Di-tert-butyl peroxide, also known as di-tert-butyl peroxide, is an organic compound with a chemical formula of C8H18O2, a colorless liquid, miscible with organic solvents such as benzene and petroleum ether, insoluble in water, mainly used as a synthetic resin initiator, photopolymerization sensitizer, rubber vulcanizing agent, diesel ignition accelerator, and also used in organic synthesis.
Alias: di-tert-butyl peroxide, initiator A
Chemical Formula: C8H18O2
Molecular Weight: 146.227
CAS:110-05-4
EINECS:203-733-6
Melting Point: -30 °C
Boiling Point: 109 to 110 °C
Water solubility: insoluble
Density:0.794 g/cm³
Appearance: colorless liquid
Flash point: 18 °C
Safety description:S3/7；S14；S16；S36/37/39
Hazard Symbol: F
Hazard description: R7; R11
Physicochemical properties
Density：0.794g/cm3
Melting Point: -30°C
Boiling Point: 109-110 °C
Flash Point: 18 °C
Refractive index: 1.3891 (20°C)
Vapor pressure：27.3mmHg at 25°C
Appearance: Colorless liquid
Solubility: It can be miscible with organic solvents such as benzene and petroleum ether, and is insoluble in water
Molecular structure data
Molar refractive index: 42.53
Molar volume（cm3/mol）：173.4
Isotonic specific volume（90.2K）：379.9
Surface Tension（dyne/cm）：23.0
Polarizability（10-24cm3）：16.86
Computational chemistry data
Hydrophobic parameter calculation reference value (XlogP): 2.1
Number of hydrogen bond donors: 0
Number of hydrogen bond receptors: 2
Number of Rotatable Chemical Bonds: 3
Number of tautomers: 0
Topological molecular polar surface area: 18.5
Number of heavy atoms: 10
Surface charge: 0
Complexity: 80.8
Number of isotope atoms: 0
Determine the number of atomic stereocenters: 0
Number of indeterminate atomic stereocenters: 0
Determine the number of chemical bond stereocenters: 0
Number of indeterminate chemical bond stereocenters: 0
Number of covalent bond units: 1
Storage:
Store in a cool, ventilated warehouse. Keep away from fire and heat sources. Protect from direct sunlight. The storage temperature should not exceed 30 °C. Keep the container tightly sealed. It should be stored separately from reducing agents and alkalis, and should not be mixed. Explosion-proof lighting and ventilation facilities are adopted. It is forbidden to use mechanical equipment and tools that are prone to sparks. The storage area should be equipped with emergency response equipment for spills and suitable containment materials. Vibration, impact and friction are prohibited.
First aid measures
Skin-to-skin contact: Remove and isolate contaminated clothing and shoes. Immediately wipe the substance off the skin. Take care that the person is warm and quiet. Ensure that medical personnel are aware of the personal protection related to the substance and pay attention to their own protection.
Eye contact: If the skin or eyes come into contact with the substance, it should be immediately rinsed with water for at least 20min.
Inhalation: Move the patient to fresh air and seek medical attention. If the person stops breathing, rescue breaths are given. If you have difficulty breathing, give oxygen.
Fire protection measures
Hazardous characteristics: strong oxidizing agent, easily reacts with many other substances. Unstable and dangerous peroxides can form when stored. Explosion can occur when exposed to heat, friction or contact with reducing agents, thiocyanates, organics, combustibles, or contamination. Protect the container from vibration, heat and friction. It can cause static electricity to build up and ignite its vapors.
Fire extinguishing method: can contribute to the fire; It can burn quickly and has a flash burning effect. Vapor is heavier than air and tends to accumulate at low levels. Vapors in an enclosed area can explode in case of fire. Storage containers and their parts can fly far in all directions. If the substance or contaminated fluid enters the waterway, notify downstream users of potential water contamination, local sanitation, fire officials, and pollution control departments. Use dry powder, foam, carbon dioxide, and plenty of water to extinguish the fire. Use mist water to cool the container. Clothes contaminated with this product may catch fire, rinse immediately with water.
Safety Information
Security terminology
S3/7：Keep container tightly closed in a cool place.
S14：Keep away from ... (incompatible materials to be indicated by the manufacturer).
S16：Keep away from sources of ignition - No smoking.
S36/37/39：Wear suitable protective clothing, gloves and eye/face protection.
Risk terminology
R7：May cause fire.
R11：Highly flammable.