36615-45-9
36615-45-9结构式
- 常用中文名：(S)-3-羟基-3-苯基丙酸甲酯
- 常用英文名：methyl (3S)-3-hydroxy-3-phenylpropanoate
- CAS号：36615-45-9
- 分子式：C10H12O3
- 分子量：180.20000
- 发布时间：2018-12-09 21:00:56
- 更新时间：2025-08-25 08:46:13
| 中文名 | (S)-3-羟基-3-苯基丙酸甲酯 |
|---|---|
| 英文名 | methyl (3S)-3-hydroxy-3-phenylpropanoate |
| 中文别名 | (s)-3-羟基-3-苯丙酸甲酯 |
| 英文别名 |
METHYL (S)-3-HYDROXY-3-PHENYLPROPANOATE
methyl 3-(dimethyl(phenyl)silyl)-3-phenylpropanoate Benzenepropanoic acid,b-hydroxy-,methyl ester,(S) (S)-(-)-3-Hydroxy-3-phenylpropionic acid methyl ester MFCD00221509 Methyl (S)-3-hydroxy-3-phenylpropionate Benzenepropanoic acid,b-hydroxy-,methylester,(bS) 3-hydroxy-3-phenyl-propionic acid methyl ester |
| 密度 | 1.147g/cm3 |
|---|---|
| 沸点 | 300.9ºC at 760mmHg |
| 分子式 | C10H12O3 |
| 分子量 | 180.20000 |
| 闪点 | 128.4ºC |
| 精确质量 | 180.07900 |
| PSA | 46.53000 |
| LogP | 1.28310 |
| 折射率 | 1.518-1.52 |
| 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：48.38 2、 摩尔体积（m3/mol）：157.0 3、 等张比容（90.2K）：403.5 4、 表面张力（dyne/cm）：43.6 5、 极化率（10 -24cm 3）：19.17 |
| 计算化学 | 1.疏水参数计算参考值（XlogP）:0.9 2.氢键供体数量:1 3.氢键受体数量:3 4.可旋转化学键数量:4 5.互变异构体数量:无 6.拓扑分子极性表面积46.5 7.重原子数量:13 8.表面电荷:0 9.复杂度:162 10.同位素原子数量:0 11.确定原子立构中心数量:1 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）：无可用 6. 沸点（ºC,5.2kPa）：无可用 7. 折射率：1.518-1.52 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:(p-Tolylsulfonyl)methyl isocyanide; TosMI Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
Risk Phrases: 23/24/25 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW
Toxic by inhalation, in contact with skin and if swallowed.Moisture sensitive. Potential Health Effects Eye: Causes eye irritation. May cause chemical conjunctivitis. Skin: Causes skin irritation. May be absorbed through the skin in harmful amounts. May be metabolized to cyanide which in turn acts by inhibiting cytochrome oxidase impairing cellular respiration. Ingestion: Harmful if swallowed. May cause gastrointestinal irritation with nausea, vomiting and diarrhea. May cause cardiac disturbances. May cause central nervous system depression. Ingestion may result in symptoms similar to cyanide poisoning which is characterized by asphyxiation. Inhalation: Causes respiratory tract irritation. May cause cardiac abnormalities. Contains cyanide. Can produce delayed pulmonary edema. May be metabolized to cyanide which in turns act by inhibiting cytochrome oxidase impairing cellular respiration. Inhalation may result in symptoms similar to cyanide poisoning which include tachypnea, hyperpnea (abnormally rapid or deep breathing), and dyspnea (labored breathing) followed rapidly by respiratory depression. Pulmonary edema may occur. Inhalation at high concentrations may cause CNS depression and asphixiation. Chronic: May be metabolized to cyanide which in turn acts by inhibiting cytochrome oxidase impairing cellular respiration. Effects may be delayed. Chronic exposure to cyanide solutions may lead to the development of a "cyanide" rash, characterized by itching, and by macular, papular, and vesicular eruptions, and may be accompanied by secondary infections. Exposure to small amounts of cyanide compounds over long periods of time is reported to cause loss of appetite, headache, weakness, nausea, dizziness, and symptoms of irritation of the upper respiratory tract and eyes. 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. Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse. Ingestion: Never give anything by mouth to an unconscious person. Get medical aid immediately. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water. Inhalation: Remove from exposure and move to fresh air immediately. If breathing is difficult, give oxygen. Get medical aid. Do NOT use mouth-to-mouth resuscitation. If breathing has ceased apply artificial respiration using oxygen and a suitable mechanical device such as a bag and a mask. Notes to Physician: Treat symptomatically and supportively. May be partially metabolized to cyanide in the body. Antidote: Always have a cyanide antidote kit on hand when working with cyanide compounds. Get medical advice to use. 