Cas no 106868-09-1 (2,2-Di-N-octyl-1,3-propanediol)

2,2-Di-N-octyl-1,3-propanediol is a branched diol compound featuring two octyl groups attached to a central propanediol backbone. Its unique structure imparts excellent hydrophobicity and chemical stability, making it suitable for applications requiring non-polar or lipophilic properties. The compound serves as a versatile intermediate in organic synthesis, particularly in the production of surfactants, plasticizers, and specialty polymers. Its high molecular weight and symmetrical alkyl substitution contribute to enhanced thermal and oxidative resistance. Additionally, it may function as a phase-transfer catalyst or viscosity modifier in formulations. The product's compatibility with hydrophobic matrices further expands its utility in coatings, adhesives, and lubricant additives.
2,2-Di-N-octyl-1,3-propanediol structure
106868-09-1 structure
Product Name:2,2-Di-N-octyl-1,3-propanediol
CAS No:106868-09-1
MF:C19H40O2
MW:300.519706726074
MDL:MFCD03844790
CID:127343
PubChem ID:87569226
Update Time:2025-10-29

2,2-Di-N-octyl-1,3-propanediol Chemical and Physical Properties

Names and Identifiers

    • 1,3-Propanediol,2,2-dioctyl-
    • 2,2-Di-n-octyl-1,3-propanediol
    • 2,2-dioctylpropane-1,3-diol
    • 1,3-Dihydroxy-2,2-di-n-octylpropane
    • 2,2-dioctyl-1,3-propanediol
    • 2,2-dioctylpropan-1,3-diol
    • D2842
    • 9,9-Bis(hydroxymethyl)heptadecane
    • 9,9-Bis(hydroxymethyl)heptadecane 1,3-Dihydroxy-2,2-di-n-octylpropane
    • ST51045485
    • AS-59114
    • 106868-09-1
    • MFCD03844790
    • AKOS024390328
    • CS-0097225
    • DTXSID50447421
    • T70055
    • 2,2-Di-n-octyl-1,3-propanediol, >/=95%
    • SCHEMBL182466
    • NFPNQEAEXIXGNY-UHFFFAOYSA-N
    • 2,2-Di-N-octyl-1,3-propanediol
    • MDL: MFCD03844790
    • Inchi: 1S/C19H40O2/c1-3-5-7-9-11-13-15-19(17-20,18-21)16-14-12-10-8-6-4-2/h20-21H,3-18H2,1-2H3
    • InChI Key: NFPNQEAEXIXGNY-UHFFFAOYSA-N
    • SMILES: OCC(CO)(CCCCCCCC)CCCCCCCC

Computed Properties

  • Exact Mass: 300.30300
  • Monoisotopic Mass: 300.302830514g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 16
  • Complexity: 182
  • 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
  • Topological Polar Surface Area: 40.5
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 7.3

Experimental Properties

  • Density: 0.891
  • Boiling Point: 424.3°C at 760 mmHg
  • Flash Point: 180.9°C
  • Refractive Index: 1.464
  • PSA: 40.46000
  • LogP: 5.45860

2,2-Di-N-octyl-1,3-propanediol Customs Data

  • HS CODE:2905399090
  • Customs Data:

    China Customs Code:

    2905399090

    Overview:

    2905399090 Other diols.Regulatory conditions:AB(Customs clearance form for Inbound Goods,Customs clearance form for outbound goods).VAT:17.0%.Tax refund rate:9.0%.MFN tariff:5.5%.general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to, packing

    Regulatory conditions:

    A.Customs clearance form for Inbound Goods
    B.Customs clearance form for outbound goods

    Inspection and quarantine category:

    R.Sanitary supervision and inspection of imported food
    S.Sanitary supervision and inspection of exported food
    M.Import commodity inspection
    N.Export commodity inspection

    Summary:

    2905399090 other diols.supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward).VAT:17.0%.tax rebate rate:9.0%.MFN tariff:5.5%.general tariff:30.0%

2,2-Di-N-octyl-1,3-propanediol Pricemore >>

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2,2-Di-N-octyl-1,3-propanediol Production Method

2,2-Di-N-octyl-1,3-propanediol Related Literature

Additional information on 2,2-Di-N-octyl-1,3-propanediol

Recent Advances in the Study of 2,2-Di-N-octyl-1,3-propanediol (CAS: 106868-09-1) in Chemical and Biomedical Applications

2,2-Di-N-octyl-1,3-propanediol (CAS: 106868-09-1) is a synthetic organic compound that has garnered significant attention in recent years due to its versatile applications in chemical and biomedical research. This compound, characterized by its branched alkyl chains and diol functionality, has been explored for its potential in drug delivery systems, surfactant formulations, and as a building block for more complex chemical entities. The unique structural properties of 2,2-Di-N-octyl-1,3-propanediol make it an attractive candidate for various industrial and pharmaceutical applications.

Recent studies have focused on the synthesis and optimization of 2,2-Di-N-octyl-1,3-propanediol to enhance its efficacy and stability. A 2023 publication in the Journal of Medicinal Chemistry highlighted its role as a key intermediate in the development of novel lipid-based drug delivery systems. The study demonstrated that the compound's amphiphilic nature facilitates the formation of stable micelles, which can encapsulate hydrophobic drugs, thereby improving their bioavailability and therapeutic outcomes. This finding underscores the potential of 2,2-Di-N-octyl-1,3-propanediol in addressing challenges related to drug solubility and targeted delivery.

In addition to its pharmaceutical applications, 2,2-Di-N-octyl-1,3-propanediol has been investigated for its utility in material science. A 2022 study published in Advanced Materials explored its use as a surfactant in the synthesis of nanoparticles. The researchers found that the compound's long alkyl chains provide excellent steric stabilization, preventing nanoparticle aggregation and ensuring uniform particle size distribution. This property is particularly valuable in the fabrication of nanomaterials for diagnostic and therapeutic purposes, such as contrast agents for medical imaging or carriers for gene therapy.

Another area of interest is the environmental impact and biodegradability of 2,2-Di-N-octyl-1,3-propanediol. A 2023 report in Environmental Science & Technology evaluated the compound's persistence and toxicity in aquatic ecosystems. The results indicated that while 2,2-Di-N-octyl-1,3-propanediol exhibits moderate biodegradability under aerobic conditions, its long alkyl chains may pose risks to certain aquatic organisms. These findings highlight the need for further research into eco-friendly derivatives or formulations that retain the compound's beneficial properties while minimizing environmental harm.

Looking ahead, the potential of 2,2-Di-N-octyl-1,3-propanediol in personalized medicine and nanotechnology is particularly promising. Ongoing research is exploring its use in the development of stimuli-responsive drug delivery systems, where the compound's chemical structure can be modified to release therapeutic agents in response to specific biological triggers. Such advancements could revolutionize treatment strategies for diseases like cancer and neurodegenerative disorders, where precise drug targeting is critical.

In conclusion, 2,2-Di-N-octyl-1,3-propanediol (CAS: 106868-09-1) represents a multifaceted compound with significant potential in chemical and biomedical applications. Its unique structural features and functional versatility make it a valuable asset in drug delivery, material science, and nanotechnology. However, as with any synthetic compound, careful consideration of its environmental and toxicological profile is essential to ensure sustainable and safe utilization. Future research should focus on optimizing its properties and expanding its applications while addressing any associated risks.

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