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DI-TERT-BUTYL PEROXIDE

Di-tert-butyl peroxide or DTBP is an organic compound consisting of a peroxide group bonded to two tert-butyl groups.
Di-tert-butyl peroxide is one of the most stable organic peroxides, due to the tert-butyl groups being bulky.
Di-tert-butyl peroxide is a colorless liquid.

CAS: 110-05-4
European Community (EC) Number: 203-733-6

IUPAC Name: 2-tert-butylperoxy-2-methylpropane

Molecular Formula: C8H18O2
(CH3)3COOC(CH3)3
Molecular Weight: 146.23 g/mol

Di-tert-butyl peroxide, 110-05-4, tert-Butyl peroxide, Di-t-butyl peroxide, t-Butyl peroxide, Cadox, Peroxide, bis(1,1-dimethylethyl), Trigonox B, 2-(tert-Butylperoxy)-2-methylpropane, tert-Butylperoxide, Cadox TBP, Kayabutyl D, Perbutyl D, Interox DTB, Bis(tert-butyl) peroxide, Di-tert-butylperoxid, Peroxyde de butyle tertiaire, Di-tert-butyl peroxyde, Di-tert-Butyl hydroperoxide, di-tert-butylperoxide, Perossido di butile terziario, NSC 673, 2-tert-butylperoxy-2-methylpropane, Bis(1,1-dimethylethyl) peroxide, Di-tertiary-butyl peroxide, M7ZJ88F4R1, DTXSID2024955, NSC-673, (Tributyl)peroxide, DTXCID704955, Bis(t-butyl)peroxide, 2,2'-dioxybis(2-methylpropane), T-butyl-peroxide, CAS-110-05-4, di-t butyl peroxide, Di-tert-butylperoxid [German], CCRIS 4613, di(t-butyl) peroxide, Di-tert-butyl peroxyde [Dutch], HSDB 1326, EINECS 203-733-6, Peroxyde de butyle tertiaire [French], BIS(1,1-DIMETHYLETHYL)PEROXIDE, Perossido di butile terziario [Italian], UNII-M7ZJ88F4R1, t-butylperoxide, tBuOOtBu, Di-t-butylperoxide, di-tertbutylperoxide, ditert.butylperoxide, 2-tert-butylperoxy-2-methyl-propane, MFCD00008803, di-tertbutyl peroxide, ditert-butyl peroxide, di-tert.butyl peroxide, di-tertiarybutylperoxide, ditertiary butylperoxide, ditertiarybutyl peroxide, Peroxide, tert-butyl-, di(tert.-butyl)peroxide, di(tert.butyl) peroxide, di-tert.-butyl peroxide, di-tertiary butylperoxide, ditertiary butyl peroxide, (tert-C4H9O)2, di-tertiary butyl peroxide, DTBP [MI], Peroxide, bis-tert-butyl-, EC 203-733-6, SCHEMBL14861, NSC673, CHEMBL1558599, (CH3)3CO-OC(CH3)3, 2-tert-butyldioxy-2-methylpropane, Tox21_201461, Tox21_300099, AKOS015902599, 2-(tert-Butylperoxy)-2-methylpropane #, NCGC00091801-01, NCGC00091801-02, NCGC00091801-03, NCGC00254065-01, NCGC00259012-01, tert-Butyl peroxide (Luperox DI), 97%, Luperox(R) DI, tert-Butyl peroxide, 98%, D3411, NS00006093, BIS(1,1-DIMETHYLETHYL)PEROXIDE [HSDB], A802134, Q413043, t-butyl peroxide bis(1,1-di-methylethyl)peroxide, J-002365, J-520402, WLN: 1X1 & 1 & OOX1 & 1 & 1, F0001-0215

Di-tert-butyl peroxide is a clear colorless liquid.

Di-Tert-Butyl Peroxide (DTBP), with the chemical formula (CH3)3COOC(CH3)3, is a powerful organic peroxide widely used as a radical initiator in the polymerization process and as a catalyst in various chemical reactions.
This colorless liquid or crystalline solid is known for its ability to decompose into free radicals at elevated temperatures, making it an essential component in the manufacturing of plastics, rubber, and other polymer-based materials.

Di-Tert-Butyl Peroxide is characterized by its structure, consisting of two tert-butyl groups connected by a peroxide bond.
This unique configuration grants DTBP its high thermal stability and reactivity, which are crucial for its role as a polymerization initiator and in various organic syntheses.

Di-tert-butyl Peroxide, also known as DTBP, is an organic compound used in polymer chemistry and organic synthesis as a radical initiator.

