13122-18-4
13122-18-4结构式
- 常用中文名：叔丁基过氧化-3,5,5-三甲基己酸酯
- 常用英文名：tert-Butyl peroxy-3,5,5-trimethylhexanoate
- CAS号：13122-18-4
- 分子式：C13H26O3
- 分子量：230.34400
- 发布时间：2018-12-30 10:17:09
- 更新时间：2024-01-03 10:06:27
| 中文名 | 叔丁基过氧化-3,5,5-三甲基己酸酯 |
|---|---|
| 英文名 | tert-Butyl peroxy-3,5,5-trimethylhexanoate |
| 中文别名 |
過異壬酸三級丁酯
过氧-3,5,5-三甲基己酸叔丁酯 |
| 英文别名 |
EINECS 236-050-7
t-butyl 3,3,5-trimethylperoxyhexanoate 42s Perbutyl 355 tert-Butylperisononanoate trigonox 42s tert-butyl 3,5,5-trimethylperoxyhexanoate t-Butyl peroxy-3,5,5-trimethyl hexanoate Trigonox 42 |
| 密度 | 0.897 |
|---|---|
| 沸点 | 258.6ºC at 760 mmHg |
| 熔点 | -30 °C |
| 分子式 | C13H26O3 |
| 分子量 | 230.34400 |
| 闪点 | 70.8ºC |
| 精确质量 | 230.18800 |
| PSA | 35.53000 |
| LogP | 3.72210 |
| 外观性状 | 透明液体 |
| 折射率 | 1.4295-1.4315 |
| 储存条件 | 密闭于4°C阴凉干燥环境中 |
| 稳定性 | 遵照规定使用和储存则不会分解。 |
| 水溶解性 | PARTLY MISCIBLE |
| 分子结构 | 1、 摩尔折射率：65.68 2、 摩尔体积（m3/mol）：253.4 3、 等张比容（90.2K）：581.3 4、 表面张力（3.0 dyne/cm）：27.6 5、 极化率（0.5 10 -24cm 3）：26.04 |
| 计算化学 | 1、 疏水参数计算参考值（XlogP）：4.1 2、 氢键供体数量：0 3、 氢键受体数量：3 4、 可旋转化学键数量：7 5、 拓扑分子极性表面积（TPSA）：35.5 6、 重原子数量：16 7、 表面电荷：0 8、 复杂度：220 9、 同位素原子数量：0 10、 确定原子立构中心数量：0 11、 不确定原子立构中心数量：1 12、 确定化学键立构中心数量：0 13、 不确定化学键立构中心数量：0 14、 共价键单元数量：1 |
| 更多 | 1. 性状：无可用 2. 密度（g/mL,25/4℃）：0.897 3. 相对蒸汽密度（g/mL,空气=1）：无可用 4. 熔点（ºC）： -30 5. 沸点（ºC,常压）：无可用 6. 沸点（ºC,5.2kPa）：无可用 7. 折射率：1.4295-1.4315 8. 闪点（ºC）：无可用 9. 比旋光度（º）：无可用 10. 自燃点或引燃温度（ºC）：无可用 11. 蒸气压（kPa,25ºC）：无可用 12. 饱和蒸气压（kPa,60ºC）：无可用 13. 燃烧热（KJ/mol）：无可用 14. 临界温度（ºC）：无可用 15. 临界压力（KPa）：无可用 16. 油水（辛醇/水）分配系数的对数值：无可用 17. 爆炸上限（%,V/V）：无可用 18. 爆炸下限（%,V/V）：无可用 19. 溶解性：无可用 |
Synonym:None Known Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
Risk Phrases: 38 7 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW
Irritating to skin. May cause fire.The toxicological properties of this material have not been fully investigated. Potential Health Effects Eye: May cause eye irritation. Skin: Causes skin irritation. May be harmful if absorbed through the skin. Ingestion: May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated. Inhalation: May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated. May be harmful if inhaled. Chronic: No information found. Section 4 - FIRST AID MEASURES Eyes: In case of contact, immediately flush eyes with plenty of water for at least 15 minutes. Get medical aid. Skin: In case of contact, flush skin with plenty of water. Remove contaminated clothing and shoes. Get medical aid if irritation develops and persists. Wash clothing before reuse. Ingestion: If swallowed, do not induce vomiting unless directed to do so by medical personnel. Never give anything by mouth to an unconscious person. Get medical aid. Inhalation: If inhaled, remove to fresh air. 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. Strong oxidizer. Contact with other material may cause fire. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Use water with caution and in flooding amounts. Vapors may be heavier than air. They can spread along the ground and collect in low or confined areas. Some oxidizers may react explosively with hydrocarbons(fuel). May accelerate burning if involved in a fire. Containers may explode when heated. Runoff from fire control or dilution water may cause pollution. Extinguishing Media: Use water spray, dry chemical, carbon dioxide, or chemical foam. Contact professional fire-fighters immediately. 