叔丁基过氧异丙基甲酸酯 | 2372-21-6

• 物质功能分类: 化学试剂 - 有机试剂 - 酯类
• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机碳酸及其衍生物
• 中文名称: 叔丁基过氧异丙基甲酸酯
• 中文别名: 过氧碳酸-O,O-叔丁基-O-异丙基酯；叔丁过氧化碳酸异丙酯
• 英文名称: OO-tert-butyl O-isopropyl monoperoxycarbonate
• 英文别名: percarbonate de O,O-t-butyle et O-i-propyle；OO-tert-butyl ispropyl peroxycarbonate；t-butylperoxy isopropyl monocarbonate；tert-butyl-isopropoxycarbonyl peroxide；Monoperoxokohlensaeure-O-O-tert-butylester-O-isopropylester；tert-Butyl-isopropoxycarbonyl-peroxid；Carbonoperoxoic acid, OO-(1,1-dimethylethyl) O-(1-methylethyl) ester；(2-methylpropan-2-yl)oxy propan-2-yl carbonate
• CAS: 2372-21-6
• 化学式: C₈H₁₆O₄
• 分子量: 176.213
• InChiKey: KDGNCLDCOVTOCS-UHFFFAOYSA-N

物化性质

• 熔点：
  -20 °C
• 沸点：
  170.8±23.0 °C(Predicted)
• 密度：
  0.905
• 闪点：
  47 °C
• LogP：
  2.5 at 30℃
• 物理描述：
  Sensitive to heat. Must be stored with stringent maintenance of low temperature.
• 稳定性/保质期：
  危险的自加速分解反应，在某些情况下，爆炸或火灾可能是由于直接接触不相容物质或热分解及以上的自加速分解温度。 避免与不相容材料、火源接触。避免机械冲击和摩擦。 该物质可能与还原剂、酸、碱、铁锈、重金属发生反应。

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  12
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  44.8
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 危险等级：
  5.2
• 危险品标志：
  O,E,Xi,T
• 安全说明：
  S14,S14A,S26,S3/7,S35,S36/37/39,S45,S53,S62
• 危险类别码：
  R7
• 海关编码：
  2918300090
• 包装等级：
  II
• 危险类别：
  5.2
• 危险品运输编号：
  UN 3103
• 储存条件：
  密封储存于阴凉、干燥的库房中，远离火源和易燃易爆区域，尤其是还原剂。应进行冷藏保存。

SDS

Name:	tert-Butylperoxy isopropyl carbonate 75% solution in aromatic free Material Safety Data Sheet
Synonym:	Trigonox BPIC
CAS:	2372-21-6

Section 1 - Chemical Product MSDS Name:tert-Butylperoxy isopropyl carbonate 75% solution in aromatic free Material Safety Data Sheet
Synonym:Trigonox BPIC

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
2372-21-6	tert-Butylperoxy isopropyl carbonate	75.0%	219-143-7

Hazard Symbols: XI E
Risk Phrases: 10 2 36 7

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Flammable. Risk of explosion by shock, friction, fire or other sources of ignition. Irritating to eyes. May cause fire.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Non-irritating to the skin. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
May cause respiratory tract irritation. May be harmful if inhaled.
Chronic:
No information found.

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Section 4 - FIRST AID MEASURES
Eyes: Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Do not induce vomiting. If victim is conscious and alert, give 2-4 cupfuls of milk or water. Get medical aid. Wash mouth out with water.
Inhalation:
Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Notes to Physician:
Treat symptomatically and supportively.

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Section 5 - FIRE FIGHTING MEASURES
General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. Vapors can travel to a source of ignition and flash back. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Will burn if involved in a fire. This material is an explosion hazard when exposed to heat, mechanical shock, or friction. Flammable liquid and vapor.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or chemical foam.

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Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container. Avoid runoff into storm sewers and ditches which lead to waterways. Remove all sources of ignition. Use a spark-proof tool. Provide ventilation.

