叔丁基过氧异丙基甲酸酯

叔丁基过氧异丙基甲酸酯 基本信息
CAS号 2372-21-6 分子式 C8H16O4
分子量 176.21000 精确质量  176.10500
PSA  44.76000 LogP  2.27810

基本信息 展开↓

CAS号:
2372-21-6
3D弹球模型:
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分子式:
C8H16O4
分子量:
176.21000
中文名称:
叔丁基过氧异丙基甲酸酯
英文名称:
(2-methylpropan-2-yl)oxy propan-2-yl carbonate
中文别名:
叔丁基过氧异丙基甲酸酯;
叔丁过氧化碳酸异丙酯;
过氧碳酸-O,O-叔丁基-O-异丙基酯
英文别名:
(2-methylpropan-2-yl)oxy propan-2-yl carbonate;
percarbonate de O,O-t-butyle et O-i-propyle;
tert.-Butylperoxyameisensaeure-isopropylester;
Peroxycarbonic acid,oo-tert-butyl isopropyl ester;
tert-Butylperoxy isopropyl carbonate;
Monoperoxokohlensaeure-O-O-tert-butylester-O-isopropylester;
EINECS 219-143-7;
OO-tert-butyl ispropyl peroxycarbonate;
OO-tert-butyl O-isopropyl monoperoxycarbonate;
tert-Butyl-isopropoxycarbonyl-peroxid;
tert-butyl-isopropoxycarbonyl peroxide
精确分子量/精确质量:
176.10500
极性分子表面积/PSA:
44.76000
油水分配系数/LogP:

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值,反映了物质在油水两相中的分配情况。其中、LogP值越大,说明该物质越亲油;反之,LogP值越小,则说明该物质越亲水。
EINECS:
219-143-7
InChI:
InChI=1/C8H16O4/c1-6(2)10-7(9)11-12-8(3,4)5/h6H,1-5H3

物化性质展开↓

外观与性状:
透明溶液
密度:
0.994 g/cm3
熔点:
-20ºC
沸点:
170.8ºC at 760 mmHg
闪点:
57.6ºC
折射率:
n20/D 1.448
蒸汽压:
1.44mmHg at 25°C
存储条件/存储方法:

密封储存,储存于阴凉、干燥的库房。远离火源,易燃易爆区,还原剂。冷藏储存。

稳定性相关:

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的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。

与还原剂,酸,碱,铁锈,重金属反应。

 

其它信息:

1.      性状:有微弱气味的透明液体

2.      密度(g/mL,25):0.905

3.      相对蒸汽密度(g/mL,空气=1):未确定

4.      熔点(ºC):-20

5.      沸点(ºC,常压):未确定

6.      沸点(ºC,42mmHg):未确定

7.      折射率(n20/D)1.448

8.      闪点(ºC):47

9.      比旋光度(º):未确定

10.   自燃点或引燃温度(ºC):>380

11.   蒸气压(mPa,20ºC):2.3

12.   饱和蒸气压(kPa,25ºC):未确定

13.   燃烧热(KJ/mol):未确定

14.   临界温度(ºC):未确定

15.   临界压力(KPa):未确定

16.   油水(辛醇/水)分配系数的对数值:未确定

17.   爆炸上限(%,V/V):未确定

18.   爆炸下限(%,V/V):未确定

19.   溶解性:与水混溶

安全信息展开↓

包装等级:
II
风险类别:
5.2
海关代码:
2918300090
危险类别码:
R7
安全说明:
36/37/39-35-3/7-26-14A-14-62-45-53
安全标志:
S14:远离...(列出不相容的物质)。
S26:万一接触眼睛,立即使用大量清水冲洗并送医诊治。
S45:出现意外或者感到不适,立刻到医生那里寻求帮助(最好带去产品容器标签)。
S53:避免暴露——使用前先阅读专门的说明。
S62:如果不慎吞咽,不要催吐;立刻找医生诊治并出示产品容器或标签。
:
危险标志:
Xi: Irritant;T: Toxic;O: Oxidizing agent;E: Explosive;

合成路线查看所有的合成路线

  • 75-91-2

    叔丁基过氧化氢

  • +

  • 108-23-6

    氯甲酸异丙酯

  • ~85%

  • 2372-21-6

    叔丁基过氧异丙基甲酸酯

  • 69945-20-6

    imidazolyl percarboxylate de t-butyle

  • +

  • 67-63-0

    异丙醇

  • 3236-56-4

    dipercarbonate de O,O-t-butyle

  • +

  • 2372-21-6

    叔丁基过氧异丙基甲酸酯

MSDS 展开↓

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

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

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.

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.

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.

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.

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.

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.

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

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.

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.

Section 12 - ECOLOGICAL INFORMATION
 

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

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

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.


SECTION 16 - ADDITIONAL INFORMATION
N/A

海关数据查看详细

中国海关编码:2918300090

概述:
2918300090 其他含醛基或酮基不含其他含氧基羧酸(包括酸酐、酰卤化物、过氧化物和过氧酸及该税号的衍生物). 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:6.5% 普通关税:30.0%
申报要素:
品名, 成分含量, 用途
摘要/Summary:
2918300090 other carboxylic acids with aldehyde or ketone function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:30.0%

分子结构与计算化学数据展开↓

计算化学数据


1.疏水参数计算参考值(XlogP):2.4

2.氢键供体数量:0

3.氢键受体数量:4

4.可旋转化学键数量:5

5.互变异构体数量:无

6.拓扑分子极性表面积44.8

7.重原子数量:12

8.表面电荷:0

9.复杂度:146

10.同位素原子数量:0

11.确定原子立构中心数量:0

12.不确定原子立构中心数量:0

13.确定化学键立构中心数量:0

14.不确定化学键立构中心数量:0

15.共价键单元数量:1

上下游相关产品

上游产品

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  • 75-91-2

    叔丁基过氧化氢

  • 108-23-6

    氯甲酸异丙酯

  • 69945-20-6

    imidazolyl percarboxylate de t-butyle

  • 67-63-0

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下游产品

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