Di-tert-butyl peroxide manufacturers,suppliers,buy Di-tert-butyl peroxide on guidechem

【Name】: Di-tert-butyl peroxide

【Iupac name】: 2-tert-butylperoxy-2-methylpropane

【Registry number】: 110-05-4 (CAS DataBase Reference)

【Synonyms】: tert-Butyl peroxide
Dibutylperoxide
DTBP
Trigonox?B

【EINECS(EC#)】: 203-733-6

【Molecular Formula】: C8H18O2 (Products with the same molecular formula)

【Molecular Weight】: 146.23

【Inchi】: InChI=1/C8H18O2/c1-7(2,3)9-10-8(4,5)6/h1-6H3

【InChIKey】: LSXWFXONGKSEMY-UHFFFAOYSA-N

【Canonical SMILES】: CC(C)(C)OOC(C)(C)C

【MOL File】
110-05-4.mol

【Appearance】: colourless liquid

【Density】: 0.796

【Melting Point】: -30℃

【Boiling Point】: 109-110℃

【Vapour】: 27.3mmHg at 25°C

【Refractive Index】: 1.388-1.390

【Flash Point】: 34?

【Water】: immiscible

【Solubilities】: immiscible

【Color/Form】: CLEAR, WATER-WHITE LIQ
Yellow liquid.

【Stability】: May decompose explosively if heated, subjected to shock, or treated with reducing agents. Highly flammable. Refrigerate.

【Storage temp】: 2-8°C

【Spectral properties】: SADTLER REF NUMBER: 1333 (IR, PRISM)
Index of refraction: 1.3890 @ 20 deg C/D
IR: 5741 (Coblentz Society Spectral Collection)
NMR: 6690 (Sadtler Research Laboratories Spectral Collection)
MASS: 842 (Atlas of Mass Spectral Data, John Wiley & Sons, New York)

【Computed Properties】: Molecular Weight:146.22732 [g/mol]
Molecular Formula:C₈H₁₈O₂
XLogP3-AA:2.1
H-Bond Donor:0
H-Bond Acceptor:2
Rotatable Bond Count:3
Exact Mass:146.13068
MonoIsotopic Mass:146.13068
Topological Polar Surface Area:18.5
Heavy Atom Count:10
Formal Charge:0
Complexity:80.8
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
Feature 3D Hydrophobe Count:2
Effective Rotor Count:3
Conformer Sampling RMSD:0.6
CID Conformer Count:2

【Hazard Codes】: F:Flammable

【Risk Statements】: R11;R7

【Safety Statements 】: S14;S16;S3/7;S36/37/39

【HazardClass】: 5.2

【PackingGroup 】: II

【Skin, Eye, and Respiratory Irritations】: The main ... effect is irritation of skin, mucous membranes, and eyes. /Peroxides, organic/

【Transport】: UN 3107

【Fire Fighting Procedures】: FLAMMABLE, DANGEROUS FIRE HAZARD.
ALTHOUGH FLASHPOINTS OF MOST ORG PEROXIDES ARE NOT EXCEPTIONALLY LOW, WHEN IGNITED THEY BURN MORE FURIOUSLY THAN CORRESPONDING FLAMMABLE LIQ NOT CONTAINING THE PEROXY LINKAGE. ORG PEROXIDES CONTAIN SUFFICIENT AVAILABLE OXYGEN TO SUPPORT THEIR OWN COMBUSTION IN ... ABSENCE OF ATMOSPHERIC OXYGEN. /PEROXIDES, ORG/
Dangerous fire hazard by chemical reaction with reducing agents or exposure to heat. /Organic peroxides/

【Fire Potential】: FLAMMABLE, DANGEROUS FIRE HAZARD.
ALTHOUGH FLASHPOINTS OF MOST ORG PEROXIDES ARE NOT EXCEPTIONALLY LOW, WHEN IGNITED THEY BURN MORE FURIOUSLY THAN CORRESPONDING FLAMMABLE LIQ NOT CONTAINING THE PEROXY LINKAGE. ORG PEROXIDES CONTAIN SUFFICIENT AVAILABLE OXYGEN TO SUPPORT THEIR OWN COMBUSTION IN ... ABSENCE OF ATMOSPHERIC OXYGEN. /PEROXIDES, ORG/
Dangerous fire hazard by chemical reaction with reducing agents or exposure to heat. /Organic peroxides/