Di-tert-butyl peroxide has been used as a radical initiator to induce free radical polymerization.
Di-tert-butyl peroxide has also been used as a cetane enhancer in a study to determine the phase behavior of carboxylate-based extended surfactant reverse micellar microemulsions with ethanol and vegetable oil/diesel blends.

Di-tert-butyl peroxide can be used for the market segments: polymer production, polymer crosslinking and acrylics production with their different applications/functions.

Di-tert-butyl peroxide (DTBP) is a colorless, volatile liquid characterized by its sweet odor.
With the chemical formula C8H18O2, Di-tert-butyl peroxide serves as an organic peroxide compound.
Di-tert-butyl peroxide finds extensive applications in both research and industry.
Di-tert-butyl peroxide plays a role as an initiator in polymerization reactions and acts as a catalyst for organic synthesis.
Furthermore, Di-tert-butyl peroxide contributes to the production of polymers and various materials, acting as a cross-linker in the synthesis of polyolefins.

Di-tert-butyl peroxide used as a crosslinking agent for unsaturated polyesters and silicone rubbers, also as a polymerization initiator.
Di-tert-butyl peroxide is widely used as a crosslinking agent for unsaturated polyester and silicone rubber, a polymerization initiator for monomers, a polypropylene modifier, a rubber vulcanizing agent, etc.

Di-tert-butyl peroxide is a very stable organic peroxide, that is often used a radical initiator, as it performs homolysis at temperatures above 100°C.

Di-tert-butyl peroxide is an efficient initiator for the production of Low Density Polyethylene (LDPE).
Di-tert-butyl peroxide is used both for tubular and autoclave processes.
In most cases a combination with other peroxides is used to ensure a broad reactivity range.
Di-tert-butyl peroxide may also be used for the polymerization and copolymerization of styrene in the temperature range of 95-185°C.
In practice, combinations of two or more peroxides with diverging activities are used to reduce the residual monomer content in the final polymer and to increase reactor efficiency.

Di-tert-butyl peroxide can be used as initiator for the solution (co)polymerization of acrylates and methacrylates in the temperature range of 130 175°C, amongst others for the manufacture of coatings.
Di-tert-butyl peroxide can also be applied as an initiator for the bulk and suspension (co)polymerization of acrylates and methacrylates.

Di-tert-butyl peroxide is a reactive oxygen species that has been used as an oxidant in organic synthesis.
Di-tert-butyl peroxide is typically produced by the oxidation of tert-butanol with hydrogen peroxide and sodium citrate.
Di-tert-butyl peroxide has been shown to be highly resistant to degradation, even at high pH values.
Di-tert-butyl peroxide has also been shown to induce neuronal death in vivo, which may be due to its ability to produce hydroxyl radicals and other reactive oxygen species.
Di-tert-butyl peroxide can be used for wastewater treatment because it reacts with organic matter and produces less sludge than chlorine.
Di-tert-butyl peroxide also has the ability to react with chemicals in a variety of ways, including transfer reactions, such as the addition of alcohols or esters.

Di-tert-butyl peroxide is a stable organic peroxide that releases free radicals upon decomposition at elevated temperatures.
Di-tert-butyl peroxide is commonly used as a radical initiator in polymerization reactions and exhibits solubility in organic solvents but not in water.
Di-tert-butyl peroxide finds application in alkylating reactions, facilitating α-functionalization of α-amino carbonyl compounds.
Di-tert-butyl peroxide also plays a role in methylation reactions, acting as a direct aromatic methylation agent when combined with a palladium catalyst.
The reaction mechanism involves both radical and non-radical pathways, with reductive elimination playing a crucial role in forming important C-C bonds.

Di-tert-butyl peroxide is an organic peroxide with the chemical formula (CH3)3COOOH.
Di-tert-butyl peroxide is a colorless to yellow liquid with a characteristic odor.
Di-tert-butyl peroxide is soluble in organic solvents such as ethers, hydrocarbons, and halogenated solvents, but it is insoluble in water.
One of the notable characteristics of di-tert-butyl peroxide is its stability at room temperature.
However, when exposed to elevated temperatures, it undergoes slow decomposition, releasing free radicals.
This property makes di-tert-butyl peroxide useful as a radical initiator in various chemical reactions.
Di-tert-butyl peroxide exhibits stability in the presence of moisture and most acids.
Di-tert-butyl peroxide can maintain its integrity under these conditions without decomposition.
However, Di-tert-butyl peroxide is important to note that di-tert-butyl peroxide decomposes in the presence of strong bases.
In summary, di-tert-butyl peroxide is a versatile organic peroxide used primarily as a radical initiator in polymerization reactions.
Di-tert-butyl peroxide is stable at room temperature, soluble in organic solvents, but insoluble in water.
Di-tert-butyl peroxide’s-controlled decomposition at high temperatures releases free radicals, making it valuable in a wide range of industrial applications.

