| 中文名 | 1-哌啶基乙醛酸乙酯 |
|---|---|
| 英文名 | ethyl 2-oxo-2-piperidin-1-ylacetate |
| 英文别名 |
ethyl 2-oxo-2-piperidylacetate
Ethyl 1-piperidineglyoxylate MFCD00006485 ethyl piperidine glyoxalate 1w8m EINECS 258-343-9 oxo-piperidin-1-yl-acetic acid ethyl ester E1P oxo-piperidino-acetic acid ethyl ester Oxo-piperidino-essigsaeure-aethylester Ethyl 1-piperidineoxoacetate ETHYL OXO(PIPERIDIN-1-YL)ACETATE |
| 密度 | 1.12g/cm3 |
|---|---|
| 沸点 | 261.3ºC at 760mmHg |
| 分子式 | C9H15NO3 |
| 分子量 | 185.22000 |
| 闪点 | 111.8ºC |
| 精确质量 | 185.10500 |
| PSA | 46.61000 |
| LogP | 0.49990 |
| 折射率 | 1.4735-1.4755 |
| 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：46.87 2、 摩尔体积（m3/mol）：165.2 3、 等张比容（90.2K）：417.9 4、 表面张力（dyne/cm）：40.8 5、 极化率（10 -24cm 3）：18.58 |
| 计算化学 | 1.疏水参数计算参考值（XlogP）:1.2 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:3 5.互变异构体数量:无 6.拓扑分子极性表面积46.6 7.重原子数量:13 8.表面电荷:0 9.复杂度:197 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℃）：1.02 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）：158-159/71mmHg 6. 沸点（ºC,5.2kPa）：无可用 7. 折射率：1.4735-1.4755 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: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
Risk Phrases: 36/37/38 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.The toxicological properties of this material have not been fully investigated. Potential Health Effects Eye: Causes eye irritation. Skin: Causes skin irritation. Ingestion: The toxicological properties of this substance have not been fully investigated. Inhalation: Causes respiratory tract irritation. Chronic: Not available. Section 4 - FIRST AID MEASURES Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid. Skin: Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Get medical aid if irritation develops or persists. Ingestion: Get medical aid. Wash mouth out with water. Inhalation: Remove from exposure and move to fresh air immediately. Get medical aid if cough or other symptoms appear. 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. 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. Section 7 - HANDLING and STORAGE Handling: Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes. Use only in a chemical fume hood. 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. Exposure Limits CAS# 53074-96-7: Personal Protective Equipment Eyes: Wear chemical splash goggles. Skin: Wear appropriate protective gloves to prevent skin exposure. Clothing: Wear a chemical apron. 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: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: 158 - 159 deg C @ 71.00mm Hg Freezing/Melting Point: Not available. Autoignition Temperature: Not available. Flash Point: > 112 deg C (> 233.60 deg F) Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Solubility in water: Specific Gravity/Density: 1.0260g/cm3 Molecular Formula: C9H15NO3 Molecular Weight: 185.22 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Not available. Incompatibilities with Other Materials: Strong oxidizing agents. Hazardous Decomposition Products: Carbon monoxide, oxides of nitrogen, carbon dioxide. Hazardous Polymerization: Has not been reported. Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 53074-96-7 unlisted. LD50/LC50: Not available. Carcinogenicity: Ethyl 1-piperidineglyoxylate, 99% - 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# 53074-96-7: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 53074-96-7 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 53074-96-7 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A |
|
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。
|
| 危害码 (欧洲) | Xi |
|---|---|
| 风险声明 (欧洲) | R36/37/38 |
| 安全声明 (欧洲) | S26-S37-S39 |
| 海关编码 | 2933399090 |
|
~69%
53074-96-7 |
| 文献：Enichem Anic S.p.A. Patent: US4981963 A1, 1991 ; |
|
~99%
53074-96-7 |
| 文献：Gadge, Sandip T.; Bhanage, Bhalchandra M. Journal of Organic Chemistry, 2013 , vol. 78, # 13 p. 6793 - 6797 |
|
~%
53074-96-7 |
| 文献：Wang, Jian; Morra, Nicholas A.; Zhao, Hongda; Gorman, Jeffrey S.T.; Lynch, Vincent; McDonald, Robert; Reichwein, John F.; Pagenkopf, Brian L. Canadian Journal of Chemistry, 2009 , vol. 87, # 1 SPEC. ISS. p. 328 - 334 |
|
~%
53074-96-7 |
| 文献：Ungnade; Kissinger Journal of Organic Chemistry, 1959 , vol. 24, p. 666 |
|
~%
53074-96-7 |
| 文献：Wallach; Lehmann Justus Liebigs Annalen der Chemie, 1887 , vol. 237, p. 241,243 |
| 上游产品 7 | |
|---|---|
| 下游产品 3 | |
| 海关编码 | 2933399090 |
|---|---|
| 中文概述 | 2933399090. 其他结构含非稠合吡啶环的化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0% |
| 申报要素 | 品名, 成分含量, 用途, 乌洛托品请注明外观, 6－己内酰胺请注明外观, 签约日期 |
| Summary | 2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
