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TERT BUTYL HYDROGEN PEROXIDE

Tert butyl hydrogen peroxide is a versatile organic peroxide widely used as a strong oxidizing agent and free-radical initiator in chemical manufacturing.
Tert butyl hydrogen peroxide is particularly valuable in polymerization, epoxidation, hydroxylation, and other controlled oxidation processes.
Tert butyl hydrogen peroxide's high reactivity makes it an important intermediate for producing polymers, resins, coatings, pharmaceuticals, and specialty chemicals.

CAS Number: 75-91-2
EC Number: 200-915-7
Molecular Formula: C4H10O2
Molecular Weight: 90.12 g/mol

Synonyms: Tert butyl hydrogen peroxide, 75-91-2, TBHP, T-Butyl hydroperoxide, tert-Butylhydroperoxide, Perbutyl H, 2-Hydroperoxy-2-methylpropane, t-Butylhydroperoxide, Cadox TBH, 1,1-Dimethylethyl hydroperoxide, Hydroperoxide, 1,1-dimethylethyl, Terc. butylhydroperoxid, Hydroperoxide, tert-butyl, Hydroperoxyde de butyle tertiaire, Tertiary butyl hydroperoxide, Trigonox a-75, 1,1-Dimethylethylhydroperoxide, terc.Butylhydroperoxid, Perbutyl H 69T, Luperox TBH 70X, Trigonox A-W 70, tert Butylhydroperoxide, DE 488, 955VYL842B, NSC-672, KAYABUTYL H 70, DTXSID9024693, CHEBI:64090, tertiary-Butylhydroperoxide, t Butylhydroperoxide, t Butyl Hydroperoxide, Hydroperoxide, t-Butyl, tert Butyl Hydroperoxide, tertiary Butylhydroperoxide, RefChem:6291, DTXCID504693, 200-915-7, tert-Butyl hydrogen peroxide, Slimicide DE-488, TBHP-70, Trigonox A-W70, NSC 672, tert-Butyl-hydroperoxide, Caswell No. 130BB, 2-methylpropane-2-peroxol, Trigonox A-75 [Czech], t-BuOOH, Tertiary-butyl hydroperoxide, terc.Butylhydroperoxid [Czech], CCRIS 5892, HSDB 837, terc. Butylhydroperoxid [Czech], Dimethylethyl hydroperoxide, T-Hydro, EINECS 200-915-7, DE-488, UNII-955VYL842B, BRN 1098280, AI3-50541, Hydroperoxyde de butyle tertiaire [French], Hydroperoxide, 1,1-dimethylethyl-, EC 200-915-7, 4-01-00-01616 (Beilstein Handbook Reference), MFCD00002130, Tert butyl hydrogen peroxide, >90% with water [Forbidden], Tert butyl hydrogen peroxide (70% in Water), Tert butyl hydrogen peroxide, >90% with water, tBOOH, Tert butyl hydrogen peroxide (5-6 M in Decane), 2-hydroperoxy-2-methyl-propane, Kayabutyl H, tBuOOH, tert-BuOOH, Perbutyl H 69, Perbutyl H 80, t-butyl-hydroperoxide, terbutyl hydroperoxide, tert-butyhydroperoxide, tert-C4H9OOH, t-butyl hydrogenperoxide, t-butyl-hydrogenperoxide, tert.-butylhydroperoxide, tert.butyl hydroperoxide, tertiarybutylhydroperoxide, tertbutylhydrogen peroxide, t-butyl hydrogen peroxide, tert.-butyl hydroperoxide, DSSTox_CID_4693, tert-butylhydrogen peroxide, 75-91-2(water), DSSTox_RID_78866, DSSTox_GSID_31209, SCHEMBL20212, tertiary butyl hydro peroxide, Hydroperoxide,1-dimethylethyl, Trigonox A-80 (Salt/Mix), UN 2093 (Salt/Mix), UN 2094 (Salt/Mix), SCHEMBL180050, USP -800 (Salt/Mix), CHEMBL348399, NSC672, SCHEMBL31240931, Tert butyl hydrogen peroxide (8CI), WLN: QOX1&1&1, 2-Methyl-prop-2-yl-hydroperoxide, Tox21_200838, Aztec t-butyl Hydroperoxide-70, Aq, Tert butyl hydrogen peroxide [II], Tert butyl hydrogen peroxide [MI], AKOS000121070, Tert butyl hydrogen peroxide [HSDB], Tert butyl hydrogen peroxide, 70% in water, NCGC00090725-01, NCGC00090725-02, NCGC00090725-03, NCGC00258392-01, Hydroperoxide, 1,1-dimethylethyl (9CI), B3153, NS00004543, Q286326, Tert butyl hydrogen peroxide solution 70 wt. % in H2O, F1905-8242

