70170-91-1
70170-91-1结构式
- 常用中文名：3-(4-羰基苯基)丙酸
- 常用英文名：3-(4-CARBOXYPHENYL)PROPIONIC ACID
- CAS号：70170-91-1
- 分子式：C10H10O4
- 分子量：194.18400
- 发布时间：2018-09-16 08:45:30
- 更新时间：2024-01-09 18:39:14
| 中文名 | 3-(4-羰基苯基)丙酸 |
|---|---|
| 英文名 | 3-(4-carboxyphenyl)propionic acid, 98 |
| 英文别名 | 4-Carboxyhydrocinnamic acid |
| 密度 | 1.33g/cm3 |
|---|---|
| 沸点 | 406.1ºC at 760mmHg |
| 熔点 | 289-293ºC(lit.) |
| 分子式 | C10H10O4 |
| 分子量 | 194.18400 |
| 闪点 | 213.6ºC |
| 精确质量 | 194.05800 |
| PSA | 63.60000 |
| LogP | 1.35260 |
| 分子结构 | 1、 摩尔折射率：50.51 2、 摩尔体积（m3/mol）：152.7 3、 等张比容（90.2K）：410.3 4、 表面张力（dyne/cm）：52.1 5、 极化率（10 -24cm 3）：20.02 |
| 计算化学 | 1.疏水参数计算参考值（XlogP）:无 2.氢键供体数量:0 3.氢键受体数量:4 4.可旋转化学键数量:2 5.互变异构体数量:3 6.拓扑分子极性表面积80.3 7.重原子数量:14 8.表面电荷:-2 9.复杂度:205 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：。 2. 密度（g/mL,25/4℃）：未确定 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,常压）：未确定 6. 沸点（ºC,5.2kPa）：未确定 7. 折射率：未确定 8. 闪点（ºC）：未确定 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：。 |
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. May be harmful if absorbed through the skin. Ingestion: May cause irritation of the digestive tract. May be harmful if swallowed. Inhalation: Causes respiratory tract irritation. May be harmful if inhaled. 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: Vacuum or sweep up material and place into a suitable disposal 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. Use adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 70170-91-1: 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: Solid Color: Not available. Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 288 - 291 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: Specific Gravity/Density: Molecular Formula: C10H10O4 Molecular Weight: 194.19 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Incompatible materials. Incompatibilities with Other Materials: Strong oxidizing agents. Hazardous Decomposition Products: Carbon monoxide, carbon dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 70170-91-1 unlisted. LD50/LC50: Not available. Carcinogenicity: 3-(4-Carboxyphenyl)propionic acid - 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# 70170-91-1: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 70170-91-1 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 70170-91-1 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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70170-91-1 |
| 文献：Qiu, Joseph C.; Pradhan, Priya P.; Blanck, Nyle B.; Bobbitt, James M.; Bailey, William F. Organic Letters, 2012 , vol. 14, # 1 p. 350 - 353 |
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70170-91-1 |
| 文献：Suresh Kumar; Kumaresan; Antony Muthu Prabhu; Bhuvanesh; Seethalakshmi Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy, 2013 , vol. 101, p. 254 - 263 |
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70170-91-1 |
| 文献：Qiu, Joseph C.; Pradhan, Priya P.; Blanck, Nyle B.; Bobbitt, James M.; Bailey, William F. Organic Letters, 2012 , vol. 14, # 1 p. 350 - 353 |
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70170-91-1 |
| 文献：Gresham et al. Journal of the American Chemical Society, 1949 , vol. 71, p. 661 |