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Section 7 - HANDLING and STORAGE
Handling:
Ground and bond containers when transferring material. Use spark-proof tools and explosion proof equipment. Avoid contact with eyes, skin, and clothing. Empty containers retain product residue, (liquid and/or vapor), and can be dangerous. Avoid mechanical shock and friction. Do not pressurize, cut, weld, braze, solder, drill, grind, or expose empty containers to heat, sparks or open flames.
Use only with adequate ventilation. Keep away from heat, sparks and flame. Avoid breathing vapor or mist.
Storage:
Keep away from sources of ignition. Keep refrigerated. (Store below 4C/39F.) Store in a tightly closed container. Keep away from reducing agents.

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Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate general or local explosion-proof ventilation to keep airborne levels to acceptable levels.
Exposure Limits CAS# 2372-21-6: CAS# 8030-30-6: United States OSHA: 100 ppm TWA; 400 mg/m3 TWA Malaysia: 400 ppm TWA; 1590 mg/m3 TWA Russia: 100 mg/m3 TWA CAS# 31807-55-3: Personal Protective Equipment Eyes: Wear chemical splash goggles and face shield.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.

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Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Liquid
Color: clear
Odor: faint odor
pH: Not available.
Vapor Pressure: Not available.
Viscosity: 2.3 mPa.s @ 20 deg
Boiling Point: Not available.
Freezing/Melting Point: -20 deg C
Autoignition Temperature: > 380 deg C (> 716.00 deg F)
Flash Point: 47 deg C ( 116.60 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water: Immiscible.
Specific Gravity/Density: 0.905
Molecular Formula: C8H16O4
Molecular Weight: 176.21

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
A dangerous self-accelerating decomposition reaction and, under certain circumstances, explosion or fire can be caused by direct contact with incompatible substances or by thermal decomposition at and above the SADT (see Section 16).
Conditions to Avoid:
Mechanical shock, light, ignition sources, excess heat, friction.
Incompatibilities with Other Materials:
Strong oxidizing agents, reducing agents, acids, bases, rust, heavy metals.
Hazardous Decomposition Products:
Carbon monoxide, carbon dioxide, acetone, methane.
Hazardous Polymerization: Will not occur.

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 2372-21-6 unlisted.
CAS# 8030-30-6: DE3030000 CAS# 31807-55-3 unlisted.
LD50/LC50:
Not available.
CAS# 8030-30-6: Draize test, rabbit, eye: 100 uL Mild; Draize test, rabbit, skin: 500 uL Moderate; Oral, rat: LD50 = >5 gm/kg; Skin, rabbit: LD50 = >3 gm/kg.
CAS# 31807-55-3.
Carcinogenicity:
tert-Butylperoxy isopropyl carbonate - Not listed by ACGIH, IARC, or NTP.
Mineral spirits - Not listed by ACGIH, IARC, or NTP.
Isododecane - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.

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Section 12 - ECOLOGICAL INFORMATION

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Section 13 - DISPOSAL CONSIDERATIONS
Dispose of in a manner consistent with federal, state, and local regulations.

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Section 14 - TRANSPORT INFORMATION

IATA
Shipping Name: ORGANIC PEROXIDE TYPE C, LIQUID
Hazard Class: 5.2
UN Number: 3103
Packing Group: II
IMO
Shipping Name: ORGANIC PEROXIDE TYPE C, LIQUID
Hazard Class: 5.2
UN Number: 3103
Packing Group: II
RID/ADR
Shipping Name: ORGANIC PEROXIDE TYPE C, LIQUID
Hazard Class: 5.2
UN Number: 3103
Packing group: II

