3,6,9-Triethyl-3,6,9-trimethyl-1,2,4,5,7,8-hexoxonane

Base Information

• Chemical Name: 3,6,9-Triethyl-3,6,9-trimethyl-1,2,4,5,7,8-hexoxonane
• CAS No.: 24748-23-0
• Deprecated CAS: 489466-64-0
• Molecular Formula: C12H24O6
• Molecular Weight: 264.319
• Hs Code.: 2909600000
• European Community (EC) Number: 429-320-2,607-429-8
• UNII: J3MV6AZN38
• DSSTox Substance ID: DTXSID3051913
• Nikkaji Number: J1.840.299H
• Wikidata: Q27281161
• Mol file: 24748-23-0.mol

Synonyms:3,6,9-triethyl-3,6,9-trimethyl-1,2,4,5,7,8-hexoxonane;24748-23-0;Trigonox 301;UNII-J3MV6AZN38;1,2,4,5,7,8-Hexoxonane, 3,6,9-triethyl-3,6,9-trimethyl-;J3MV6AZN38;3,6,9-triethyl-3,6,9-trimethyl-1,2,4,5,7,8-hexaoxonane;LS-181646;SCHEMBL891987;Methylethylketonperoxid, Trimer;methylethylketone peroxide trimer;DTXSID3051913;KVWLLOIEGKLBPA-UHFFFAOYSA-N;EC 429-320-2;Q27281161;3,6,9-Triethyl-3,6,9-trimethyl-1,4,7-triperoxynonane;3,6,9-triethyl-3,6,9-trimethyl-1,2,4,5,7,8-hexaoxacyclononane;1,2,4,5,7,8-hexaoxacyclononane, 3,6,9-trimethyl, 3,6,9-triethyl

Chemical Property of 3,6,9-Triethyl-3,6,9-trimethyl-1,2,4,5,7,8-hexoxonane

Chemical Property:

• Vapor Pressure: 0.0422mmHg at 25°C
• Melting Point: -20oC
• Boiling Point: 246.6oC at 760 mmHg
• Flash Point: 58oC
• PSA: 55.38000
• Density: 0.875
• LogP: 3.22320
• Storage Temp.: Refrigerator (+4°C)
• Water Solubility.: 13.1mg/L at 20℃
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 264.15728848
• Heavy Atom Count: 18
• Complexity: 213

Purity/Quality:

99.9% ^*data from raw suppliers

TRIGONOX 301 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi,O
• Hazard Codes: Xi-O
• Statements: 7-65-43-38
• Safety Statements: 36/37/39-3/7-26-14A

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1(OOC(OOC(OO1)(C)CC)(C)CC)C

Technology Process of 3,6,9-Triethyl-3,6,9-trimethyl-1,2,4,5,7,8-hexoxonane

There total 5 articles about 3,6,9-Triethyl-3,6,9-trimethyl-1,2,4,5,7,8-hexoxonane 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: 18.9%

2-Pentanone (107-87-9) + butanone (78-93-3) → 3,6,9-triethyl-3,6,9-trimethyl-[1,2,4,5,7,8]hexoxonane (24748-23-0) + 3-ethyl-3,6,9-trimethyl-6,9-di-(n-propyl)-1,2,4,5,7,8-hexaoxonane + 3,6-diethyl-3,6,9-trimethyl-9-(n-propyl)-1,2,4,5,7,8-hexaoxonane

Guidance literature:

With sulfuric acid; dihydrogen peroxide; at -1 - 1 ℃; for 2.25h;

Reference yield:

butanone (78-93-3) → 3,6,9-triethyl-3,6,9-trimethyl-[1,2,4,5,7,8]hexoxonane (24748-23-0) + methyl ethyl ketone peroxide (2780-59-8)

Guidance literature:

butanone; nitric acid; In 2-methylundecane; water; acetic acid; at 15 - 18 ℃;

With dihydrogen peroxide; In 2-methylundecane; water; acetic acid; at 14 - 18 ℃; for 1h;

Reference yield:

butanone (78-93-3) → 3,6,9-triethyl-3,6,9-trimethyl-[1,2,4,5,7,8]hexoxonane (24748-23-0)

Guidance literature:

With sulfuric acid; dihydrogen peroxide;

DOI:10.1021/ja01530a068

upstream raw materials:

butanone

sulfuric acid

dihydrogen peroxide

2-Pentanone

Refernces

• 1、 -. "CYCLIC KETONE PEROXIDE COMPOSITION". Page/Page column 8; 9. . Retrieved 2015/10/05.