Cas no 67589-54-2 (p-propoxyphenyl trans-4-pentylcyclohexanecarboxylate)

Technical Introduction: p-Propoxyphenyl trans-4-pentylcyclohexanecarboxylate is a liquid crystal compound characterized by its stable cyclohexane core and propoxyphenyl ester linkage. Its trans-configuration ensures high thermal stability and low viscosity, making it suitable for advanced liquid crystal displays (LCDs) and electro-optical applications. The compound exhibits a broad nematic phase range, enabling optimal performance in mixed liquid crystal formulations. Its pentyl chain enhances solubility and compatibility with other mesogens, while the propoxy group contributes to a favorable dielectric anisotropy. These properties make it a valuable component in high-resolution displays, where low threshold voltage and fast response times are critical.
p-propoxyphenyl trans-4-pentylcyclohexanecarboxylate structure
67589-54-2 structure
Product Name:p-propoxyphenyl trans-4-pentylcyclohexanecarboxylate
CAS No:67589-54-2
MF:C21H32O3
MW:332.476986885071
CID:966349
PubChem ID:105461
Update Time:2025-11-02

p-propoxyphenyl trans-4-pentylcyclohexanecarboxylate Chemical and Physical Properties

Names and Identifiers

    • p-propoxyphenyl trans-4-pentylcyclohexanecarboxylate
    • 4-n-Propoxyphenyl trans-4-n-pentylcyclohexanecarboxylate
    • (4-propoxyphenyl) 4-pentylcyclohexane-1-carboxylate
    • 4-propoxyphenyl 4-pentylcyclohexanecarboxylate
    • EINECS 266-747-1
    • trans-4-Pentylcyclohexanecarboxylic acid,4-propoxyphenyl ester
    • RO-CM-1953
    • trans-4-Pentylcyclohexanecarboxylic acid, 4-propoxyphenyl ester
    • 4-Propoxyphenyl-4'-trans-pentyl cyclohexyl carboxylate
    • 67679-64-5
    • DTXSID70886838
    • NS00055847
    • DTXSID401246716
    • SCHEMBL8449202
    • AKOS015951082
    • SCHEMBL7511981
    • A835820
    • 67589-54-2
    • Cyclohexanecarboxylic acid, 4-pentyl-, 4-propoxyphenyl ester, trans-
    • ZAUPPIHFDVKVJM-UHFFFAOYSA-N
    • ZAUPPIHFDVKVJM-IYARVYRRSA-N
    • MDL: MFCD09751071
    • Inchi: 1S/C21H32O3/c1-3-5-6-7-17-8-10-18(11-9-17)21(22)24-20-14-12-19(13-15-20)23-16-4-2/h12-15,17-18H,3-11,16H2,1-2H3
    • InChI Key: ZAUPPIHFDVKVJM-UHFFFAOYSA-N
    • SMILES: O(C1C=CC(=CC=1)OCCC)C(C1CCC(CCCCC)CC1)=O

Computed Properties

  • Exact Mass: 332.23500
  • Monoisotopic Mass: 332.23514488g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 24
  • Rotatable Bond Count: 10
  • Complexity: 339
  • 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: 7
  • Topological Polar Surface Area: 35.5?2

Experimental Properties

  • Density: 0.996
  • PSA: 35.53000
  • LogP: 5.76750

p-propoxyphenyl trans-4-pentylcyclohexanecarboxylate Security Information

  • TSCA:Yes

p-propoxyphenyl trans-4-pentylcyclohexanecarboxylate Pricemore >>

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p-propoxyphenyl trans-4-pentylcyclohexanecarboxylate Related Literature

Additional information on p-propoxyphenyl trans-4-pentylcyclohexanecarboxylate

Comprehensive Guide to p-Propoxyphenyl trans-4-Pentylcyclohexanecarboxylate (CAS 67589-54-2): Properties, Applications, and Market Insights

p-Propoxyphenyl trans-4-pentylcyclohexanecarboxylate (CAS 67589-54-2) is a specialized organic compound gaining attention in advanced material science and specialty chemical applications. This ester derivative combines a propoxyphenyl group with a trans-4-pentylcyclohexanecarboxylate moiety, creating unique physicochemical properties that make it valuable for various industrial and research applications.

The molecular structure of p-propoxyphenyl trans-4-pentylcyclohexanecarboxylate features a cyclohexane ring in the trans configuration, which contributes to its stability and specific interaction properties. With a molecular weight of 318.45 g/mol, this compound exhibits interesting characteristics including moderate hydrophobicity, thermal stability up to 200°C, and good solubility in common organic solvents like ethanol, acetone, and dichloromethane.

