1,1-Dimethylethyl 2-buteneperoxoate
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1,1-Dimethylethyl 2-buteneperoxoate
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CAS No:
23474-91-1
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Formula:
C8H14O3
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Chemical Name:
1,1-Dimethylethyl 2-buteneperoxoate
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Synonyms:
2-Buteneperoxoic acid,1,1-dimethylethyl ester;Peroxycrotonic acid,tert-butyl ester;1,1-Dimethylethyl 2-buteneperoxoate;tert-Butyl peroxycrotonate;tert-Butyl percrotonate;Esperox 13
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CAS No:
1,1-Dimethylethyl 2-buteneperoxoate Basic Attributes
158.19 g/mol
158.20
245-679-6
3103
DTXSID3066897
Characteristics
35.5 Ų
0.954 g/cm3 @ Temp: 20 °C
36 °C @ Press: 2 Torr
No rapid reaction with air. No rapid reaction with water.
Hydrocarbons, Aliphatic Unsaturated
Explosive
TERT-BUTYL PEROXYCROTONATE explodes with great violence when rapidly heated to a critical temperature; pure form is shock sensitive and detonable [Bretherick 1979 p. 602].
Safety Information
Excerpt from ERG Guide 146 [Organic Peroxides (Heat, Contamination and Friction Sensitive)]: May explode from heat, shock, friction 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. (ERG, 2016)
Excerpt from ERG Guide 146 [Organic Peroxides (Heat, Contamination and Friction Sensitive)]: SMALL FIRE: Water spray or fog is preferred; if water not available use dry chemical, CO2 or regular foam. LARGE FIRE: Flood fire area with water from a distance. Use water spray or fog; do not use straight streams. Do not move cargo or vehicle if cargo has been exposed to heat. Move containers from fire area if you can do it without risk. FIRE INVOLVING TANKS OR CAR/TRAILER LOADS: 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. (ERG, 2016)
Excerpt from ERG Guide 146 [Organic Peroxides (Heat, Contamination and Friction Sensitive)]: 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. LARGE SPILL: Consider initial evacuation for at least 250 meters (800 feet) in all directions. 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. (ERG, 2016)
Excerpt from ERG Guide 146 [Organic Peroxides (Heat, Contamination and Friction Sensitive)]: 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 SPILL: Pick up with inert, damp, non-combustible material using clean, non-sparking tools and place into loosely covered plastic containers for later disposal. LARGE SPILL: 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. (ERG, 2016)
Excerpt from ERG Guide 146 [Organic Peroxides (Heat, Contamination and Friction Sensitive)]: 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. (ERG, 2016)
Drug Information
Excerpt from ERG Guide 146 [Organic Peroxides (Heat, Contamination and Friction Sensitive)]: 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. (ERG, 2016)
Excerpt from ERG Guide 146 [Organic Peroxides (Heat, Contamination and Friction Sensitive)]: Ensure that medical personnel are aware of the material(s) involved and take precautions to protect themselves. 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 calm and warm. (ERG, 2016)
1,1-Dimethylethyl 2-buteneperoxoate Use and Manufacturing
2-Buteneperoxoic acid, 1,1-dimethylethyl ester: INACTIVE
Computed Properties
Molecular Weight:158.19
XLogP3:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:158.094294304
Monoisotopic Mass:158.094294304
Topological Polar Surface Area:35.5
Heavy Atom Count:11
Complexity:153
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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