【Formulations/Preparations】: CADOX
CADOX TBP
TRIGONOX B

【DOT Emergency Guidelines】: /GUIDE 145: ORGANIC PEROXIDES (HEAT AND CONTAMINATION SENSITIVE)/ Fire or Explosion: May explode from heat or contamination. May ignite combustibles (wood, paper, oil, clothing, etc.). May be ignited by heat, sparks or flames. May burn rapidly with flare-burning effect. Containers may explode when heated. Runoff may create fire or explosion hazard. /Organic peroxide type E, liquid; Organic peroxide type F, liquid/
/GUIDE 145: ORGANIC PEROXIDES (HEAT AND CONTAMINATION SENSITIVE)/ Health: Fire may produce irritating, corrosive and/or toxic gases. Ingestion or contact (skin, eyes) with substance may cause severe injury or burns. Runoff from fire control or dilution water may cause pollution. /Organic peroxide type E, liquid; Organic peroxide type F, liquid/
/GUIDE 145: ORGANIC PEROXIDES (HEAT AND CONTAMINATION SENSITIVE)/ Public Safety: CALL Emergency Response Telephone Number ... . As an immediate precautionary measure, isolate spill or leak area in all directions for at least 50 meters (150 feet) for liquids and at least 25 meters (75 feet) for solids. Keep unauthorized personnel away. Stay upwind. Keep out of low areas. /Organic peroxide type E, liquid; Organic peroxide type F, liquid/
/GUIDE 145: ORGANIC PEROXIDES (HEAT AND CONTAMINATION SENSITIVE)/ Protective Clothing: Wear positive pressure self-contained breathing apparatus (SCBA). Wear chemical protective clothing that is specifically recommended by the manufacturer. It may provide little or no thermal protection. Structural firefighters' protective clothing will only provide limited protection. /Organic peroxide type E, liquid; Organic peroxide type F, liquid/
/GUIDE 145: ORGANIC PEROXIDES (HEAT AND CONTAMINATION SENSITIVE)/ Evacuation: Large spill: Consider initial evacuation for at least 250 meters (800 feet). Fire: If tank, rail car or tank truck is involved in a fire, ISOLATE for 800 meters (1/2 mile) in all directions; also, consider initial evacuation for 800 meters (1/2 mile) in all directions. /Organic peroxide type E, liquid; Organic peroxide type F, liquid/
/GUIDE 145: ORGANIC PEROXIDES (HEAT AND CONTAMINATION SENSITIVE)/ Fire: Small fires: Water spray or fog is preferred; if water not available use dry chemical, CO2, or regular foam. Large fires: Flood fire area with water from a distance. Use water spray or fog; do not use straight streams. Move containers from fire area if you can do it without risk. Do not move cargo or vehicle if cargo has been exposed to heat. Fight fire from maximum distance or use unmanned hose holders or monitor nozzles. Cool containers with flooding quantities of water until well after fire is out. ALWAYS stay away from tanks engulfed in fire. For massive fire, use unmanned hose holders or monitor nozzles; if this is impossible, withdraw from area and let fire burn. /Organic peroxide type E, liquid; Organic peroxide type F, liquid/
/GUIDE 145: ORGANIC PEROXIDES (HEAT AND CONTAMINATION SENSITIVE)/ Spill or Leak: ELIMINATE all ignition sources (no smoking, flares, sparks or flames in immediate area). Keep combustibles (wood, paper, oil, etc.) away from spilled material. Do not touch damaged containers or spilled material unless wearing appropriate protective clothing. Keep substance wet using water spray. Stop leak if you can do it without risk. Small spills: Take up with inert, damp, non-combustible material using clean non-sparking tools and place into loosely covered plastic containers for later disposal. Large spills: Wet down with water and dike for later disposal. Prevent entry into waterways, sewers, basements or confined areas. DO NOT CLEAN-UP OR DISPOSE OF, EXCEPT UNDER SUPERVISION OF A SPECIALIST. /Organic peroxide type E, liquid; Organic peroxide type F, liquid/
/GUIDE 145: ORGANIC PEROXIDES (HEAT AND CONTAMINATION SENSITIVE)/ First Aid: Move victim to fresh air. CALL 911 or emergency medical service. Give artificial respiration if victim is not breathing. Administer oxygen if breathing is difficult. Remove and isolate contaminated clothing and shoes. Contaminated clothing may be a fire risk when dry. Remove material from skin immediately. In case of contact with substance, immediately flush skin or eyes with running water for at least 20 minutes. Keep victim warm and quiet. Ensure that medical personnel are aware of the material(s) involved and take precautions to protect themselves. /Organic peroxide type E, liquid; Organic peroxide type F, liquid/

