Cas no 4654-26-6 (dioctyl terephthalate)

Dioctyl terephthalate (DOTP) is a non-phthalate plasticizer widely used in polymer applications due to its excellent performance and environmental safety. It offers high thermal stability, low volatility, and superior electrical insulation properties, making it suitable for PVC, rubber, and other flexible materials. DOTP demonstrates good compatibility with resins, enhancing product durability and flexibility. Its low migration tendency ensures long-term performance in end-use applications. As a non-toxic alternative to traditional phthalates, DOTP complies with stringent regulatory standards, including REACH and RoHS. Its resistance to extraction and weathering further expands its utility in automotive, wire and cable, and consumer goods industries.
dioctyl terephthalate structure
dioctyl terephthalate structure
Product Name:dioctyl terephthalate
CAS No:4654-26-6
MF:C24H38O4
MW:390.556128025055
CID:1517431
Update Time:2025-10-29

dioctyl terephthalate Chemical and Physical Properties

Names and Identifiers

    • dioctyl terephthalate
    • DOTP
    • 1,4-benzenedicarboxylic acid, dioctyl ester
    • dioctyl benzene-1,4-dicarboxylate
    • Di-n-octyl terephthalate
    • 1,4-Benzenedicarboxylic acid dioctyl ester
    • Inchi: 1S/C24H38O4/c1-3-5-7-9-11-13-19-27-23(25)21-15-17-22(18-16-21)24(26)28-20-14-12-10-8-6-4-2/h15-18H,3-14,19-20H2,1-2H3
    • InChI Key: OEIWPNWSDYFMIL-UHFFFAOYSA-N
    • SMILES: CCCCCCCCOC(C1C=CC(C(OCCCCCCCC)=O)=CC=1)=O

Computed Properties

  • Exact Mass: 390.27714
  • Monoisotopic Mass: 390.277
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 28
  • Rotatable Bond Count: 18
  • Complexity: 361
  • 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: 9.9
  • Topological Polar Surface Area: 52.6A^2

Experimental Properties

  • Density: 0.9595 g/cm3 (25 oC)
  • Melting Point: 48-49 oC
  • Boiling Point: 435.74°C (rough estimate)
  • Flash Point: 226.2°C
  • Refractive Index: 1.4732 (589.3 nm 45 oC)
  • Solubility: Insuluble (5.1E-5 g/L) (25 oC),
  • PSA: 52.6

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Additional information on dioctyl terephthalate

Dioctyl Terephthalate (CAS No. 4654-26-6): Applications and Recent Research Developments

Dioctyl terephthalate, commonly abbreviated as DOTP, is a high-value chemical compound with the chemical formula C20H26O4. It is derived from the reaction between dioctyl phthalate and terephthalic acid, making it a significant derivative in the field of polymer science and industrial chemistry. With a CAS number 4654-26-6, this compound has garnered considerable attention due to its versatile applications and recent advancements in research.

The primary use of dioctyl terephthalate lies in its role as a plasticizer, particularly in the production of polyvinyl chloride (PVC) and other polymer matrices. Its molecular structure, featuring long alkyl chains and a rigid aromatic core, imparts excellent flexibility and thermal stability to plastics, making it indispensable in the manufacturing of cables, pipes, and automotive parts. The compound's compatibility with various polymers and its ability to enhance material properties have positioned it as a cornerstone in industrial applications.

In recent years, research into dioctyl terephthalate has expanded beyond traditional plasticizing roles. Studies have explored its potential in advanced material systems, including biodegradable polymers and smart materials. For instance, researchers have investigated the incorporation of DOTP into polycaprolactone (PCL) matrices to develop biodegradable films with improved mechanical strength and moisture resistance. These findings are particularly relevant in the context of sustainable packaging solutions, where reducing reliance on petroleum-based plastics is a priority.

Another emerging area of research involves the use of dioctyl terephthalate in nanocomposites. By blending DOTP with nanoclay or carbon nanotubes, scientists have achieved significant enhancements in mechanical and thermal properties of polymer composites. These nanocomposites exhibit superior performance in applications requiring high durability and heat resistance, such as aerospace components and high-performance coatings. The ability of DOTP to act as a compatibilizer in these systems highlights its versatility beyond conventional plasticizing functions.

The environmental impact of dioctyl terephthalate has also been a focal point in recent studies. While traditional phthalates have raised concerns due to their potential endocrine-disrupting effects, research on DOTP has shown relatively lower toxicity profiles compared to other phthalates. However, ongoing studies aim to further minimize environmental persistence by exploring bio-based alternatives or developing degradation pathways for DOTP-containing materials. These efforts align with global initiatives to promote greener chemistry practices.

In the pharmaceutical sector, preliminary research has suggested that derivatives of dioctyl terephthalate may exhibit interesting biological properties. Although not approved for medicinal use as yet, studies have indicated potential applications in drug delivery systems due to DOTP's ability to form stable complexes with hydrophobic molecules. This opens up new avenues for exploring DOTP's role in enhancing drug solubility and bioavailability, though further clinical trials are necessary to validate these findings.

The industrial synthesis of dioctyl terephthalate has also seen advancements in recent years. Process optimization techniques have improved yield efficiency while reducing waste generation. Catalytic methods using zeolites or transition metal complexes have been particularly effective in enhancing reaction rates and selectivity. These innovations not only make production more cost-effective but also align with sustainability goals by minimizing resource consumption.

Future research directions for dioctyl terephthalate are likely to focus on expanding its applications into renewable energy storage systems and electronic materials. For example, researchers are exploring DOTP's potential as an electrolyte component in solid-state batteries due to its dielectric properties and thermal stability. Similarly, its incorporation into conductive polymers could lead to advancements in flexible electronics.

In conclusion, dioctyl terephthalate (CAS No. 4654-26-6) remains a pivotal compound in modern chemistry with diverse applications ranging from traditional plastics to cutting-edge nanotechnology and pharmaceuticals. The ongoing research into its properties and potential uses underscores its importance as a material science enabler. As scientific understanding evolves, it is anticipated that new innovative applications will continue to emerge, reinforcing DOTP's role as a key player in industrial and academic chemistry.

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