Di-tert-butyl peroxide is a volatile, slightly yellow transparent liquid, which is an alkyl hydrogen organic peroxide.
Di-tert-butyl peroxide is mainly used as initiator for polymerization reaction (such as elimination of monomer after polymerization of PVC and polyacrylic lotion);
Di-tert-butyl peroxide can also be widely used as a raw material for synthesizing other organic peroxides.

Di-tert-butyl peroxide used as a crosslinking agent for unsaturated polyesters and silicone rubbers, also as a polymerization initiator
Di-tert-butyl peroxide is widely used as a crosslinking agent for unsaturated polyester and silicone rubber, a polymerization initiator for monomers, a polypropylene modifier, a rubber vulcanizing agent, etc.

Appearance: A colorless to pale yellow liquid or solid, depending on the temperature, with a characteristic odor.
Boiling Point: Exhibits a relatively high boiling point, indicative of its thermal stability.
Solubility: Soluble in organic solvents, facilitating its use in various organic reactions and polymerization processes.
Decomposition: DTBP decomposes thermally, releasing free radicals beneficial for initiating polymerization reactions.

Di-tert-butyl peroxide serves a critical role in the chemical industry as an initiator for the polymerization of monomers into plastics, rubbers, and elastomers, enhancing the properties of these materials.
Di-tert-butyl peroxide's application extends to the synthesis of fine chemicals, where it is used to initiate radical reactions.
The versatility and efficiency of di-tert-butyl peroxide make it a valuable asset in the production of high-performance and durable polymer products.

Physicochemical Information
Density: 0.80 g/cm3 (20 °C)
Flash point: 6 °C
Ignition temperature: 182 °C
Melting Point: -40 °C
Vapor pressure: 53 hPa (20 °C)
Solubility: 0.063 g/l

Reactions
The peroxide bond undergoes homolysis at temperatures above 100 °C.
For this reason di-tert-butyl peroxide is commonly used as a radical initiator in organic synthesis and polymer chemistry.
The decomposition reaction proceeds via the generation of methyl radicals.

(CH3)3COOC(CH3)3 → 2 (CH3)3CO•
(CH3)3CO• → (CH3)2CO + CH•3
2 CH•3 → C2H6

Di-tert-butyl peroxide can in principle be used in engines where oxygen is limited, since the molecule supplies both the oxidizer and the fuel.

Applications in organic synthesis

Alkylating reactions
Di-tert-butyl peroxide is a compound that finds application in alkylating reactions, specifically in the α-alkylation of α-amino carbonyl compounds using simple alkanes.
This reaction is noteworthy as it proceeds through the cleavage of dual sp (3) C-H bonds, providing a facile pathway for the α-functionalization of α-amino ketones and α-amino esters.
The use of di-tert-butyl peroxide as a promoter allows for the radical pathway to be involved in this transformation.
The radical mechanism involves the generation of alkyl radicals from the simple alkanes, which then react with the α-amino carbonyl compounds to form the desired α-alkylated products.
This method demonstrates the versatility and utility of di-tert-butyl peroxide in the field of alkylating reactions, particularly in the context of α-functionalization.
Di-tert-butyl peroxide provides a convenient and efficient route for the introduction of alkyl groups onto α-amino ketones and α-amino esters, expanding the synthetic possibilities for these important classes of compounds.

