Cas no 23433-05-8 (1,3-Octanediol)

1,3-Octanediol is a diol compound with the molecular formula C?H??O?, featuring hydroxyl groups at the 1 and 3 positions of an eight-carbon chain. This colorless, viscous liquid exhibits moderate solubility in water and good compatibility with organic solvents, making it a versatile intermediate in organic synthesis. Its bifunctional structure allows for applications in polymer production, where it serves as a monomer for polyesters and polyurethanes. Additionally, 1,3-octanediol demonstrates antimicrobial properties, contributing to its use in cosmetic and personal care formulations as a preservative booster. Its stability under varying pH conditions and low volatility enhance its utility in industrial and specialty chemical applications.
1,3-Octanediol structure
1,3-Octanediol structure
Product Name:1,3-Octanediol
CAS No:23433-05-8
MF:C8H18O2
MW:146.227323055267
MDL:MFCD01711163
CID:258056
PubChem ID:90927
Update Time:2025-10-22

1,3-Octanediol Chemical and Physical Properties

Names and Identifiers

    • 1,3-Octanediol
    • octane-1,3-diol
    • Propane-1,3-diol, 1-pentyl-
    • BRN 2069738
    • 1,3-Octanediol, analytical standard
    • SB84258
    • MFCD01711163
    • AKOS006277652
    • octane-1, 3-diol
    • DTXSID00865095
    • CHEBI:179848
    • LMFA05000564
    • Z1198158015
    • NS00120941
    • 23433-05-8
    • (R)-1,3-Octanediol
    • DCTMXCOHGKSXIZ-UHFFFAOYSA-N
    • EN300-118308
    • AS-76662
    • 120727-18-6
    • SCHEMBL304078
    • YAA43305
    • MDL: MFCD01711163
    • Inchi: 1S/C8H18O2/c1-2-3-4-5-8(10)6-7-9/h8-10H,2-7H2,1H3
    • InChI Key: DCTMXCOHGKSXIZ-UHFFFAOYSA-N
    • SMILES: OC(CCO)CCCCC

Computed Properties

  • Exact Mass: 146.13074
  • Monoisotopic Mass: 146.131
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 6
  • Complexity: 64.3
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 1.6
  • Topological Polar Surface Area: 40.5A^2

Experimental Properties

  • Density: 0.937±0.06 g/cm3 (20 oC 760 Torr),
  • Melting Point: 68-69 oC
  • Boiling Point: 165-170 oC (25 Torr)
  • Flash Point: 117.2±13.0 oC,
  • Refractive Index: n20/D 1.445-1.455
  • Solubility: Slightly soluble (4.4 g/l) (25 o C),
  • PSA: 40.46

1,3-Octanediol Security Information

  • Storage Condition:2-8°C

1,3-Octanediol Pricemore >>

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Additional information on 1,3-Octanediol

Professional Introduction to 1,3-Octanediol (CAS No: 23433-05-8)

1,3-Octanediol, with the chemical formula C?H??O? and CAS number 23433-05-8, is a significant diol compound that has garnered considerable attention in the field of chemical and pharmaceutical research. This linear aliphatic diol, characterized by its two hydroxyl (-OH) groups positioned at the 1st and 3rd carbon atoms of an octane chain, exhibits a range of unique properties that make it valuable in various industrial and scientific applications. The compound's molecular structure imparts both flexibility and reactivity, enabling its use as a key intermediate in polymer synthesis, solvent formulation, and as a precursor in the development of advanced materials.

The versatility of 1,3-octanediol stems from its ability to participate in a multitude of chemical reactions, including esterification, etherification, and polymerization processes. These reactions are fundamental to the production of high-performance polymers such as polyesters and polyurethanes, which are widely employed in the manufacturing of coatings, adhesives, and elastomers. The compound's bifunctional nature allows for the creation of branched or cross-linked structures, enhancing the mechanical and thermal properties of final products. This characteristic has made 1,3-octanediol a preferred choice in industries seeking materials with tailored performance attributes.

In recent years, research into 1,3-octanediol has expanded beyond traditional polymer chemistry into more specialized applications. One notable area is its role as a bio-based solvent and additive in green chemistry initiatives. The increasing demand for sustainable alternatives has driven investigations into the potential of 1,3-octanediol as a renewable feedstock derived from natural oils or bio-based routes. Studies have demonstrated its efficacy in replacing conventional solvents in industrial processes while maintaining or improving process efficiency. This aligns with global efforts to reduce environmental impact by minimizing the use of petrochemical-derived compounds.

Moreover, the pharmaceutical industry has shown interest in 1,3-octanediol due to its potential biological activities. Research indicates that diols like 1,3-octanediol can serve as intermediates in the synthesis of pharmacologically active molecules. The hydroxyl groups provide reactive sites for further functionalization, enabling the development of novel drug candidates with specific therapeutic targets. While 1,3-octanediol itself may not exhibit direct medicinal properties, its structural motif is reminiscent of several known bioactive compounds. This has prompted exploratory studies into its derivatives as potential candidates for further medicinal chemistry investigations.

The material science sector has also embraced 1,3-octanediol for its contributions to advanced material formulations. Its compatibility with various polymers and resins makes it an excellent modifier for enhancing material properties such as flexibility, impact resistance, and thermal stability. In particular, blends incorporating 1,3-octanediol have been investigated for their potential use in automotive components where lightweight yet durable materials are essential for fuel efficiency improvements. Additionally, its application in electronic coatings has been explored due to its ability to improve substrate adhesion and corrosion resistance.

Recent advancements in catalytic processes have further highlighted the importance of 1,3-octanediol as a building block. Catalytic hydrogenation and oxidation reactions involving this diol have enabled the efficient synthesis of complex molecules with high selectivity. Such developments are crucial for streamlining synthetic routes in both industrial-scale production and laboratory-scale research. The ability to manipulate 1,3-octanediol's reactivity through careful catalyst selection has opened new avenues for creating functionalized derivatives with tailored properties for specific applications.

The safety profile of 1,3-octanediol is another critical aspect that underscores its industrial relevance. Unlike some other diols that may pose health risks or environmental concerns upon prolonged exposure or improper handling,1-3 octanediol is generally considered to have moderate toxicity with appropriate precautions during handling and disposal recommended by regulatory bodies such as OSHA (Occupational Safety and Health Administration) and REACH (Registration Evaluation Authorization and Restriction of Chemicals). This favorable safety profile enhances its attractiveness for widespread use across multiple sectors without compromising workplace safety standards.

In conclusion,1-3 octanediol (CAS No: 23433-05-8) represents a multifaceted compound with broad utility spanning from polymer chemistry to pharmaceutical research.Being able to adapt itself into different chemical environments makes it indispensable resource within modern industry.Scientific community continues explore new ways incorporate this versatile diol into innovative technologies which improve our daily lives while protecting planet through sustainable practices.As research progresses expect even more exciting applications emerge future years making sure place important role scientific landscape.

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