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. Clean up spills immediately, observing precautions in the Protective Equipment section. Sweep up or absorb material, then place into a suitable clean, dry, closed container for disposal. Remove all sources of ignition. Provide ventilation. Do not use combustible materials such as paper towels to clean up spill. Section 7 - HANDLING and STORAGE Handling: Wash thoroughly after handling. Use with adequate ventilation. Avoid breathing dust, vapor, mist, or gas. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid contact with clothing and other combustible materials. Avoid ingestion and inhalation. Avoid mechanical shock and friction. Storage: Do not store near combustible materials. Store in a tightly closed container. Store in a dry area. Keep refrigerated. (Store below 4C/39F.) Keep away from reducing agents. Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION Engineering Controls: Use explosion-proof ventilation equipment. Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 13122-18-4: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166. Skin: Wear appropriate protective gloves to prevent skin exposure. Clothing: Wear a chemical apron. Wear appropriate protective clothing to prevent skin exposure. Wear appropriate 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: Clear liquid Color: Not available. Odor: characteristic odor pH: Not available. Vapor Pressure: Not available. Viscosity: 5 mPa.s 20 deg C Boiling Point: Not available. Freezing/Melting Point: -30 deg C Autoignition Temperature: > 380 deg C (> 716.00 deg F) Flash Point: Not available. Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Solubility in water: Partially soluble. Specific Gravity/Density: 0.897 Molecular Formula: C13H26O3 Molecular Weight: 230.35 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: Ignition sources, excess heat, combustible materials, reducing agents. Incompatibilities with Other Materials: Reducing agents, acids, bases, heavy metals, rust. Hazardous Decomposition Products: Carbon monoxide, carbon dioxide, acetone, methane. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 13122-18-4 unlisted. LD50/LC50: Not available. Carcinogenicity: tert-Butyl peroxy-3,5,5-trimethylhexanoate - Not listed by ACGIH, IARC, or NTP. 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 D, LIQUID (TERT-BUTYL PEROXY -3,5,5-TRIMETHYLHEXANOATE) Hazard Class: 5.2 UN Number: 3105 Packing Group: II IMO Shipping Name: ORGANIC PEROXIDE TYPE D, LIQUID (TERT-BUTYL PEROXY -3,5,5-TRIMETHYLHEXANOATE) Hazard Class: 5.2 UN Number: 3105 Packing Group: II RID/ADR Shipping Name: ORGANIC PEROXIDE TYPE D, LIQUID (TERT-BUTYL PEROXY -3,5,5-TRIMETHYLHEXANOATE) Hazard Class: 5.2 UN Number: 3105 Packing group: II Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: XI O Risk Phrases: R 38 Irritating to skin. 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 36/37/39 Wear suitable protective clothing, gloves and eye/face protection. WGK (Water Danger/Protection) CAS# 13122-18-4: 2 Canada CAS# 13122-18-4 is listed on Canada's DSL List. CAS# 13122-18-4 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 13122-18-4 is listed on the TSCA inventory. SECTION 16 - ADDITIONAL INFORMATION N/A |
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生态学数据: 该物质对环境可能有危害，对水体应给予特别注意。
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| 危害码 (欧洲) | O: Oxidizing agent;Xi: Irritant; |
|---|---|
| 风险声明 (欧洲) | R38;R7 |
| 安全声明 (欧洲) | 36/37/39-3/7-26-14A |
| 危险品运输编码 | UN 2104 |
| WGK德国 | 3 |
| RTECS号 | EU1180000 |
| 危险类别 | 5.2 |