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XI E
Risk Phrases:
R 10 Flammable.
R 2 Risk of explosion by shock, friction, fire or
other sources of ignition.
R 36 Irritating to eyes.
R 7 May cause fire.
Safety Phrases:
S 3/7 Keep container tightly closed in a cool,
well-ventilated place.
S 14A Keep away from acids, reducing agents and
polymerisation catalysts.
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 35 This material and its container must be
disposed of in a safe way.
S 36/37/39 Wear suitable protective clothing, gloves
and eye/face protection.
WGK (Water Danger/Protection)
CAS# 2372-21-6: No information available.
CAS# 8030-30-6: 2
CAS# 31807-55-3: 1
Canada
CAS# 2372-21-6 is listed on Canada's DSL List.
CAS# 8030-30-6 is listed on Canada's DSL List.
CAS# 31807-55-3 is listed on Canada's NDSL List.
CAS# 2372-21-6 is not listed on Canada's Ingredient Disclosure List.
CAS# 8030-30-6 is not listed on Canada's Ingredient Disclosure List.
CAS# 31807-55-3 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 2372-21-6 is listed on the TSCA inventory.
CAS# 8030-30-6 is listed on the TSCA inventory.
CAS# 31807-55-3 is listed on the TSCA inventory.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

制备方法与用途

用途：聚合引发剂的集合。

反应信息

• 作为反应物：
  描述：

  叔丁基过氧异丙基甲酸酯 、 4-叔丁基苯乙烯 在 iron(III) trifluoromethanesulfonate 作用下， 以 1,4-二氧六环 为溶剂， 反应 12.0h， 以83%的产率得到1-(tert-butyl)-4-(prop-1-en-1-yl)benzene
  参考文献：
  名称：

  铁催化乙烯基芳烃的甲基化和乙基化†

  摘要：

  短烷基链Heck（类型）反应，尤其是甲基Heck反应，是烷基Heck反应的一个困难方面。为了解决该问题，使用容易获得的烷基过氧化物作为烷基源，开发了铁催化的甲基，乙基和丙基Heck反应。反应条件温和，清洁且易于处理。无需添加剂，也不会产生危险废物。在大多数情况下，获得的一种异构体的收率高达99％。该反应适用于多种类型的烯烃，并能耐受各种官能团。进行了天然产物和药物分子的几个后期功能化，以证明该反应的合成应用。

  DOI：

  10.1039/c6sc04274k
• 作为产物：
  描述：

  叔丁基过氧化氢 、 氯甲酸异丙酯 在 氢氧化钾 作用下， 以 水 为溶剂， 以84%的产率得到叔丁基过氧异丙基甲酸酯
  参考文献：
  名称：

  METHOD FOR THE PRODUCTION OF ORGANIC PEROXIDES BY MEANS OF A MICROREACTION TECHNIQUE

  摘要：

  这项发明提供了一种通过至少一个静态微混合器和执行该过程的装置，高效可靠地制备有机过氧化物，优选地为二烷基过氧化物、过氧化羧酸、过氧化羧酸酯、二酰过氧化物、过氧化碳酸酯、过氧二碳酸酯、酮过氧化物和过氧化物的过氧醚的方法。

  公开号：

  US20090043122A1
• 作为试剂：
  描述：

  全氟己基碘烷 、 双(乙烯基)碳酸酯 在 叔丁基过氧异丙基甲酸酯 作用下， 反应 6.0h， 生成 4-Iodo-5-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-1,3-dioxolan-2-one
  参考文献：
  名称：

  NOVEL FLUORINATED UNSATURATED CYCLIC CARBONATE AND PROCESS FOR PRODUCING SAME

  摘要：

  一种含有氟化烷基基团的不饱和环状碳酸酯，其化学式如下所示：其中Rf为C1-C8的氟化烷基基团。

  公开号：

  US20180346437A1

文献信息

• Process for synthesizing selected organic peroxides
  申请人：ARKEMA FRANCE

  公开号：EP1852418A1

  公开（公告）日：2007-11-07

  The present invention relates to a process for the continuous preparation of selected organic peroxides using plate exchangers having a high heat exchange capacity.