Methylation reaction
Di-tert-butyl peroxide has been widely used in the methylation reaction as a direct aromatic methylation process with palladium (PdCl2) catalyst.
In a study, the mechanism of methylation reactions using di-tert-butyl peroxide has been elucidated through energy calculations based on M06 density functional theory.
The research specifically focuses on the introduction of methyl radicals to the ortho position of the commonly used substrate, 2-phenylpyridine, via tert-butyl peroxide.
By identifying the key intermediates and transition states in the reaction sequence, the reaction mechanism is explained.
Different possibilities regarding the coordination site between the substrate and the catalyst as well as subsequent mechanisms are discussed in detail.
The main mechanistic events include: (a) oxidative or solvolysis of the peroxide O-O bond, (b) C-H bond activation, (c) C-C bond activation, and (d) reductive elimination leading to the transfer of the methyl group onto the aromatic ring.
Both radical and non-radical pathways are considered.
In the non-radical pathway, the lowest energy path involves C-H bond activation prior to peroxide coordination to palladium, followed by O-O bond cleavage and C-C bond activation.
Intermediate species generated through reductive elimination play a crucial role in forming important C-C bonds between the methyl and aromatic carbon.
In the non-radical pathway, the energy barrier for C-C bond activation is higher and identified as the rate-limiting step of the reaction.
However, in the radical pathway, the activation energy for C-C bond cleavage is lower than that for peroxide O-O bond cleavage.
Di-tert-butyl peroxide is found that a combination of both radical and non-radical pathways, involving the formation of a palladium methyl intermediate, is the most favorable route.
The predicted mechanism is consistent with experimental observations of the PdCl2-catalyzed methylation reaction using tert-butyl peroxide on 2-phenylpyridine.

Di-tert-butyl peroxide is a clear, water-white liquid.
Di-tert-butyl peroxide has a specific gravity of 0.79, which is lighter than water, and it will float on the surface.
Di-tert-butyl peroxide is nonpolar and insoluble in water.
Di-tert-butyl peroxide is a strong oxidizer and may ignite organic materials or explode if shocked or in contact with reducing agents.
In addition to being an oxidizer, Di-tert-butyl peroxide is highly flammable.
Di-tert-butyl peroxide has a boiling point of 231°F (110°C) and a flash point of 65°F (18°C).

Di-tert-butyl peroxide (DTBP) consists of a peroxide group bonded to two tert-butyl groups.
Since the tert-butyl groups are bulky, it is one of the most stable organic peroxides.

The decomposition reaction proceeds via the generation of methyl radicals.
The peroxide bond undergoes homolysis at temperatures above 100 °C.
Hence di-tert-butyl peroxide is commonly used as a radical initiator in organic synthesis and polymer chemistry.
Di-tert-butyl peroxide can in principle be used in engines where oxygen is limited, since the molecule supplies both the oxidizer and the fuel.

DTBP (Di-tert-butyl peroxide) is a transparant liquid which has C8H18O2 as chemical formula.
This dialkyl peroxide is used as initiator for the production of Low Density Polyethylene (LDPE).
Further it finds its application in the polymerization and copolymerization of styrene, olefins and acrylic resins and as modification agent of polypropylene degradation.

Di-tert-butyl peroxide is also known as DTBP, peroxide bis(1,1-dimethylethyl) and tert-Butyl peroxide.

Properties
Melting Point: -40 °C
Boiling Point: 111 °C
Flash point: 12 °C
Specific Gravity (20/20): 0.80
Refractive Index: 1.39
Solubility in water: Insoluble
Solubility (soluble in): Acetone

Colourless, mobile liquid, consisting of technically pure di-(tert.butyl) peroxide.
This highly volatile dialkyl peroxide is used as an initiator (radical source) in the polymerisation of monomers, crosslinking of polyethylene, and rheology control of polypropylene.

USES:

Di-tert-butyl peroxide is used as an initiator for high-temperature, high-pressure polymerizations of ethylene and halogenated ethylenes;
Di-tert-butyl peroxide is used in the synthesis of polyketones;
Di-tert-butyl peroxide is used as a finishing catalyst for polystyrene;
Di-tert-butyl peroxide is used as a polymerization catalyst for acrylonitrile polymers and resins (including olefins, styrene, styrenated alkyds, and silicones);
Di-tert-butyl peroxide is used as curing agent for styrenated alkyds and silicone rubbers;
Di-tert-butyl peroxide is used as ignition accelerator for diesel fuels;
and as a cross-linking agent (rubber and resins)

Applications

POLYMER CROSSLINKING:
A peroxidic crosslinking agent for polyethylene (HDPE and LDPE).
Crosslinking temperature: above 180°C.
At below 150°C no premature crosslinking (scorch) occurs.
Usage level: 0.5-2% w/w of product as supplied on the material to be crosslinked.
Special advantages: Extremely effective and relatively scorch free.
Volatile, odour free decomposition products, and no blooming of the vulcanisate surface.
The high volatility of the product demands that closed systems are applied during compounding and diffusion processes with polyethylene powder.
Di-tert-butyl peroxide is used especially in extrusion processes (RAM-Extrusion for pressure pipes)

CR-POLYPROPYLENE:
A radical source to control the rheology of polypropylene.
Temperature range: 200°C - 220°C.
Dosage level: 0.01% - 0.1% w/w of product as supplied, based on the polymer.
This degradation (e.g. in an extruder) lowers the molecular weight mean, and permits easier (re-)processing of the polypropylene.

