tert-Amyl hydroperoxide

Base Information

• Chemical Name: tert-Amyl hydroperoxide
• CAS No.: 3425-61-4
• Molecular Formula: C5H12 O2
• Molecular Weight: 104.149
• Hs Code.: 29096000
• European Community (EC) Number: 222-321-7
• UNII: 8DSG8F2WBP
• DSSTox Substance ID: DTXSID6029256
• Nikkaji Number: J69.507F
• Mol file: 3425-61-4.mol

Synonyms:tert-amylhydroperoxide;tertiary-amyl hydroperoxide

Chemical Property of tert-Amyl hydroperoxide

Chemical Property:

• Vapor Pressure: 2.01mmHg at 25°C
• Melting Point: -70°C
• Refractive Index: 1.5000 (estimate)
• Boiling Point: 144.6ºC
• PKA: 12.71±0.50(Predicted)
• Flash Point: 41.2 ºC
• PSA: 29.46000
• Density: 0.905 g/cm³
• LogP: 1.66460
• Water Solubility.: 63.25g/L at 20℃
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 104.083729621
• Heavy Atom Count: 7
• Complexity: 50

Purity/Quality:

99% ^*data from raw suppliers

tert-AmylHydroperoxide ^*data from reagent suppliers

Safty Information:

• Statements: 7-11-52/53-68
• Safety Statements: 3/7-14-16-23-36/37/39-61

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Peroxides, Organic
• Canonical SMILES: CCC(C)(C)OO
• Uses: tert-AmylHydroperoxide is a free radical initiator; used in preparation of low-dielectric high-strength resin compound, prepreg and laminate.

Technology Process of tert-Amyl hydroperoxide

There total 15 articles about tert-Amyl hydroperoxide 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: 93.6%

tert-Amyl alcohol (75-85-4) → tert-amyl hydroperoxide (3425-61-4)

Guidance literature:

With sulfuric acid; dihydrogen peroxide; In water; at 5 - 90 ℃; for 0.0626667h; Temperature; Flow reactor;

Reference yield:

methylbutane (78-78-4) + pentane (109-66-0,8031-35-4,9078-70-0) → tert-Amyl alcohol (75-85-4) + ethanol (64-17-5) + (+/-)-2-pentanol (6032-29-7,13403-73-1) + tert-amyl hydroperoxide (3425-61-4) + acetic acid (64-19-7,77671-22-8) + acetone (67-64-1)

Guidance literature:

With tert.-butylhydroperoxide; oxygen; magnesium oxide; at 140 ℃; for 4h; under 47304.6 Torr; Product distribution / selectivity;

Reference yield:

tert.-butylhydroperoxide (75-91-2) + methylbutane (78-78-4) + pentane (109-66-0,8031-35-4,9078-70-0) → tert-Amyl alcohol (75-85-4) + ethanol (64-17-5) + (+/-)-2-pentanol (6032-29-7,13403-73-1) + tert-amyl hydroperoxide (3425-61-4) + acetic acid (64-19-7,77671-22-8) + acetone (67-64-1)

Guidance literature:

With oxygen; magnesium oxide; at 140 ℃; for 4h; under 47304.6 Torr; Product distribution / selectivity;

upstream raw materials:

tert-Amyl alcohol

2-methyl-but-2-ene

methylbutane

1,1-dimethylpropylmagnesium chloride

Downstream raw materials:

di-tert-amyl peroxide

tert-pentyl benzoperoxoate

4-nitro-peroxybenzoic acid tert-pentyl ester

3-methyl-3-tert-amylperoxi-1-trimethylsilyl-1-butyne

Refernces

• 1、 -. "Synthesis and purification method of high-purity tert-amyl peroxy-2-ethylhexyl carbonate". Paragraph 0029-0031; 0034-0036; 0039-0041; 0044-0046. . Retrieved 2021/02/10.
• 2、 Liu, Qifan,Wang, Weigang,Liu, Ze,Wang, Tianhe,Wu, Lingyan,Ge, Maofa. "Organic hydroperoxide formation in the acid-catalyzed heterogeneous oxidation of aliphatic alcohols with hydrogen peroxide". . p. 19716 - 19724. Retrieved 2014/05/20.