2,6-Di-tert-butyl-4-hydroperoxy-4-methyl-2,5-cyclohexadienone

Base Information

Chemical Name:2,6-Di-tert-butyl-4-hydroperoxy-4-methyl-2,5-cyclohexadienone
CAS No.:6485-57-0
Molecular Formula:C15H24 O3
Molecular Weight:252.354
Hs Code.:2914299000
UNII:HK05U8X26D
DSSTox Substance ID:DTXSID20215139
Nikkaji Number:J75.333E
Wikidata:Q27279960
Mol file:6485-57-0.mol

Synonyms:2,6-di-tert-butyl-4-hydroperoxy-4-methyl-2,5-cyclohexadienone;BHTOOH

Suppliers and Price of 2,6-Di-tert-butyl-4-hydroperoxy-4-methyl-2,5-cyclohexadienone

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

American Custom Chemicals Corporation
2,6-DITERTBUTYL-4-HYDROPEROXY-4-METHYL-2,5-CYCLOHEXADIENONE 95.00%
5MG
$ 502.54

Total 21 raw suppliers

Chemical Property of 2,6-Di-tert-butyl-4-hydroperoxy-4-methyl-2,5-cyclohexadienone

Chemical Property:

Vapor Pressure:1.18E-06mmHg at 25°C
Boiling Point:360.6°Cat760mmHg
Flash Point:125°C
PSA：46.53000
Density:1.02g/cm³
LogP:3.76240
XLogP3:3.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:252.17254462
Heavy Atom Count:18
Complexity:380

Purity/Quality:

99% ^*data from raw suppliers

2,6-DITERTBUTYL-4-HYDROPEROXY-4-METHYL-2,5-CYCLOHEXADIENONE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1(C=C(C(=O)C(=C1)C(C)(C)C)C(C)(C)C)OO
General Description 2,6-Di-tert-butyl-4-hydroperoxy-4-methyl-2,5-cyclohexadienone (BHT-OOH) is a metabolite of butylated hydroxytoluene (BHT) with notable radical-scavenging activity. Compared to BHT, BHT-OOH exhibits a lower stoichiometric factor (n = 0.1–0.3) but a higher inhibition rate constant (k_inh = 0.7–1.9 × 10⁴ M^?1 s^?1), indicating its efficiency in suppressing radical-mediated polymerization reactions. While less effective than BHT in terms of radical quenching capacity (n value), BHT-OOH demonstrates superior reactivity toward peroxyl radicals compared to the parent compound. Its activity varies depending on the radical initiation system, suggesting context-dependent antioxidant behavior.

Technology Process of 2,6-Di-tert-butyl-4-hydroperoxy-4-methyl-2,5-cyclohexadienone

There total 15 articles about 2,6-Di-tert-butyl-4-hydroperoxy-4-methyl-2,5-cyclohexadienone 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: 99.0%

: 128-37-0
2,6-di-tert-butyl-4-methyl-phenol

: 6485-57-0
2,6-di-tert-butyl-4-hydroperoxy-4-methyl-2,5-cyclohexadienone

Guidance literature:: With methylene blue; In methanol; water; for 0.266667h; under 7500.75 Torr; Irradiation; Flow reactor;
DOI:10.1002/chem.202101313

Reference yield: 91.0%

: 128-37-0
2,6-di-tert-butyl-4-methyl-phenol

: 52922-83-5
1,3-di-tert-butyl-5-hydroxy-5-methyl-7-oxabicyclo[4.1.0]hept-3-en-2-one

: 6485-57-0
2,6-di-tert-butyl-4-hydroperoxy-4-methyl-2,5-cyclohexadienone

Guidance literature:: With (3-)*3Et4N(1+); oxygen; In N,N-dimethyl-formamide; at 0 ℃; for 2h;
DOI:10.1016/S0040-4039(00)78620-5

Reference yield: 57.0%

: 128-37-0
2,6-di-tert-butyl-4-methyl-phenol

: 10396-80-2
2,6-di-tert-butyl-4-hydroxy-4-methylcyclohexa-2,5-dienone

: 6485-57-0
2,6-di-tert-butyl-4-hydroperoxy-4-methyl-2,5-cyclohexadienone

Guidance literature:: With 1-([1,1'-biphenyl]-2-yl)propan-1-one; oxygen; rose bengal; potassium carbonate; at 20 ℃; for 34h; Irradiation;
DOI:10.1016/j.tetlet.2020.151823