Tert butyl hydrogen peroxide is the organic compound with the formula (CH3)3COOH.
Tert butyl hydrogen peroxide is one of the most widely used hydroperoxides in a variety of oxidation processes, like the Halcon process.

Tert butyl hydrogen peroxide is normally supplied as a 69–70% aqueous solution.
Compared to hydrogen peroxide and organic peracids, Tert butyl hydrogen peroxide is less reactive and more soluble in organic solvents.

Overall, Tert butyl hydrogen peroxide is renowned for the convenient handling properties of its solutions.
Tert butyl hydrogen peroxide's solutions in organic solvents are highly stable.

Tert butyl hydrogen peroxide is an alkyl hydroperoxide in which the alkyl group is tert-butyl.
Tert butyl hydrogen peroxide is widely used in a variety of oxidation processes.
Tert butyl hydrogen peroxide has a role as an antibacterial agent and an oxidising agent.

Tert butyl hydrogen peroxide is defined as an organic peroxide commonly used as an initiator and catalyst in various oxidation processes, including the polymerization of polystyrene and polyacrylates.
Tert butyl hydrogen peroxide is characterized by high flammability and potential explosion risks, particularly when misted or concentrated.

Tert butyl hydrogen peroxide is an organic peroxide commonly supplied as a solution in water or an organic solvent and used as a strong oxidizing and initiating agent.
Tert butyl hydrogen peroxide is widely applied in polymerization, oxidation reactions, chemical synthesis, and the production of specialty chemicals.
Tert butyl hydrogen peroxide's high reactivity makes it useful as a radical initiator and oxidation reagent in controlled industrial processes.

Tert butyl hydrogen peroxide is used as an initiator for radical polymerization and in various oxidation process such as sharpless epoxidation.
Tert butyl hydrogen peroxide is involved in osmium catalyzed vicinal hydroxylation of olefins under alkaline conditions.

Furthermore, Tert butyl hydrogen peroxide is used in catalytic asymmetric oxidation of sulfides to sulfoxides using binaphthol as a chiral auxiliary and in the oxidation of dibenzothiophenes.
Tert butyl hydrogen peroxide plays an important role for the introduction of peroxy groups in organic synthesis.

Tert butyl hydrogen peroxide is a high-purity organic peroxide used as a polymerization initiator and in oxidation reactions.
Tert butyl hydrogen peroxide offers reliable performance in industrial applications.

Tert butyl hydrogen peroxide is an alkyl hydroperoxide in which the alkyl group is tert-butyl.
Tert butyl hydrogen peroxide is widely used in a variety of oxidation processes.

Tert butyl hydrogen peroxide has a role as an antibacterial agent and an oxidising agent.
Tert butyl hydrogen peroxide is defined as an alkyl peroxide commonly used as a terminal oxidant in transition metal-catalyzed oxidation reactions.

Tert butyl hydrogen peroxide is an organic peroxide with the chemical formula C4H10O2 and a CAS number of 75-91-2.
Tert butyl hydrogen peroxide is a colorless to pale yellow liquid that is soluble in organic solvents but only slightly soluble in water.