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. Containers may explode when heated. Non-combustible, substance itself does not burn but may decompose upon heating to produce corrosive and/or toxic fumes. Runoff from fire control or dilution water may cause pollution. Extinguishing Media: Do NOT get water inside containers. Use water spray, dry chemical, carbon dioxide, or appropriate foam. Section 6 - ACCIDENTAL RELEASE MEASURES General Information: Use proper personal protective equipment as indicated in Section 8. Spills/Leaks: Clean up spills immediately, observing precautions in the Protective Equipment section. Sweep up, then place into a suitable container for disposal. Provide ventilation. Do not get water inside containers. Section 7 - HANDLING and STORAGE Handling: Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation. Use with adequate ventilation. Do not allow contact with water. Wash clothing before reuse. Keep from contact with moist air and steam. Storage: Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Keep refrigerated. (Store below 4C/39F.) Store protected from moisture. 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 exhaust ventilation to keep airborne concentrations below the permissible exposure limits. Exposure Limits CAS# 36615-45-9: Personal Protective Equipment Eyes: Wear safety glasses and chemical goggles if splashing is possible. Skin: Wear appropriate protective gloves and clothing to prevent skin exposure. Clothing: Wear appropriate protective clothing to minimize contact with skin. Respirators: Wear a NIOSH/MSHA or European Standard EN 149 approved full-facepiece airline respirator in the positive pressure mode with emergency escape provisions. Section 9 - PHYSICAL AND CHEMICAL PROPERTIES Physical State: Crystalline powder Color: slightly yellow Odor: None reported. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 114.00 - 115.00 deg C Autoignition Temperature: Not available. Flash Point: Not available. Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Solubility in water: insoluble Specific Gravity/Density: Molecular Formula: C9H9NO2S Molecular Weight: 195.24 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable at room temperature in closed containers under normal storage and handling conditions. May decompose on exposure to moist air or water. Conditions to Avoid: Incompatible materials, dust generation, moisture, excess heat. Incompatibilities with Other Materials: Moisture, oxidizing agents, strong acids. Hazardous Decomposition Products: Nitrogen oxides, carbon monoxide, oxides of sulfur, carbon dioxide, cyanide fumes, nitrogen. Hazardous Polymerization: Has not been reported. Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 36615-45-9 unlisted. LD50/LC50: Not available. Carcinogenicity: Tosylmethyl Isocyanide - 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: TOXIC SOLID, ORGANIC, N.O.S.* Hazard Class: 6.1 UN Number: 2811 Packing Group: III IMO Shipping Name: TOXIC SOLID, ORGANIC, N.O.S. Hazard Class: 6.1 UN Number: 2811 Packing Group: III RID/ADR Shipping Name: TOXIC SOLID, ORGANIC, N.O.S. Hazard Class: 6.1 UN Number: 2811 Packing group: III Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: T Risk Phrases: R 23/24/25 Toxic by inhalation, in contact with skin and if swallowed. Safety Phrases: S 45 In case of accident or if you feel unwell, seek medical advice immediately (show the label where possible). WGK (Water Danger/Protection) CAS# 36615-45-9: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 36615-45-9 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 36615-45-9 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。
|
| 安全声明 (欧洲) | 24/25 |
|---|---|
| 海关编码 | 2918199090 |
| 海关编码 | 2918199090 |
|---|---|
| 中文概述 | HS: 2918199090. 其他含醇基但不含其他含氧基羧酸（包括其酸酐、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 |
| Summary | 2918199090 other carboxylic acids with alcohol 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% |