119450-47-4
119450-47-4结构式
- 常用中文名：2,2-二氯-1,4-丁烷二醇
- 常用英文名：2,2-Dichlorooctadecanal
- CAS号：119450-47-4
- 分子式：C18H34Cl2O
- 分子量：337.36800
- 发布时间：2018-06-05 08:00:00
- 更新时间：2024-01-08 12:06:14
| 中文名 | 2,2-二氯-1,4-丁烷二醇 |
|---|---|
| 英文名 | 2,2-Dichlorooctadecanal |
| 英文别名 | 2,2-dichloro-1,4-butanediol |
| 分子式 | C18H34Cl2O |
|---|---|
| 分子量 | 337.36800 |
| 精确质量 | 336.19900 |
| PSA | 17.07000 |
| LogP | 7.23060 |
| 储存条件 | 密闭于阴凉干燥环境中 |
| 稳定性 | 遵照规定使用和储存则不会分解 |
| 分子结构 | 1、 摩尔折射率：95.29- 2、 摩尔体积（m3/mol）：345.7 3、 等张比容（90.2K）：829.1 4、 表面张力（dyne/cm）：33.0 5、 极化率（10-24cm3）：37.77 |
| 计算化学 | 1.疏水参数计算参考值（XlogP）:9.2 2.氢键供体数量:0 3.氢键受体数量:1 4.可旋转化学键数量:16 5.互变异构体数量:无 6.拓扑分子极性表面积17.1 7.重原子数量:21 8.表面电荷:0 9.复杂度:229 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 |
| 更多 | 1. 性状：无可用 2. 密度（g/mL,25/4℃）：无可用 3. 相对蒸汽密度（g/mL,空气=1）：无可用 4. 熔点（ºC）：无可用 5. 沸点（ºC,常压）：150 6. 沸点（ºC,5.2kPa）：无可用 7. 折射率：无可用 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:Octadecanal, 2,2-dichloro- Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
Risk Phrases: 36/37/38 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.Moisture sensitive. Potential Health Effects Eye: Causes eye irritation. Skin: Causes skin irritation. Ingestion: May cause irritation of the digestive tract. Inhalation: Causes respiratory tract irritation. 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: 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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Extinguishing Media: Use foam, dry chemical, or carbon dioxide. 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. Section 7 - HANDLING and STORAGE Handling: Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Avoid contact with eyes, skin, and clothing. Avoid breathing vapor or mist. Storage: Store in a cool, dry place. Store in a tightly closed container. 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 ventilation to keep airborne concentrations low. Exposure Limits CAS# 119450-47-4: Personal Protective Equipment Eyes: Wear chemical splash goggles. 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 slightly yellow Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: 150 - 156 deg C @ .06mm Hg Freezing/Melting Point: Not available. Autoignition Temperature: Not available. Flash Point: 190 deg C ( 374.00 deg F) Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Not available. Solubility in water: Insoluble. Specific Gravity/Density: Molecular Formula: C18H34Cl2O Molecular Weight: 337.36 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable under normal temperatures and pressures. Conditions to Avoid: Excess heat, exposure to moist air or water. Incompatibilities with Other Materials: Strong oxidizing agents. Hazardous Decomposition Products: Hydrogen chloride, carbon monoxide, carbon dioxide. Hazardous Polymerization: Has not been reported. Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 119450-47-4 unlisted. LD50/LC50: Not available. Carcinogenicity: 2,2-Dichlorooctadecanal - 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 Not regulated as a hazardous material. IMO Not regulated as a hazardous material. RID/ADR Not regulated as a hazardous material. Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: XI Risk Phrases: R 36/37/38 Irritating to eyes, respiratory system and skin. Safety Phrases: S 26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 37/39 Wear suitable gloves and eye/face protection. WGK (Water Danger/Protection) CAS# 119450-47-4: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 119450-47-4 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 119450-47-4 is not listed on the TSCA inventory. It is for research and development use only. 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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~77%
119450-47-4 |
| 文献：Buyck, L. De; Casaert, F.; Lepeleire, C. De; Schamp, N. Bulletin des Societes Chimiques Belges, 1988 , vol. 97, # 7 p. 525 - 534 |