【Reactivities and Incompatibilities】: STRONG OXIDIZING AGENT; MAY IGNITE ORGANIC MATERIALS OR EXPLODE WHEN SHOCKED OR IN CONTACT WITH REDUCING MATERIALS.
Upon contact with reducing materials, such as organic matter or thiocyanates, an explosion can occur. /Organic peroxides/

【Other Preventative Measures】: SAFETY GUIDELINES FOR HANDLING, STORAGE, SPILLAGE, & DISPOSAL OF ORG PEROXIDES ARE DISCUSSED. TESTS FOR HAZARD RATINGS OF THESE PEROXIDES (USED AS CROSSLINKING AGENTS FOR POLYMERS) ARE DESCRIBED.
Process equip should be electrically bonded together and grounded. Non-sparking equip should be used for handling. Peroxides must never be mixed directly with accelerators or other reactive materials, added to hot materials or placed in heated reaction vessels. Contamination should be carefully avoided by keeping the work area and equip clean, handling peroxides in vessels of glass, polyethylene, teflon or stainless steel to prevent contamination by corrosion, keeping containers closed, and disposing of excess peroxide promptly, never returning it to the original container. Empty containers should be washed and destroyed. Wet or dilute formulations should not be allowed to separate or dry out. ... Emergency eyewash facilities should be provided. ... Smoking should be prohibited. Peroxides should not be stored in refrigerators containing food or drink. Lab reactions should be carried out behind a safety shield. ... handling areas should be protected from fire by a deluge system or sprinklers. /Peroxides, organic/
The safety of many organic peroxides is greatly improved by dispersing them in solvent or non-solvent diluents that absorb the heat of decompostion (eg water or plasticizer) or reduce shock sensitivity (eg dimethyl phthalate). /Peroxides, organic/

【Protective Equipment and Clothing】: ... STRONGLY RECOMMENDED THAT WORKMEN WEAR SAFETY GOGGLES, AN APRON, & RUBBER BOOTS. /ORG PEROXIDES/
Persons handling organic peroxides should use safety glasses with side shields ... face shields for eye pretection. ... Gloves ... and other protective clothing as necessary should be used to prevent skin contact. Clothing and equip that generate static electricity should be avoided. /Peroxides, organic/

【Specification】

The IUPAC name of?tert-Butyl peroxide is?2-tert-butylperoxy-2-methylpropane. With the?CAS registry number 110-05-4, it is?also named as?Bis(1,1-dimethylethyl)peroxide.?The product's categories are?Organics; Organic Peroxide; Oxidation; Synthetic Organic Chemistry.?It is colourless liquid?which is?miscible with?benzene, petroleum ether and other organic solvents, and?immiscible with water. This chemical may decompose explosively if heated, subjected to shock, or treated with reducing agents. When heated to decomposition it emits acrid smoke and fumes. Additionally, it should be sealed in the container and stored in cool,?ventilate and dry place.

The other characteristics of this product can be summarized as:?(1)ACD/LogP: 3.19; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.19; (4)ACD/LogD (pH 7.4): 3.19; (5)ACD/BCF (pH 5.5): 157.44; (6)ACD/BCF (pH 7.4): 157.44; (7)ACD/KOC (pH 5.5): 1301.07; (8)ACD/KOC (pH 7.4): 1301.07; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.405; (13)Molar Refractivity: 42.53 cm³; (14)Molar Volume: 173.4 cm³; (15)Surface Tension: 23 dyne/cm; (16)Enthalpy of Vaporization: 33.52 kJ/mol; (17)Vapour Pressure: 27.3 mmHg at 25°C; (18)Rotatable Bond Count: 3; (19)Exact Mass: 146.13068; (20)MonoIsotopic Mass: 146.13068; (21)Topological Polar Surface Area: 18.5; (22)Heavy Atom Count: 10; (23)Complexity: 80.8.

Preparation of tert-Butyl peroxide: It?can be obtained by the reaction of?tertiary butanol and?hydrogen peroxide in?concentrated sulfuric acid.