Tert butyl hydrogen peroxide is known for its strong oxidizing properties, making it useful in various chemical reactions, including as a radical initiator in polymerization processes and as an oxidizing agent in organic synthesis.
Tert butyl hydrogen peroxide is relatively stable under normal conditions but can decompose exothermically, especially when exposed to heat, light, or contaminants.

Uses of Tert Butyl Hydrogen Peroxide:
Tert butyl hydrogen peroxide is an intermediate in the production of propylene oxide and t-butyl alcohol from isobutane and propylene.
Tert butyl hydrogen peroxide is primarily used as an initiator and finishing catalyst in the solution and emulsion polymerization methods for polystyrene and polyacrylates.

Other uses are for the polymerization of vinyl chloride and vinyl acetate and as an oxidation and sulfonation catalyst in bleaching and deodorizing operations.
Tert butyl hydrogen peroxide is a strong oxidant and reacts violently with combustible and reducing materials, and metallic and sulfur compounds.

Tert butyl hydrogen peroxide decomposes under the catalysis of metal ions to form other alkoxy and peroxy radicals, thereby generating reactive oxygen species including hydrogen peroxide.
This accelerates the chain reaction of lipid peroxidation, leading to DNA damage, cytotoxicity, and alterations in intracellular calcium homeostasis, ultimately causing cellular injury and apoptosis.
In scientific research, Tert butyl hydrogen peroxide is frequently employed to induce pharmacological oxidative stress responses and establish an oxidative stress model in cell cultures.

Tert butyl hydrogen peroxide is used for dyeing and printing of cotton, viscose, silk, cotton and other fibers and their fabrics, and also for dyeing of polyester / viscose blended fabrics
Tert butyl hydrogen peroxide is used as desiccant, polymerization initiator and organic synthesis intermediate of unsaturated melamine resin coating.

Tert butyl hydrogen peroxide is used as catalyst for polymerization.
Tert butyl hydrogen peroxide is used as a chemical intermediate, a curing agent for polyesters, and a catalyst for polymerization.

Tert butyl hydrogen peroxide is also used for bleaching and deodorizing.
A polymerization initiator used to produce specialty chemicals in closed systems.
Industrially, Tert butyl hydrogen peroxide is used to prepare propylene oxide.

In the Halcon process, molybdenum-based catalysts are used for this reaction:
(CH3)3COOH + CH2=CHCH3 → (CH3)3COH + CH2OCHCH3

The byproduct t-butanol can be dehydrated to isobutene and converted to MTBE.
On a much smaller scale, Tert butyl hydrogen peroxide is used to produce some fine chemicals by the Sharpless epoxidation.

Industry Uses:
Plasticizer
Catalyst
Hardener
Intermediate
Oxidizing agent
Solvent
CBI
Chemical reaction regulator
Plating agent
Fuel agents

Consumer Uses:
Catalyst
Not Known or Reasonably Ascertainable
Hardener
Oxidizing agent
Fuel agents

Chemical Properties of Tert Butyl Hydrogen Peroxide:
Tert butyl hydrogen peroxide is a water-white liquid commonly commercially available as a 70% solution in water; 80% solutions are also available.
Tert butyl hydrogen peroxide is used to initiate polymerization reactions and in organic syntheses to introduce peroxy groups into the molecule.

Synthesis and production
Many synthetic routes are available, e.g. by the auto-oxidation of isobutane.

Stability and Reactivity of Tert Butyl Hydrogen Peroxide:

Chemical Stability:
Stable under recommended storage conditions, but may undergo accelerated decomposition when exposed to excessive heat.

Reactivity:
Strong oxidizing organic peroxide that can react vigorously with combustible materials, reducing agents, metals, acids, and other incompatible substances.

Conditions to Avoid:
Avoid heat, sparks, flames, contamination, static discharge, and temperatures above recommended storage limits.

Incompatible Materials:
Keep away from combustible materials, reducing agents, strong acids, strong bases, metals, and easily oxidized substances.

