphenyl ester is a versatile compound with promising applications across multiple fields. Its unique structure and properties make it an interesting subject for both academic research and industrial development.

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