Uses of tert-Butyl peroxide:?It is widely used as crosslinking agent of unsaturated polyester resins and silicone rubber, polymerization initiator of monomer, polypropylene modifiers, vulcanization agent.?It also can react with?2-piperidino-acrylonitrile to get 2,3-bis-tert-butoxymethyl-2,3-di-piperidin-1-yl-succinonitrile.?This reaction needs solvent?benzene?at temperature of 20 °C. The yield is 64%.?

When you are using this chemical, please be cautious about it as the following:
It?is highly flammable?and may cause fire, so people should keep it away from sources of ignition.?If you want to contact this product, you must ear suitable protective clothing, gloves and eye/face protection.?

People can use the following data to convert to the molecule structure.
1. SMILES:O(OC(C)(C)C)C(C)(C)C
2.?InChI:InChI=1/C8H18O2/c1-7(2,3)9-10-8(4,5)6/h1-6H3

The following are the toxicity data which has been tested.

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LC50	inhalation	> 4103ppm/4H (4103ppm)	BEHAVIORAL: EXCITEMENT LUNGS, THORAX, OR RESPIRATION: DYSPNEA	American Industrial Hygiene Association Journal. Vol. 19, Pg. 205, 1958. ?
mouse	LD50	oral	4572mg/kg (4572mg/kg)	?	"Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 43, 1982.
rat	LC50	inhalation	> 4100ppm/4H (4100ppm)	?	ARCO Chemical Company Report. Vol. JUN1982,
rat	LD50	intraperitoneal	3210mg/kg (3210mg/kg)	BEHAVIORAL: MUSCLE WEAKNESS BEHAVIORAL: ATAXIA	American Industrial Hygiene Association Journal. Vol. 19, Pg. 205, 1958. ?
rat	LD50	oral	> 25gm/kg (25000mg/kg)	?	ARCO Chemical Company Report. Vol. JUN1982,

【Report】

The IUPAC name of?tert-Butyl peroxide is?2-tert-butylperoxy-2-methylpropane. With the?CAS registry number 110-05-4, it is?also named as?Bis(1,1-dimethylethyl)peroxide.?The product's categories are?Organics; Organic Peroxide; Oxidation; Synthetic Organic Chemistry.?It is colourless liquid?which is?miscible with?benzene, petroleum ether and other organic solvents, and?immiscible with water. This chemical may decompose explosively if heated, subjected to shock, or treated with reducing agents. When heated to decomposition it emits acrid smoke and fumes. Additionally, it should be sealed in the container and stored in cool,?ventilate and dry place.

The other characteristics of this product can be summarized as:?(1)ACD/LogP: 3.19; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.19; (4)ACD/LogD (pH 7.4): 3.19; (5)ACD/BCF (pH 5.5): 157.44; (6)ACD/BCF (pH 7.4): 157.44; (7)ACD/KOC (pH 5.5): 1301.07; (8)ACD/KOC (pH 7.4): 1301.07; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.405; (13)Molar Refractivity: 42.53 cm³; (14)Molar Volume: 173.4 cm³; (15)Surface Tension: 23 dyne/cm; (16)Enthalpy of Vaporization: 33.52 kJ/mol; (17)Vapour Pressure: 27.3 mmHg at 25°C; (18)Rotatable Bond Count: 3; (19)Exact Mass: 146.13068; (20)MonoIsotopic Mass: 146.13068; (21)Topological Polar Surface Area: 18.5; (22)Heavy Atom Count: 10; (23)Complexity: 80.8.

Preparation of tert-Butyl peroxide: It?can be obtained by the reaction of?tertiary butanol and?hydrogen peroxide in?concentrated sulfuric acid.

Uses of tert-Butyl peroxide:?It is widely used as crosslinking agent of unsaturated polyester resins and silicone rubber, polymerization initiator of monomer, polypropylene modifiers, vulcanization agent.?It also can react with?2-piperidino-acrylonitrile to get 2,3-bis-tert-butoxymethyl-2,3-di-piperidin-1-yl-succinonitrile.?This reaction needs solvent?benzene?at temperature of 20 °C. The yield is 64%.?

When you are using this chemical, please be cautious about it as the following:
It?is highly flammable?and may cause fire, so people should keep it away from sources of ignition.?If you want to contact this product, you must ear suitable protective clothing, gloves and eye/face protection.?

People can use the following data to convert to the molecule structure.
1. SMILES:O(OC(C)(C)C)C(C)(C)C
2.?InChI:InChI=1/C8H18O2/c1-7(2,3)9-10-8(4,5)6/h1-6H3

The following are the toxicity data which has been tested.