Handling and Storage of Tert Butyl Hydrogen Peroxide:

Safe Handling:
Avoid breathing vapors or mist and prevent contact with skin, eyes, and clothing.
Use adequate ventilation and non-sparking equipment.

Storage Conditions:
Keep tightly closed in a cool, dry, well-ventilated area away from ignition sources and combustible materials.
For a common 70% aqueous grade, refrigerated storage at 2–8°C is recommended; do not freeze.

First Aid Measures of Tert Butyl Hydrogen Peroxide:

Inhalation:
Move the affected person to fresh air and obtain immediate medical attention.

Skin Contact:
Remove contaminated clothing and rinse skin immediately with plenty of water.

Eye Contact:
Rinse cautiously with plenty of water for at least 15 minutes and seek immediate medical attention.

Ingestion:
Rinse mouth, do not induce vomiting, and obtain immediate medical assistance.

Firefighting Measures of Tert Butyl Hydrogen Peroxide:

Suitable Extinguishing Media:
Use water mist, alcohol-resistant foam, dry chemical, carbon dioxide, or dry sand as appropriate.

Specific Measures:
Cool exposed containers with water spray and keep combustible materials away.

Protective Equipment:
Firefighters should wear full protective equipment and self-contained breathing apparatus.

Accidental Release Measures of Tert Butyl Hydrogen Peroxide:

Personal Precautions:
Evacuate unnecessary personnel, ensure adequate ventilation, eliminate ignition sources, and use suitable protective equipment.

Cleanup Methods:
Absorb with an inert material and collect using non-sparking tools into suitable containers.
Prevent entry into drains and surface waters.

Exposure Controls/Personal Protective of Tert Butyl Hydrogen Peroxide:

Ventilation:
Use effective local exhaust ventilation or a chemical fume hood.

Eye Protection:
Wear tightly fitting chemical safety goggles and preferably a face shield.

Hand Protection:
Wear chemically resistant protective gloves.

Skin Protection:
Wear suitable chemical-resistant protective clothing.

Respiratory Protection:
Use suitable respiratory protection when ventilation is insufficient or vapors/mists may be generated.

Identifiers of Tert Butyl Hydrogen Peroxide:
Chemical Name: Tert butyl hydrogen peroxide
IUPAC Name: 2-Methylpropane-2-peroxol
CAS Number: 75-91-2
EC Number: 200-915-7
Molecular Formula: C4H10O2
Molecular Weight: 90.12 g/mol
Chemical Family: Organic peroxides
UN Number: UN 3109 / UN 3115

CAS: 75-91-2
Molecular Formula: C4H10O2
Molecular Weight (g/mol): 90.122
MDL Number: MFCD00002130
InChI Key: CIHOLLKRGTVIJN-UHFFFAOYSA-N
PubChem CID: 6410
ChEBI CHEBI:64090
IUPAC Name: 2-hydroperoxy-2-methylpropane
SMILES: CC(C)(C)OO

CAS Number: 75-91-2
Abbreviations: TBHP
Beilstein Reference: 1098280
ChEMBL: ChEMBL348399
ChemSpider: 6170
ECHA InfoCard: 100.000.833
EC Number: 200-915-7
MeSH: tert-Butylhydroperoxide
PubChem CID: 6410
RTECS number: EQ4900000
UNII: 955VYL842B
UN number: 3109
CompTox Dashboard (EPA): DTXSID9024693
InChI: InChI=1S/C4H10O2/c1-4(2,3)6-5/h5H,1-3H3
Key: CIHOLLKRGTVIJN-UHFFFAOYSA-N
SMILES: CC(C)(C)OO

Product Number: B3153
Molecular Formula / Molecular Weight: C4H10O2 = 90.12
Physical State (20 deg.C): Liquid
Storage Temperature : Refrigerated (0-10°C)
Condition to Avoid: Heat Sensitive
CAS RN: 75-91-2
Reaxys Registry Number: 1098280
PubChem Substance ID: 87560345
Merck Index (14): 1570
MDL Number: MFCD00002130

