1-(4-Isopropylphenyl)-1-methylethyl hydroperoxide

Base Information

• Chemical Name: 1-(4-Isopropylphenyl)-1-methylethyl hydroperoxide
• CAS No.: 98-49-7
• Deprecated CAS: 30498-45-4
• Molecular Formula: C12H18 O2
• Molecular Weight: 194.274
• Hs Code.: 2909600000
• European Community (EC) Number: 202-673-8
• DSSTox Substance ID: DTXSID30893285
• Nikkaji Number: J4.953K
• Wikidata: Q81982525
• Mol file: 98-49-7.mol

Synonyms:98-49-7;1-(4-Isopropylphenyl)-1-methylethyl hydroperoxide;1-(2-hydroperoxypropan-2-yl)-4-propan-2-ylbenzene;Hydroperoxide, 1-methyl-1-[4-(1-methylethyl)phenyl]ethyl;p-Diisorpopylbenzene hydroperoxide;EINECS 202-673-8;Hydroperoxide, 1-methyl-1-(4-(1-methylethyl)phenyl)ethyl;P-DI-ISOPROPYLBENZENE HYDROPEROXIDE;SCHEMBL374893;DTXSID30893285;1-(4-isopropylphenyl)-1-methylethylhydroperoxid;1-Methyl-1-[4-(1-methylethyl)phenyl]ethyl hydroperoxide

Chemical Property of 1-(4-Isopropylphenyl)-1-methylethyl hydroperoxide

Chemical Property:

• Vapor Pressure: 0.000425mmHg at 25°C
• Refractive Index: 1.5128 (estimate)
• Boiling Point: 302.9°Cat760mmHg
• Flash Point: 137°C
• PSA: 29.46000
• Density: 1.003g/cm³
• LogP: 3.53470
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 194.130679813
• Heavy Atom Count: 14
• Complexity: 167

Purity/Quality:

98%,99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C1=CC=C(C=C1)C(C)(C)OO

Technology Process of 1-(4-Isopropylphenyl)-1-methylethyl hydroperoxide

There total 7 articles about 1-(4-Isopropylphenyl)-1-methylethyl 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:

p-diisopropylbenzene dihydroperoxide (3159-98-6) → α,α-dimethyl-p-isopropylbenzyl alcohol (3445-42-9) + α,α,α',α'-tetramethyl-1,4-benzenedimethanol (2948-46-1) + 1-(4-isopropyl-phenyl)-1-methyl-ethyl hydroperoxide (98-49-7,30498-45-4) + hydroxyhydroperoxide of p-diisopropylbenzene (2948-45-0)

Guidance literature:

barium naphthenate; In various solvent(s); at 120 ℃; Product distribution; Rate constant; other temperature; other catalysts; the catalysts conc.; activity of catal;;

Reference yield:

1,4-bis(1-methylethyl)benzene (100-18-5) + oxygen (80937-33-3) → 1-(4-isopropyl-phenyl)-1-methyl-ethyl hydroperoxide (98-49-7,30498-45-4)

Guidance literature:

With sodium hydroxide; In water; at 95 ℃; for 14h;

Reference yield:

1,4-bis(1-methylethyl)benzene (100-18-5) → 1-(4-isopropyl-phenyl)-1-methyl-ethyl hydroperoxide (98-49-7,30498-45-4)

Guidance literature:

With oxygen; dibenzoyl peroxide;

upstream raw materials:

1,4-bis(1-methylethyl)benzene

p-diisopropylbenzene dihydroperoxide

Isopropylbenzene

oxygen

Downstream raw materials:

α,α-dimethyl-p-isopropylbenzyl alcohol

hydroxyhydroperoxide of p-diisopropylbenzene

C₂₄H₃₄O₂

4-Isopropylphenol

Refernces

• 1、 Tsyskovskaya, I. V.,Potekhin, V. M.. "CATALYTIC DECOMPOSITION OF p-DIISOPROPYLBENZENE DIHYDROPEROXIDE". . p. 1262 - 1265. Retrieved 2007/10/02.