2-Butanone peroxide

Base Information

• Chemical Name: 2-Butanone peroxide
• CAS No.: 126-76-1
• Deprecated CAS: 37228-09-4,37332-21-1,37364-68-4,39386-16-8,50927-89-4,9042-65-3,99676-02-5,1175509-65-5,1403779-89-4,2199458-55-2,1175509-65-5,37332-21-1,37364-68-4,39386-16-8,50927-89-4,9042-65-3,99676-02-5
• Molecular Formula: C8H18 O6
• Molecular Weight: 210.227
• European Community (EC) Number: 215-661-2,700-954-4
• ICSC Number: 1028
• UN Number: 3105,3101
• UNII: W2545087UL
• DSSTox Substance ID: DTXSID1024671
• Nikkaji Number: J184.351F
• Wikipedia: Methyl_ethyl_ketone_peroxide
• Wikidata: Q2914590
• ChEMBL ID: CHEMBL1562553
• Mol file: 126-76-1.mol

Synonyms:Ketonox;methyl ethyl ketone peroxide

Chemical Property of 2-Butanone peroxide

Chemical Property:

• Vapor Pressure: 2.2mmHg at 25°C
• Boiling Point: 167.9°Cat760mmHg
• Flash Point: 41.2°C
• PSA: 77.38000
• Density: 1.053g/cm³
• LogP: 2.16620
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 210.11033829
• Heavy Atom Count: 14
• Complexity: 146
• Transport DOT Label: Organic Peroxide

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Peroxides, Organic
• Canonical SMILES: CCC(C)(OO)OOC(C)(CC)OO
• Inhalation Risk: A harmful concentration of airborne particles can be reached quickly when dispersed.
• Effects of Short Term Exposure: The substance is corrosive to the eyes, skin and respiratory tract. Corrosive on ingestion.

Technology Process of 2-Butanone peroxide

There total 3 articles about 2-Butanone peroxide 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: 95.2%

cyclohexanone (108-94-1,11119-77-0,9003-41-2,9075-99-4) + butanone (78-93-3) → 1-hydroxycyclohexyl 1-hydroperoxycyclohexyl peroxide (78-18-2) + 3,6-dimethyl-3,6-dihydroperoxy-4,5-dioxaoctane (126-76-1)

Guidance literature:

With C₁₄H₃₄N₂O₆S₂⁽²⁺⁾*2HO₄S^(1-);

Reference yield: 94.2%

butanone (78-93-3) → 3,6-dimethyl-3,6-dihydroperoxy-4,5-dioxaoctane (126-76-1)

Guidance literature:

With dihydrogen peroxide; In pentane; at 70 - 80 ℃; for 4h; Solvent;

Reference yield:

→ 3,6-dimethyl-3,6-dihydroperoxy-4,5-dioxaoctane (126-76-1)

Guidance literature:

Methylethylketon, H2O2/ H2SO4;

upstream raw materials:

butanone

cyclohexanone

Downstream raw materials:

C₂₂H₃₈O₈

Refernces

• 1、 -. "Over oxydone synthetic method (by machine translation)". Paragraph 0063-0064; 0065-0066; 0067-0068;. . Retrieved 2019/03/08.
• 2、 -. "The metal organic framework material as the methyl ethyl ketone peroxide catalyst preparation method (by machine translation)". Paragraph 0020-0022. . Retrieved 2019/06/13.