2,5-Di(tert-butylperoxy)-2,5-dimethyl-3-hexyne

Base Information

• Chemical Name: 2,5-Di(tert-butylperoxy)-2,5-dimethyl-3-hexyne
• CAS No.: 1068-27-5
• Deprecated CAS: 151768-59-1,261178-83-0,261178-83-0
• Molecular Formula: C16H30O4
• Molecular Weight: 286.412
• Hs Code.: 29096000
• European Community (EC) Number: 213-944-5
• UN Number: 310131033106
• UNII: 4O3I2IK0J0
• DSSTox Substance ID: DTXSID1044512
• Nikkaji Number: J2.124E
• Wikidata: Q27260268
• Mol file: 1068-27-5.mol

Synonyms:1068-27-5;2,5-Di(tert-butylperoxy)-2,5-dimethyl-3-hexyne;2,5-Bis(tert-butylperoxy)-2,5-dimethyl-3-hexyne;2,5-bis(tert-butylperoxy)-2,5-dimethylhex-3-yne;2,5-Dimethyl-2,5-di(t-butylperoxy)hexyne-3;BRN 1711920;EINECS 213-944-5;UNII-4O3I2IK0J0;4O3I2IK0J0;Peroxide, (1,1,4,4-tetramethyl-2-butyne-1,4-diyl)bis((1,1-dimethylethyl);Di-tert-butyl 1,1,4,4-tetramethylbut-2-yn-1,4-ylene diperoxide;25-Dimethyl-25-di(tertiary-butylperoxy)-hexyne-3;4-01-00-02701 (Beilstein Handbook Reference);3-HEXYNE, 2,5-DIMETHYL-2,5-DI(t-BUTYLPEROXY)-;Peroxide, 1,1'-(1,1,4,4-tetramethyl-2-butyne-1,4-diyl)bis(2-(1,1-dimethylethyl);Peroxide, (1,1,4,4-tetramethyl-2-butynylene)bis[tert-butyl;PEROXIDE, (1,1,4,4-TETRAMETHYL-2-BUTYNYLENE)BIS(TERT-BUTYL;Peroxide, (1,1,4,4-tetramethyl-2-butyne-1,4-diyl)bis[(1,1-dimethylethyl);Peroxide, 1,1'-(1,1,4,4-tetramethyl-2-butyne-1,4-diyl)bis[2-(1,1-dimethylethyl);Luperox 130;SCHEMBL24779;2,5-Di(tert-butylperoxy)-2,5-dimethyl-3-hexyne, blend;DTXSID1044512;NA2158;NA2159;UN2158;UN2159;AKOS015912639;LS-75750;2,5-dimethyl-2,5-di(t-butylperoxy)hexyne;2,5-dimethyl-2,5-di(t-butylperoxy)-hexyne;2,5-dimethyl-2,5-di-tert-butylperoxyhexyne;FT-0743793;2,5-bis-(t-butylperoxy)-2,5-dimethylhexyne;2,5-Di(t-butylperoxy) 2,5-dimethyl-3-hexyne;2,5-dimethyl-2,5-bis(tert-butylperoxy)hexyne;2,5-dimethyl-2,5-di(t-butylperoxy)-3-hexyne;2,5-dimethyl-2,5-di(tert.butylperoxy) hexine;2,5-dimethyl-2,5-di(tert-butylperoxy)hexyne-3;2,5-dimethyl-2,5-bis(tert-butylperoxy)-3-hexyne;2,5-dimethyl-2,5-di(tert-butylperoxy)-3-hexyne;2,5-BIS(TERT-BUTYLPEROXY)-2,5-DIMETHYLHEXYNE;Q27260268;2,5-DIMETHYL-2,5-BIS(TERT-BUTYLDIOXY)-3-HEXYNE;PEROXIDE, (TETRAMETHYL-2-BUTYNYLENE)BIS(TERT-BUTYL;2,5-Di(tert-butylperoxy)-2,5-dimethyl-3-hexyne, technical grade, 90%;3,4,9,10-TETRAOXADODEC-6-YNE, 2,2,5,5,8,8,11,11-OCTAMETHYL-;Peroxide, (1,1,4,4-tetramethyl-2-butyne- 1,4-diyl)bis[(1,1-dimethylethyl)

Chemical Property of 2,5-Di(tert-butylperoxy)-2,5-dimethyl-3-hexyne

Chemical Property:

• Appearance/Colour: It is generally stored or transported as a mixture, with an inert solid.
• Vapor Pressure: 0.00154mmHg at 25°C
• Melting Point: 88 °C (SADT)(lit.)
• Refractive Index: 1.449
• Boiling Point: 304.8 °C at 760 mmHg
• Flash Point: 85 °C
• PSA: 36.92000
• Density: 0.949 g/cm³
• LogP: 4.04040
• Storage Temp.: 2-8°C
• Water Solubility.: 2.2mg/L at 20℃
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 8
• Exact Mass: 286.21440943
• Heavy Atom Count: 20
• Complexity: 335
• Transport DOT Label: Organic Peroxide Explosive

Purity/Quality:

99.9% ^*data from raw suppliers

2,5-Di(tert-butylperoxy)-2,5-dimethyl-3-hexyne, blend ^*data from reagent suppliers

Safty Information:

• Pictogram(s): O, Xi
• Hazard Codes: O,Xi,Xn,F,E
• Statements: 8-38-36/37/38-7-41-37/38-20-11-36/38-2
• Safety Statements: 7-17-36/37/39-36-26-3/7-14-47-35

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OOC(C)(C)C#CC(C)(C)OOC(C)(C)C
• Uses: Free radical polymerization initiator.

Technology Process of 2,5-Di(tert-butylperoxy)-2,5-dimethyl-3-hexyne

There total 2 articles about 2,5-Di(tert-butylperoxy)-2,5-dimethyl-3-hexyne 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:

2,5-dihydroxy-2,5-dimethyl-3-hexyne (142-30-3) → 2,5-dimethyl-2,5-bis(tert-butylperoxy)-3-hexyne (1068-27-5)

Guidance literature:

Multi-step reaction with 2 steps

1: aqueous hydrogen peroxide; sulfuric acid

2: aqueous sulfuric acid

With sulfuric acid; dihydrogen peroxide;

DOI:10.1021/ja01126a033

Reference yield:

2,5-dimethyl-2,5-dihydroperoxy-3-hexyne (3491-36-9) + tert-butyl alcohol (75-65-0) → 2,5-dimethyl-2,5-bis(tert-butylperoxy)-3-hexyne (1068-27-5)

Guidance literature:

With sulfuric acid;

DOI:10.1021/ja01126a033

upstream raw materials:

2,5-dimethyl-2,5-dihydroperoxy-3-hexyne

tert-butyl alcohol

2,5-dihydroxy-2,5-dimethyl-3-hexyne