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Home > Encyclopedia > tert-Amyl peroxy-2-ethylhexanoate

tert-Amyl peroxy-2-ethylhexanoate

tert-Amyl peroxy-2-ethylhexanoate structure

tert-Amyl peroxy-2-ethylhexanoate 

structure
  • CAS No:

    686-31-7

  • Formula:

    C13H26O3

  • Chemical Name:

    tert-Amyl peroxy-2-ethylhexanoate

  • Synonyms:

    Hexaneperoxoic acid,2-ethyl-,1,1-dimethylpropyl ester;Peroxyhexanoic acid,2-ethyl-,tert-pentyl ester;tert-Pentyl alcohol,2-ethylperoxyhexanoate;Lupersol TA 75;Lupersol 575;tert-Amyl peroxy-2-ethylhexanoate;tert-Amyl 2-ethylperoxyhexanoate;tert-Amyl 2-ethylperhexanoate;tert-Pentyl peroxy-2-ethylhexanoate;Trigonox 121;Trigonox 121-50;Esperox 570;Trigonox 121C50;Trigonox 121LS50;Trigonox 121-50E;Luperox 575

  • Categories:

    Pharmaceutical Intermediates  >  Bulk Drug Intermediates

Description

Liquid


Tert-amyl peroxy-2-ethylhexanoate appears as colorless to pale yellow liquid. May explode if exposed to heat , shock, or friction. Material must be stored and transported in temperature controlled container. Insoluble in water.|Liquid


Tert-amyl peroxy-2-ethylhexanoate appears as colorless to pale yellow liquid. May explode if exposed to heat , shock, or friction. Material must be stored and transported in temperature controlled container. Insoluble in water.

tert-Amyl peroxy-2-ethylhexanoate Basic Attributes

230.34400

230.34

211-687-3

3115

Characteristics

35.53000

3.86620

Tert-amyl peroxy-2-ethylhexanoate appears as colorless to pale yellow liquid. May explode if exposed to heat , shock, or friction. Material must be stored and transported in temperature controlled container. Insoluble in water.

0.9075 g/cm3 @ Temp: 20 °C

-62ºC

68 °C @ Press: 0.5 Torr

1.435 (20ºC)

Store below 10ºC. Keep containers closed when not in use.

Insoluble in water.

Peroxides, Organic

Explosive

TERT-AMYL PEROXY-2-ETHYLHEXANOATExplodes with great violence when rapidly heated to a critical temperature; pure form is shock sensitive and detonable [Bretherick 1979 p. 602].

Safety Information

II

5.2

UN 2898

P210, P220, P234, P261, P272, P273, P280, P302+P352, P321, P333+P313, P363, P370+P378, P391, P403+P235, P411, P420, P501

H242

Excerpt from ERG Guide 148 [Organic Peroxides (Heat and Contamination Sensitive / Temperature Controlled)]: May explode from heat, contamination or loss of temperature control. These materials are particularly sensitive to temperature rises. Above a given "Control Temperature" they decompose violently and catch fire. May ignite combustibles (wood, paper, oil, clothing, etc.). May ignite spontaneously if exposed to air. 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)

|Warning|H242 (100%): Heating may cause a fire [Danger Self-reactive substances and mixtures; Organic peroxides]|P210, P220, P234, P261, P272, P273, P280, P302+P352, P321, P333+P313, P363, P370+P378, P391, P403+P235, P411, P420, and P501|Aggregated GHS information provided by 257 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Excerpt from ERG Guide 148 [Organic Peroxides (Heat and Contamination Sensitive / Temperature Controlled)]: The temperature of the substance must be maintained at or below the "Control Temperature" at all times. 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. BEWARE OF POSSIBLE CONTAINER EXPLOSION. 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 148 [Organic Peroxides (Heat and Contamination Sensitive / Temperature Controlled)]: 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 148 [Organic Peroxides (Heat and Contamination Sensitive / Temperature Controlled)]: 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 or walk through spilled material. 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: Dike far ahead of liquid spill 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 148 [Organic Peroxides (Heat and Contamination Sensitive / Temperature Controlled)]: 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 148 [Organic Peroxides (Heat and Contamination Sensitive / Temperature Controlled)]: 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 148 [Organic Peroxides (Heat and Contamination Sensitive / Temperature Controlled)]: 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)

tert-Amyl peroxy-2-ethylhexanoate Use and Manufacturing

Uses

Fillers


Plastic and rubber products not covered elsewhere

Production

1,000,000 - 10,000,000 lb

Adhesive manufacturing|Hexaneperoxoic acid, 2-ethyl-, 1,1-dimethylpropyl ester: ACTIVE

Computed Properties

Molecular Weight:230.34
XLogP3:4.5
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:9
Exact Mass:230.18819469
Monoisotopic Mass:230.18819469
Topological Polar Surface Area:35.5
Heavy Atom Count:16
Complexity:199
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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