Linear Formula: (CH3)3COOH
CAS Number: 75-91-2
Molecular Weight: 90.12
UNSPSC Code: 12162002
NACRES: NA.23
PubChem Substance ID: 24869433
MDL number: MFCD00002130
Beilstein/REAXYS Number: 1098280

CAS No.: 75-91-2
Chemical Name: Tert butyl hydrogen peroxide
CBNumber: CB3854248
Molecular Formula: C4H10O2
Molecular Weight: 90.12
MDL Number: MFCD00002130

Chemical Name: Tert butyl hydrogen peroxide
CAS: 75-91-2
Molecular Formula: C4H10O2
Molecular Weight: 90.12

Properties of Tert Butyl Hydrogen Peroxide:
Chemical formula: C4H10O2
Molar mass: 90.122 g·mol−1
Appearance: Colorless liquid
Density: 0.935 g/mL
Melting point: −3 °C (27 °F; 270 K)
Boiling point: 37 °C (99 °F; 310 K) at 2.0 kPa
Solubility in water: miscible
log P: 1.23
Acidity (pKa): 12.69
Basicity (pKb): 1.31
Refractive index (nD): 1.3870

Appearance: Colorless to pale yellow liquid
Odor: Characteristic, slightly pungent odor
Physical State: Liquid
Molecular Formula: C4H10O2
Molecular Weight: 90.12 g/mol
Density: Approximately 0.93–0.94 g/cm³

Molecular Weight: 90.12 g/mol
XLogP3-AA: 0.6
Hydrogen Bond Donor Count: 1
Hydrogen Bond Acceptor Count: 2
Rotatable Bond Count: 1
Exact Mass: 90.068079557 Da
Monoisotopic Mass: 90.068079557 Da
Topological Polar Surface Area: 29.5 Å²
Heavy Atom Count: 6
Complexity: 35.3
Isotope Atom Count: 0
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Covalently-Bonded Unit Count: 1
Compound Is Canonicalized: Yes

Melting point: -2.8 °C
Boiling point: 37 °C (15 mmHg)
Density: 0.937 g/mL at 20 °C
vapor pressure: 62 mmHg at 45 °C
refractive index: n20/D 1.403
Flash point: 85 °F
storage temp.: 2-8°C
pka: pK1: 12.80 (25°C)
form: Liquid
color: Clear colorless
PH: 4.3
Water Solubility: Miscible
Merck: 14,1570
BRN: 1098280

form: liquid
Quality Segment: 200
reaction suitability: reaction type: C-H Activation, reagent type: catalyst, reagent type: oxidant
concentration: 70 wt. % in H2O, 12.07-12.43% (active oxygen), 68.0-70.0% (Na2S2O3, titration)
refractive index: n20/D 1.386
pH: 4.3
bp: 96.2 °C
density: 0.93 g/mL at 25 °C
storage temp.: 2-8°C
SMILES string: CC(C)(C)OO
InChI: 1S/C4H10O2/c1-4(2,3)6-5/h5H,1-3H3
InChI key: CIHOLLKRGTVIJN-UHFFFAOYSA-N

Melting Point: -3 °C
Boiling Point: 89 °C
Flash point: 43 °C
Specific Gravity (20/20): 0.94
Refractive Index: 1.39
Solubility in water: Soluble

Specifications of Tert Butyl Hydrogen Peroxide:
Appearance: Colorless to Almost colorless clear liquid
Concentration(Iodometric titration): 65.0 to 71.0 w/w%
NMR: confirm to structure

Thermochemistry of Tert Butyl Hydrogen Peroxide:
Std enthalpy of formation (ΔfH⦵298): −294±5 kJ/mol
Std enthalpy of combustion (ΔcH⦵298): 2.710±0.005 MJ/mol

Names of Tert Butyl Hydrogen Peroxide:

Preferred IUPAC name:
2-Methylpropane-2-peroxol

Systematic IUPAC name:
Tert butyl hydrogen peroxide