Recent scientific literature highlights the growing interest in cyclohexanecarboxylate derivatives like CAS 67589-54-2 for their potential in liquid crystal formulations. Researchers are particularly interested in how the propoxy phenyl substitution pattern affects mesomorphic properties, making this compound relevant for next-generation display technologies. The trans-4-pentyl configuration has been shown to influence phase transition temperatures and optical anisotropy.

In material science applications, p-propoxyphenyl trans-4-pentylcyclohexanecarboxylate serves as a building block for advanced polymers and specialty coatings. Its molecular architecture allows for precise tuning of material properties, addressing current market demands for high-performance materials in electronics and optical devices. The compound's stability profile makes it particularly suitable for applications requiring durability under various environmental conditions.

The synthesis of CAS 67589-54-2 typically involves esterification reactions between trans-4-pentylcyclohexanecarboxylic acid and p-propoxyphenol, often catalyzed by conventional acid catalysts. Recent process optimization efforts have focused on improving yield and purity while reducing environmental impact, reflecting the chemical industry's growing emphasis on green chemistry principles.

Analytical characterization of p-propoxyphenyl trans-4-pentylcyclohexanecarboxylate employs standard techniques including HPLC, GC-MS, and NMR spectroscopy. The compound typically shows high purity (>98%) in commercial grades, with specific impurities carefully monitored to ensure consistency for research and industrial applications. These quality control measures are particularly important for applications in sensitive technologies like photonic devices.

Market analysis indicates steady growth in demand for specialized cyclohexanecarboxylate esters, with CAS 67589-54-2 finding increasing adoption in Asia-Pacific research institutions and specialty chemical manufacturers. The compound's unique properties position it well in emerging technology sectors, particularly where precise molecular engineering is required for advanced material performance.

Safety considerations for handling p-propoxyphenyl trans-4-pentylcyclohexanecarboxylate follow standard laboratory protocols for organic compounds. While not classified as hazardous under current regulations, proper personal protective equipment including gloves and safety glasses is recommended during handling. Storage should be in cool, dry conditions away from strong oxidizers to maintain product stability.

Current research trends involving CAS 67589-54-2 explore its potential in smart materials and responsive systems. Scientists are investigating how modifications to the propoxy phenyl group or pentyl chain length might enhance specific material properties, opening new possibilities in nanotechnology and advanced optics applications. These investigations align with broader scientific interest in customizable molecular architectures.

The commercial availability of p-propoxyphenyl trans-4-pentylcyclohexanecarboxylate has expanded in recent years, with several specialty chemical suppliers offering custom synthesis and bulk quantities. Pricing varies based on purity requirements and order volume, with research-grade material typically available in gram to kilogram quantities. Procurement specialists should verify certificates of analysis and consider lead times when sourcing this specialized compound.

Environmental fate studies of cyclohexanecarboxylate derivatives suggest moderate biodegradability under appropriate conditions. While specific data for CAS 67589-54-2 remains limited, related compounds demonstrate breakdown pathways that inform proper disposal procedures. These environmental considerations are increasingly important for industrial users seeking sustainable chemical solutions.

Future applications for p-propoxyphenyl trans-4-pentylcyclohexanecarboxylate may include advanced polymer composites, where its molecular structure could enhance interfacial properties in multi-component systems. The compound's potential in organic electronics is another active area of investigation, particularly for dielectric and semiconducting material formulations.

For researchers considering CAS 67589-54-2 for their projects, thorough literature review of similar trans-4-substituted cyclohexanecarboxylates is recommended to understand structure-property relationships. Comparative studies can provide valuable insights for tailoring this compound to specific applications, whether in materials science, chemical synthesis, or physical chemistry research.

Quality assurance protocols for p-propoxyphenyl trans-4-pentylcyclohexanecarboxylate typically include multiple analytical verification steps to ensure batch-to-batch consistency. Reputable suppliers provide detailed technical data sheets and material safety information, which should be carefully reviewed prior to use in sensitive applications or advanced research projects.

The intellectual property landscape surrounding cyclohexanecarboxylate derivatives includes numerous patents for specific applications and formulations. While CAS 67589-54-2 itself is not patent-restricted, certain uses or modified forms may be protected, requiring careful consideration for commercial applications. This situation reflects the compound's potential value in proprietary technologies.

Academic interest in p-propoxyphenyl trans-4-pentylcyclohexanecarboxylate continues to grow, with recent publications exploring its crystallographic properties and molecular interactions. These fundamental studies contribute to a deeper understanding of how structural features influence macroscopic material behavior, supporting rational design of new functional materials.

In summary, p-propoxyphenyl trans-4-pentylcyclohexanecarboxylate (CAS 67589-54-2) represents an interesting case study in how targeted molecular design can yield compounds with valuable technical properties. Its combination of a propoxyphenyl group with a trans-4-pentylcyclohexane core creates unique characteristics that researchers and engineers are only beginning to fully exploit across multiple advanced technology sectors.

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