Cas no 597-09-1 (1,3-Propanediol,2-ethyl-2-nitro-)

1,3-Propanediol,2-ethyl-2-nitro- is a nitro-substituted diol compound characterized by its unique molecular structure, combining a 1,3-propanediol backbone with ethyl and nitro functional groups. This structure imparts distinct chemical properties, including potential reactivity as an intermediate in organic synthesis. The presence of both hydroxyl and nitro groups enables participation in diverse reactions, such as condensation or reduction processes. Its balanced polarity and solubility profile may facilitate applications in specialty chemical formulations. The compound's stability under controlled conditions makes it suitable for research and industrial use where nitro-alcohol derivatives are required. Further studies are recommended to explore its full synthetic utility and physicochemical behavior.
1,3-Propanediol,2-ethyl-2-nitro- structure
597-09-1 structure
Product Name:1,3-Propanediol,2-ethyl-2-nitro-
CAS No:597-09-1
MF:C5H11NO4
MW:149.145141839981
MDL:MFCD00024813
CID:371466
PubChem ID:11696
Update Time:2025-05-30

1,3-Propanediol,2-ethyl-2-nitro- Chemical and Physical Properties

Names and Identifiers

    • 1,3-Propanediol,2-ethyl-2-nitro-
    • 2-ethyl-2-nitropropane-1,3-diol
    • 1,3-Propanediol,2-ethyl-2-nitro
    • 2-Aethyl-2-nitro-propan-1,3-diol
    • 2-ETHYL-2-NITRO-1,3-PROPANEDIOL
    • 2-ethyl-2-nitro-propane-1,3-diol
    • 2-Ethyl-2-nitropropanediol
    • 2-Nitro-2-ethyl-1,3-propanediol
    • EINECS 209-893-3
    • SCHEMBL635431
    • Tox21_301742
    • NCGC00255422-01
    • CAS-597-09-1
    • AI3-02257
    • MFCD00024813
    • AKOS024319393
    • dimethylol nitropropane
    • DTXSID7041417
    • CHEMBL3185030
    • BRN 1705448
    • NSC 2024
    • NS00034223
    • 1,3-Propanediol, 2-ethyl-2-nitro-
    • 4-01-00-02550 (Beilstein Handbook Reference)
    • DTXCID5021417
    • Q27260956
    • FT-0632482
    • NEPD
    • NSC2024
    • UNII-5243OT5I3L
    • 5243OT5I3L
    • 1, 2-ethyl-2-nitro-
    • ETHYL-2-NITRO-1,3-PROPANEDIOL, 2-
    • NSC-2024
    • 597-09-1
    • MDL: MFCD00024813
    • Inchi: 1S/C5H11NO4/c1-2-5(3-7,4-8)6(9)10/h7-8H,2-4H2,1H3
    • InChI Key: YADISKICBOYXFS-UHFFFAOYSA-N
    • SMILES: OCC(CO)(CC)[N+](=O)[O-]

Computed Properties

  • Exact Mass: 149.06900
  • Monoisotopic Mass: 149.069
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 3
  • Complexity: 115
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: -0.6
  • Topological Polar Surface Area: 86.3A^2

Experimental Properties

  • Color/Form: Not available
  • Density: 1.3613 (rough estimate)
  • Melting Point: 55-56°C
  • Boiling Point: 270.2°C (rough estimate)
  • Flash Point: 148.2 °C
  • Refractive Index: 1.4120 (estimate)
  • PSA: 86.28000
  • LogP: -0.08030
  • Solubility: Not available

1,3-Propanediol,2-ethyl-2-nitro- Security Information

1,3-Propanediol,2-ethyl-2-nitro- Pricemore >>

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Additional information on 1,3-Propanediol,2-ethyl-2-nitro-

1,3-Propanediol,2-ethyl-2-nitro- (CAS No. 597-09-1): A Versatile Chemical Intermediate for Modern Applications

1,3-Propanediol,2-ethyl-2-nitro- (CAS No. 597-09-1) is a specialized organic compound with a unique molecular structure that combines a diol backbone with nitro and ethyl functional groups. This chemical has garnered significant attention in recent years due to its potential applications in industries ranging from polymer synthesis to specialty chemicals. The compound's nitro group and diol functionality make it particularly interesting for researchers exploring novel materials and green chemistry solutions.

In the context of growing interest in sustainable chemistry and bio-based materials, 1,3-Propanediol,2-ethyl-2-nitro- presents intriguing possibilities. Many researchers are investigating how this compound could serve as a building block for biodegradable polymers or as an intermediate in the production of eco-friendly plasticizers. The presence of both hydroxyl groups and a nitro moiety in its structure allows for diverse chemical transformations, making it valuable for custom synthesis applications.

The synthesis and applications of CAS 597-09-1 have become particularly relevant in light of current trends toward green chemistry and circular economy principles. Chemical engineers are exploring ways to produce this compound through more sustainable routes, potentially using bio-based feedstocks or catalytic processes that minimize waste. These developments align with broader industry movements toward reducing environmental impact while maintaining performance in end-use applications.

From a technical perspective, 2-ethyl-2-nitro-1,3-propanediol offers several advantages in synthetic chemistry. The compound's dual hydroxyl groups provide sites for esterification or etherification reactions, while the nitro group can participate in various reduction or condensation reactions. This versatility makes it valuable for creating specialty chemicals with tailored properties. Researchers particularly value its potential in developing high-performance additives and functional materials for niche applications.

In the pharmaceutical and cosmetic industries, derivatives of 1,3-Propanediol,2-ethyl-2-nitro- are being studied for their potential as excipients or delivery systems. The compound's structure suggests possible applications in controlled release formulations or as a component in specialty solvents for sensitive active ingredients. However, it's important to note that any such applications would require thorough safety evaluation and regulatory approval before commercial use.

The physical and chemical properties of 597-09-1 make it suitable for various industrial processes. Its relatively moderate molecular weight and balanced polarity contribute to good solubility in many organic solvents while maintaining sufficient stability for storage and handling. These characteristics are particularly important for manufacturers looking to incorporate this compound into complex formulations or multi-step syntheses.

Recent patent literature reveals growing interest in 1,3-Propanediol,2-ethyl-2-nitro- for advanced material applications. Several filings describe its use in creating novel polymer architectures, particularly those requiring both flexibility and specific chemical functionality. The compound's ability to serve as a branching agent or crosslinking precursor in polymer systems has attracted attention from materials scientists working on next-generation performance materials.

Quality control and analytical characterization of 2-ethyl-2-nitropropane-1,3-diol (an alternative name for this compound) present interesting challenges for chemists. Modern analytical techniques such as HPLC, GC-MS, and NMR spectroscopy are essential for verifying purity and identifying potential impurities. These analytical considerations are crucial for researchers who require high-purity grades of this chemical for sensitive applications.

As with many specialty chemicals, the commercial availability of 1,3-Propanediol,2-ethyl-2-nitro- varies by region and supplier. Companies seeking this material should pay close attention to technical specifications and certificates of analysis to ensure it meets their specific requirements. The growing demand for custom synthesis services has made this compound more accessible to researchers who may only need small quantities for experimental purposes.

Looking to the future, CAS 597-09-1 may play a role in emerging technologies such as smart materials and functional coatings. Its unique combination of functional groups could enable the development of materials with responsive properties or enhanced performance characteristics. As research continues, we may discover new applications that leverage the compound's molecular features in innovative ways, potentially contributing to advancements in material science and green technology.

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