  本发明涉及一种利用具有高热交换能力的板式换热器连续制备选定有机过氧化物的方法。
• Method for Controlled Free Radical Polymerization or Copolymerization of Methacrylic and/or Methacrylate Monomers or Exclusively Methacrylic and/or Methacrylate Copolymers
  申请人：Couturier Jean-Luc

  公开号：US20080274074A1

  公开（公告）日：2008-11-06

  The invention relates to a method for the polymerization of one or more methacrylate and/or methacrylic monomers, for the synthesis of methacrylate or methacrylic polymers or of exclusively methacrylic and/or methacrylate copolymers, comprising a step of bringing said monomer(s) into contact with one at least of the compounds of formula (I) and (II) below: in which: R 1 and R 2 may represent a phenyl group, R 3 and R 4 may together form an ═N-phenyl group, Z represents a group of formula —CR 8 R 9 R 10 , in which R 8 and R 9 may represent methyl groups and R 10 may represent a —COO-phenyl group.

  本发明涉及一种合成甲基丙烯酸甲酯或甲基丙烯酸聚合物或仅为甲基丙烯酸和/或甲基丙烯酸酯共聚物的聚合物的聚合方法，包括将上述单体与以下式(I)和(II)化合物之一中的至少一种接触的步骤：式中：R1和R2可以表示苯基，R3和R4可以共同形成═N-苯基，Z表示式—CR8R9R10的基团，其中R8和R9可以表示甲基基团，而R10可以表示—COO-苯基基团。
• Foamable compositions
  申请人：HENKEL LOCTITE CORPORATION

  公开号：US20040063800A1

  公开（公告）日：2004-04-01

  This invention relates to latent foamable compositions for use in or as adhesives, sealants and/or coatings. The compositions include a curable component or a thermoplastic component, together with a latent foaming agent. In curable versions of the inventive compositions, a cure initiator or catalyst may also be included.

  本发明涉及用于粘合剂、密封剂和/或涂料的潜伏性发泡组合物。该组合物包括可固化组分或热塑性组分，以及潜伏性发泡剂。在本发明组合物的可固化版本中，还可以包括固化引发剂或催化剂。
• A gas-realising composition for tailoring gas evolution of system
  申请人：PENNWALT CORPORATION

  公开号：EP0219595A2

  公开（公告）日：1987-04-29

  A gas-releasing composition of a t-alkylhydrazinium salt and/or a carbonylhydrazine and at least one compound selected from free radical forming sources, metal oxides,and sulfur and/or sulfur donor compounds wherein when sulfur and/or a sulfur donor compound is used, the composition will also contain one or more members selected from sulfur accelerators, metal oxides, and amino-alcohols. This novel gas-releasing composition permits the selectively tailoring of the gas evolution of a system in order to meet a wide range of specific application areas polymer characteristics and conditions over a wide temperature range.

  一种由 t-烷基肼盐和/或羰基肼以及至少一种选自自由基形成源、金属氧化物、硫和/或硫供体化合物的化合物组成的气体释放组合物，其中当使用硫和/或硫供体化合物时，该组合物还将包含一种或多种选自硫促进剂、金属氧化物和氨基醇的成分。这种新型气体释放组合物允许有选择地调整系统的气体演化，以满足宽温度范围内各种特定应用领域的聚合物特性和条件。
• Transparentes Polymermaterial
  申请人：HOECHST AKTIENGESELLSCHAFT

  公开号：EP0267459A1

  公开（公告）日：1988-05-18

  Ein transparentes Material mit sehr guter Wärmestandfestigkeit und sehr guter Lichtleitfähigkeit besteht im wesentlichen aus einem Polymer, welches sich vorwiegend von Bromphenylacrylaten oder Bromphenylmethacrylaten ableitet.

  一种具有非常好的耐热性和非常好的导光性的透明材料主要由溴苯丙烯酸酯或溴苯甲基丙烯酸酯的聚合物组成。

表征谱图