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LC50	inhalation	> 4103ppm/4H (4103ppm)	BEHAVIORAL: EXCITEMENT LUNGS, THORAX, OR RESPIRATION: DYSPNEA	American Industrial Hygiene Association Journal. Vol. 19, Pg. 205, 1958. ?
mouse	LD50	oral	4572mg/kg (4572mg/kg)	?	"Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 43, 1982.
rat	LC50	inhalation	> 4100ppm/4H (4100ppm)	?	ARCO Chemical Company Report. Vol. JUN1982,
rat	LD50	intraperitoneal	3210mg/kg (3210mg/kg)	BEHAVIORAL: MUSCLE WEAKNESS BEHAVIORAL: ATAXIA	American Industrial Hygiene Association Journal. Vol. 19, Pg. 205, 1958. ?
rat	LD50	oral	> 25gm/kg (25000mg/kg)	?	ARCO Chemical Company Report. Vol. JUN1982,

【Disposal Methods】: SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.
Spilled, contaminated waste or questionable peroxides should be destroyed. Incineration or burning is generally preferred. ... Most organic peroxides can also be hydrolyzed by adding them slowly with stirring to about ten times their wt of cold 10% sodium hydroxide soln. The reaction may require several hr. /Peroxides, organic/

【Use and Manufacturing】: Methods of Manufacturing

REACTION OF SULFATED T-BUTYL ALCOHOL OR ISOBUTYLENE WITH HYDROGEN PEROXIDE
t-Butyl hydroperoxide + isobutylene (peroxidation)
Synthesized from t-butyl hydroperoxide + t-butanol

U.S. Exports

(1978) ND
(1982) ND

U.S. Imports

(1978) ND
(1982) ND

U.S. Production

(1978) 1.22X10+9 G
(1982) 1.30X10+9 G
(1977): 2.01-20.1 million pounds.

【Biomedical Effects and Toxicity】: LIQUID PEROXIDES CAN BE ABSORBED THROUGH THE SKIN. /ORG PEROXIDES/

【Environmental Fate/Exposure Summary】: TERRESTRIAL FATE: Based on a recommended classification scheme(1), an estimated Koc value of 725(SRC), determined from a structure estimation method(2), indicates that bis(1,1-dimethylethyl)peroxide is expected to have moderate mobility in soil(SRC). Volatilization of bis(1,1-dimethylethyl)peroxide from moist soil surfaces is expected to be important(SRC) given an estimated Henry's Law constant of 0.012 atm-cu m/mole(SRC), using a fragment constant estimation method(3). The potential for volatilization of bis(1,1-dimethylethyl)peroxide from dry soil surfaces may exist based on an experimental vapor pressure of 25.1 mm Hg(4), calculated from experimentally derived coefficients(SRC). Biodegradation data for bis(1,1-dimethylethyl)peroxide is not available(SRC).
AQUATIC FATE: Based on a recommended classification scheme(1), an estimated Koc value of 72o(SRC), determined from a structure estimation method(2), indicates that bis(1,1-dimethylethyl)peroxide is expected to adsorb to suspended solids and sediment in water(SRC). Bis(1,1-dimethylethyl)peroxide is expected to volatilize from water surfaces(3,SRC) based on an estimated Henry's Law constant of 0.012 atm-cu m/mole(SRC), developed using a fragment constant estimation method(4). Estimated volatilization half-lives for a model river and model lake are 3.6 hours and 5 days, respectively(3,SRC). According to a classification scheme(5), an estimated BCF of 250(3,SRC), from an estimated log Kow(6,SRC), suggests that bioconcentration in aquatic organisms is high(SRC). Biodegradation data for bis(1,1-dimethylethyl)peroxide are not available(SRC).
ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), bis(1,1-dimethylethyl)peroxide, which has an experimental vapor pressure of 25.1 mm Hg at 25 deg C(2,SRC), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase bis(1,1-dimethylethyl)peroxide is degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals(SRC). Bis(1,1-dimethylethyl)peroxide absorbs light up to 340 nm(3) and photolyzes to form two t-butoxy radicals(3,4). The t-butoxy radical is unstable and decomposes to form acetone and methyl radicals. A host of other products result from free radical reactions including t-butanol, methyl t-butyl ether, isobutylene oxide, ethane, and methane(3,4).

Di-tert-butyl peroxide(CAS No. 110-05-4)

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