2,4,6-Trinonyl-1,3,5-trioxane

Base Information

• Chemical Name: 2,4,6-Trinonyl-1,3,5-trioxane
• CAS No.: 6624-05-1
• Molecular Formula: C₃₀H₆₀O₃
• Molecular Weight: 468.805
• NSC Number: 55219
• UNII: HJI1J53ZOX
• DSSTox Substance ID: DTXSID10216438
• Nikkaji Number: J1.810.097E
• Mol file: 6624-05-1.mol

Synonyms:2,4,6-Trinonyl-1,3,5-trioxane;HJI1J53ZOX;6624-05-1;NSC55219;UNII-HJI1J53ZOX;NSC 55219;NSC-55219;2,4,6-tri(nonyl)-1,3,5-trioxane;DTXSID10216438;2,4,6-TRINONYL-S-TRIOXANE;1,3,5-Trioxane, 2,4,6-trinonyl-;S-TRIOXANE, 2,4,6-TRINONYL-

Chemical Property of 2,4,6-Trinonyl-1,3,5-trioxane

Chemical Property:

• Vapor Pressure: 1.43E-10mmHg at 25°C
• Refractive Index: 1.446
• Boiling Point: 524.5 °C at 760 mmHg
• Flash Point: 180.6 °C
• Density: 0.869 g/cm³
• XLogP3: 13.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 24
• Exact Mass: 468.45424577
• Heavy Atom Count: 33
• Complexity: 318

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCC1OC(OC(O1)CCCCCCCCC)CCCCCCCCC

Technology Process of 2,4,6-Trinonyl-1,3,5-trioxane

There total 2 articles about 2,4,6-Trinonyl-1,3,5-trioxane which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 90.0%

caprinaldehyde (112-31-2) → 2,4,6-trinonyl-1,3,5-trioxane (6624-05-1)

Guidance literature:

With Hexamethyldisiloxane; 1-diphenylphosphino-8-triphenylstibonium-naphthalene triflate; at -10 ℃; for 12h; Reagent/catalyst; Catalytic behavior;

DOI:10.1039/c6dt02121b

Reference yield:

→ 2,4,6-trinonyl-1,3,5-trioxane (6624-05-1)

Guidance literature:

Aus entspr. Aldehyd ;

upstream raw materials:

caprinaldehyde

Refernces

• 1、 Arias Ugarte, Renzo,Devarajan, Deepa,Mushinski, Ryan M.,Hudnall, Todd W.. "Antimony(v) cations for the selective catalytic transformation of aldehydes into symmetric ethers, α,β-unsaturated aldehydes, and 1,3,5-trioxanes". supporting information. p. 11150 - 11161. Retrieved 2016/07/20.
• 2、 Augé, Jacques,Gil, Richard. "A convenient solvent-free preparation of 1,3,5-trioxanes". . p. 7919 - 7920. Retrieved 2007/10/03.