Polymerization of ethylene:

Di-tert-butyl peroxide can be used as an initiator in both, tubular and autoclave process for the production of low density polyethylene.
To ensure a broad reactive range Di-tert-butyl peroxide can be used in combination with other peroxides.

Polymerization of styrene:

At an elevated temperature range of about 95°C - 185°C, Di-tert-butyl peroxide can be used for the polymerization and co-polymerisation of styrene.
Typically, Di-tert-butyl peroxide is used in combination with other peroxides having diverging activities to reduce the residual monomer content in the final product and to increase reactor efficiency.
During polymerization the temperature is increased in steps.

Polymerization of acrylates and methacrylates:

For the solution (co)polymerization of acrylates and metha-acrylates for the manufacturing of coatings, DTBP can act as a efficient initiator, here the polymerization process takes place in the temperature range of 130°C-175°C.
Amongst many others, Di-tert-butyl peroxide can also be applied as an initiator for the bulk and suspension (co)polymerization of acrylates and methacrylates.

Di-tert-butyl peroxide or DTBP or Tert-Butyl peroxide is an organic compound consisting of a peroxide group bonded to two tert-butyl groups.
Di-tert-butyl peroxide is one of the most stable organic peroxides.
Di-Tert-Butyl Peroxide or DTBP is used to as a catalyst of polymerization for olefin copolymers and cross linking agent for unsaturated polyesters.
Di-tert-butyl peroxide is also used as a fuel additive and chemical intermediate.
Di-tert-butyl peroxide is a strong free radical source containing more than 10.9% of active oxygen.
Di-tert-butyl peroxide decomposes rapidly, causing fire and explosion hazard, on heating and under influence of light.

Di-tert-butyl peroxide (DTBP), an important substance in chemical production, is widely used in olefin polymerization and the improving anti-knock performance of diesel.
Di-tert-butyl peroxide synthesized from isobutane selective peroxidation can not only improve the utilization of isobutane resources but also overcome the defects in conventional DTBP synthesis methods.

Di-tert-butyl peroxide is an irritant to the nose, eyes, and skin.
Di-tert-butyl peroxide is also flammable, so it should be handled with care.

The production process of Di-tert-butyl peroxide (initiator A) is carried out intermittently, with wastewater quality, quantity, organic matter concentration, pH, salt content, BOD/CDO values vary with production scale and time, and peak-to-valley values vary greatly.
Di-tert-butyl peroxide thermal instability, easy to accelerate the decomposition, causing explosion;
Dissolved in wastewater Di-tert-butyl peroxide also rapidly decomposed at high temperature, there are also security risks.
A large amount of waste acid is produced in the production process, and a large amount of alkali washing waste liquid is produced during the purification of the product.
The concentration of pollutants in wastewater is high, the composition is complex, and the B/C value is very low, which can not be treated by biochemical treatment.
Direct discharge of such wastewater into rivers can lead to serious water pollution.

Di-tert-butyl peroxide (initiator A) is one of the most stable Organic Peroxide initiators and a commonly used variety.
As the cross-linking agent, Di-tert-butyl peroxide can be used for silicone rubber, synthetic rubber and natural rubber, polyethylene, EVA and EPT, etc.
As the polymerization initiator, polystyrene and polyethylene can be used.
Di-tert-butyl peroxide can also be used for grease food bleaching agent, diesel oil and lubricating oil additives, transformer pour point depressant.

Di-tert-butyl peroxide is obtained by reacting tert-butyl alcohol with hydrogen peroxide in concentrated sulfuric acid.
A mixture of 222g(3mol) of tert-butanol and 70% g(1mol) of sulfuric acid was cooled to -2 to -8 °c.
Under vigorous stirring, 126g(1mol) of 27% hydrogen peroxide and g(4mol) of concentrated sulfuric acid were added dropwise over 90min, and stirring was continued for 3h after addition.
The oil layer was separated, washed with 60ml of water, then with 30% sodium hydroxide solution to remove tert-butyl hydroperoxide, and finally with water.
Magnesium sulfate was added, dried and filtered to obtain the finished product.

The Di-tert-butyl peroxide molecule consists of 18 Hydrogen atom(s), 8 Carbon atom(s), and 2 Oxygen atom(s) - a total of 28 atom(s).
The molecular weight of Di-tert-butyl peroxide is determined by the sum of the atomic weights of each constituent element multiplied by the number of atoms, which is calculated to be:

146.22732⋅gmol