Cas no 117888-04-7 (1,3,5-Trioxane,2,4-diethyl-6-methyl-)

1,3,5-Trioxane, 2,4-diethyl-6-methyl- is a cyclic trimer of formaldehyde with ethyl and methyl substituents, offering enhanced stability and controlled reactivity compared to simpler trioxane derivatives. Its structured molecular framework provides predictable decomposition characteristics, making it suitable for applications requiring gradual formaldehyde release, such as in specialty resins, crosslinking agents, or controlled-release formulations. The ethyl and methyl groups improve solubility in organic solvents, facilitating incorporation into polymer matrices or synthetic processes. This compound is particularly valued for its consistent performance in high-precision industrial applications where uniform reactivity and thermal stability are critical. Proper handling and storage are recommended to maintain its integrity.
1,3,5-Trioxane,2,4-diethyl-6-methyl- structure
117888-04-7 structure
Product Name:1,3,5-Trioxane,2,4-diethyl-6-methyl-
CAS No:117888-04-7
MF:C8H16O3
MW:160.210843086243
CID:131661
PubChem ID:547840
Update Time:2025-06-10

1,3,5-Trioxane,2,4-diethyl-6-methyl- Chemical and Physical Properties

Names and Identifiers

    • 1,3,5-Trioxane,2,4-diethyl-6-methyl-
    • 2,4-Diethyl-6-methyl-1,3,5-trioxane
    • 1,3,5-Trioxane,2,4-diethyl-6-methyl
    • SWBSXEDRNYINCU-UHFFFAOYSA
    • 6-METHYL-2,4-DIETHYL-1,3,5-TRIOXANE
    • SWBSXEDRNYINCU-UHFFFAOYSA-
    • InChI=1/C8H16O3/c1-4-7-9-6(3)10-8(5-2)11-7/h6-8H,4-5H2,1-3H3
    • SWBSXEDRNYINCU-UHFFFAOYSA-N
    • 117888-04-7
    • NS00096152
    • FT-0691420
    • DTXSID30338242
    • MDL: MFCD00059793
    • Inchi: 1S/C8H16O3/c1-4-7-9-6(3)10-8(5-2)11-7/h6-8H,4-5H2,1-3H3
    • InChI Key: SWBSXEDRNYINCU-UHFFFAOYSA-N
    • SMILES: O1C(CC)OC(C)OC1CC

Computed Properties

  • Exact Mass: 160.11000
  • Monoisotopic Mass: 160.109944368g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 2
  • Complexity: 104
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 2.2
  • Topological Polar Surface Area: 27.7?2

Experimental Properties

  • Color/Form: Not determined
  • Density: 0,96 g/cm3
  • Boiling Point: 155 °C
  • Flash Point: 56.4°C
  • Refractive Index: 1.396
  • PSA: 27.69000
  • LogP: 1.86800
  • Solubility: Not determined

1,3,5-Trioxane,2,4-diethyl-6-methyl- Customs Data

  • HS CODE:2934999090
  • Customs Data:

    China Customs Code:

    2934999090

    Overview:

    2934999090. Other heterocyclic compounds. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

1,3,5-Trioxane,2,4-diethyl-6-methyl- Pricemore >>

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1,3,5-Trioxane,2,4-diethyl-6-methyl- Related Literature

Additional information on 1,3,5-Trioxane,2,4-diethyl-6-methyl-

Recent Advances in the Study of 1,3,5-Trioxane,2,4-diethyl-6-methyl- (CAS: 117888-04-7) and Its Applications in Chemical Biology and Medicine

The compound 1,3,5-Trioxane,2,4-diethyl-6-methyl- (CAS: 117888-04-7) has recently garnered significant attention in the field of chemical biology and medicinal chemistry due to its unique structural properties and potential therapeutic applications. This research brief aims to provide an overview of the latest findings related to this compound, focusing on its synthesis, biological activity, and potential uses in drug development.

Recent studies have highlighted the synthetic versatility of 1,3,5-Trioxane derivatives, with 2,4-diethyl-6-methyl- substitution patterns showing enhanced stability and bioavailability. Researchers have employed advanced spectroscopic techniques, including NMR and mass spectrometry, to confirm the structural integrity of this compound. Additionally, computational modeling has been utilized to predict its interactions with biological targets, revealing promising binding affinities for enzymes involved in inflammatory pathways.

In vitro and in vivo studies have demonstrated the compound's efficacy as an anti-inflammatory and antimicrobial agent. Notably, its mechanism of action appears to involve the modulation of reactive oxygen species (ROS) production, making it a potential candidate for treating oxidative stress-related diseases. Further investigations are underway to explore its pharmacokinetics and toxicity profiles, which are critical for advancing it into clinical trials.

The potential applications of 1,3,5-Trioxane,2,4-diethyl-6-methyl- extend beyond therapeutics. Recent reports suggest its utility as a stabilizing agent in pharmaceutical formulations, owing to its ability to enhance the shelf-life of sensitive drug compounds. This dual functionality underscores its value in both drug development and formulation science.

In conclusion, the ongoing research on 1,3,5-Trioxane,2,4-diethyl-6-methyl- (CAS: 117888-04-7) highlights its multifaceted role in chemical biology and medicine. Future studies should focus on optimizing its synthetic routes, elucidating its molecular mechanisms, and evaluating its clinical potential. This compound represents a promising avenue for the development of novel therapeutic agents and pharmaceutical excipients.

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