| 中文名 | 2-氰基-3-甲基丁烯酸乙酯 |
|---|---|
| 英文名 | ethyl 2-cyano-3-methylcrotonate |
| 中文别名 | 2-氰基-3-甲基巴豆酸乙酯 |
| 英文别名 |
ethyl 2-cyano-3-methylbut-2-enoate
MFCD00009135 |
| 密度 | 1.014 g/mL at 25ºC(lit.) |
|---|---|
| 沸点 | 98-99ºC1 mm Hg(lit.) |
| 熔点 | ca 20℃ |
| 分子式 | C8H11NO2 |
| 分子量 | 153.17800 |
| 闪点 | 224 °F |
| 精确质量 | 153.07900 |
| PSA | 50.09000 |
| LogP | 1.40948 |
| 外观性状 | 透明无色至略黄色液体 |
| 折射率 | n20/D 1.464(lit.) |
| 储存条件 | 保持容器密封，放入紧密的出藏器内，储存在阴凉，干燥的地方 |
| 稳定性 | 常温常压下稳定，避免氧化物接触 |
| 分子结构 | 1、 摩尔折射率：40.54 2、 摩尔体积（m3/mol）：150.6 3、 等张比容（90.2K）：363.0 4、 表面张力（dyne/cm）：33.7 5、 介电常数： 6、 偶极距（10 -24cm 3）： 7、 极化率：16.07 |
| 计算化学 | 1.疏水参数计算参考值（XlogP）:1.9 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50.1 7.重原子数量:11 8.表面电荷:0 9.复杂度:228 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：未确定 2. 密度（g/mL,25/4℃）：1.014 3. 相对蒸汽密度（g/mL,空气=1）：未确定 4. 熔点（ºC）：未确定 5. 沸点（ºC,1mmHg）：98-99 6. 沸点（ºC,5.2kPa）：未确定 7. 折射率：1.464 8. 闪点（ºF）：224 9. 比旋光度（º）：未确定 10. 自燃点或引燃温度（ºC）：未确定 11. 蒸气压（kPa,25ºC）：未确定 12. 饱和蒸气压（kPa,60ºC）：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：未确定 |
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. Potential Health Effects Eye: Causes eye irritation. Skin: Causes skin irritation. Ingestion: May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated. Inhalation: Causes respiratory tract irritation. The toxicological properties of this substance have not been fully investigated. 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: Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Ingestion: 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: 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 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. Section 7 - HANDLING and STORAGE Handling: Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes. Storage: Store in a cool, dry place. Store in a tightly closed container. Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION Engineering Controls: Use adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 759-58-0: Personal Protective Equipment Eyes: Not available. 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: Clear liquid Color: colorless to slightly yellow Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: 120 - 122 deg C @ 2 Freezing/Melting Point: Not available. Autoignition Temperature: Not available. Flash Point: 107 deg C ( 224.60 deg F) Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Solubility in water: immiscible with water Specific Gravity/Density: 1.0140g/cm3 Molecular Formula: C8H11NO2 Molecular Weight: 153.0825 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Incompatible materials. Incompatibilities with Other Materials: Strong oxidizing agents, strong bases. Hazardous Decomposition Products: Carbon monoxide, oxides of nitrogen, carbon dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 759-58-0 unlisted. LD50/LC50: Not available. Carcinogenicity: Ethyl 2-cyano-3-methyl-2-butenoate - 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 No information available. IMO No information available. RID/ADR No information available. 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# 759-58-0: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 759-58-0 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 759-58-0 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: 对水是稍微有害的，不要让未稀释或大量的产品接触地下水，水道或者污水系统，若无政府许可，勿将材料排入周围环境
|
| 符号 |
GHS07 |
|---|---|
| 信号词 | Warning |
| 危害声明 | H302 + H312 + H332-H315-H319-H335 |
| 警示性声明 | P261-P280-P305 + P351 + P338 |
| 个人防护装备 | Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter |
| 危害码 (欧洲) | Xn |
| 风险声明 (欧洲) | R20/21/22 |
| 安全声明 (欧洲) | S26-S37-S39 |
| 危险品运输编码 | UN 3276 |
| WGK德国 | 3 |
| 包装等级 | III |
| 危险类别 | 6.1 |
| 海关编码 | 2926909090 |
|
~96%
759-58-0 |
| 文献：Ying, An-Guo; Wu, Cheng-Lin; He, Guang-Hong Asian Journal of Chemistry, 2012 , vol. 24, # 2 p. 653 - 656 |
|
~82%
759-58-0 |
| 文献：Boehringer Ingelheim Pharmaceuticals, Inc. Patent: US6136982 A1, 2000 ; |
|
~%
759-58-0 |
| 文献：Polish Journal of Chemistry, , vol. 52, p. 1389 - 1394 |
|
~%
759-58-0 |
| 文献：Journal of Organic Chemistry, , vol. 26, p. 2738 - 2740 |
|
~%
759-58-0 |
| 文献：Chemische Berichte, , vol. 48, p. 261 |
|
~%
759-58-0 |
| 文献：Chemische Berichte, , vol. 48, p. 261 |
|
~%
759-58-0 |
| 文献：Chemische Berichte, , vol. 33, p. 3532 |
| 海关编码 | 2926909090 |
|---|---|
| 中文概述 | 2926909090 其他腈基化合物. 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 |
| Summary | HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0% |
