98258-72-1
98258-72-1结构式
- 常用中文名：甲基4-(3-羰基-3-苯基-1-丙烯基)苯甲酸
- 常用英文名：methyl 4-(3-oxo-3-phenyl-1-propenyl) benzoate
- CAS号：98258-72-1
- 分子式：C17H14O3
- 分子量：266.29100
- 发布时间：2018-12-29 13:21:00
- 更新时间：2024-01-27 12:53:28
| 中文名 | 甲基4-(3-羰基-3-苯基-1-丙烯基)苯甲酸 |
|---|---|
| 英文名 | methyl 4-(3-oxo-3-phenyl-1-propenyl) benzoate |
| 中文别名 | 4-(3-氧代-3-苯基-1-丙烯基)苯甲酸甲酯 |
| 英文别名 |
Methyl 4-(3-Oxo-3-Phenyl-1-Propenyl) Benzoate (NMR)
4-(3-Oxo-3-phenyl-propenyl)-benzoesaeure-methylester 4-(3-oxo-3-phenyl-propenyl)-benzoic acid methyl ester 4-(3-oxo-3-phenyl-1-propenyl)-benzoic acid,methyl ester 4-carbomethoxychalcone METHYL 4-(3-OXO-3-PHENYLPROP-1-ENYL)BENZOATE METHYL 4-[(E)-3-OXO-3-PHENYL-PROP-1-ENYL]BENZOATE MFCD00216483 |
| 密度 | 1.169g/cm3 |
|---|---|
| 沸点 | 426.3ºC at 760mmHg |
| 熔点 | 119-120ºC |
| 分子式 | C17H14O3 |
| 分子量 | 266.29100 |
| 闪点 | 189.5ºC |
| 精确质量 | 266.09400 |
| PSA | 43.37000 |
| LogP | 3.36930 |
| 折射率 | 1.609 |
| 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：78.88 2、 摩尔体积（m3/mol）：227.7 3、 等张比容（90.2K）：595.8 4、 表面张力（dyne/cm）：46.8 5、 极化率（10-24cm3）：31.27 |
| 计算化学 | 1、 疏水参数计算参考值（XlogP）：2.9 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：5 5、 拓扑分子极性表面积（TPSA）：43.4 6、 重原子数量：20 7、 表面电荷：0 8、 复杂度：358 9、 同位素原子数量：0 10、 确定原子立构中心数量：0 11、 不确定原子立构中心数量：0 12、 确定化学键立构中心数量：1 13、 不确定化学键立构中心数量：0 14、 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）：119-120 5. 沸点（ºC,常压）：无可用 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:None Known 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. May cause chemical conjunctivitis. Skin: Causes skin irritation. Ingestion: May cause gastrointestinal irritation with nausea, vomiting and diarrhea. Inhalation: Causes respiratory tract irritation. Can produce delayed pulmonary edema. Chronic: Effects may be delayed. 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. 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. 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 not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid. Do NOT use mouth-to-mouth resuscitation. Notes to Physician: Treat symptomatically and supportively. 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. Runoff from fire control or dilution water may cause pollution. Extinguishing Media: Use agent most appropriate to extinguish fire. 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: Vacuum or sweep up material and place into a suitable disposal container. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions. Provide ventilation. Section 7 - HANDLING and STORAGE Handling: Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation. Use with adequate ventilation. Storage: Keep container closed when not in use. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. 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 process enclosure, local exhaust ventilation, or other engineering controls to control airborne levels. Exposure Limits CAS# 98258-72-1: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166. Skin: Wear appropriate protective gloves to prevent skin exposure. Clothing: Wear appropriate protective clothing to prevent skin exposure. Respirators: A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use. Section 9 - PHYSICAL AND CHEMICAL PROPERTIES Physical State: Solid Color: yellow Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 119.00 - 120.00 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: negligible Specific Gravity/Density: Molecular Formula: C17H14O3 Molecular Weight: 266.29 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable at room temperature in closed containers under normal storage and handling conditions. Conditions to Avoid: Incompatible materials, dust generation, excess heat, strong oxidants. Incompatibilities with Other Materials: Oxidizing agents. Hazardous Decomposition Products: Carbon monoxide, irritating and toxic fumes and gases, carbon dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 98258-72-1 unlisted. LD50/LC50: Not available. Carcinogenicity: Methyl 4-(3-Oxo-3-Phenyl-1-Propenyl) Benzoate - 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: Not regulated. Hazard Class: UN Number: Packing Group: IMO Shipping Name: Not regulated. Hazard Class: UN Number: Packing Group: RID/ADR Shipping Name: Not regulated. Hazard Class: UN Number: Packing group: 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# 98258-72-1: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 98258-72-1 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 98258-72-1 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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生态学数据: 通常对水是不危害的，若无政府许可，勿将材料排入周围环境。
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| 危害码 (欧洲) | Xi: Irritant; |
|---|---|
| 风险声明 (欧洲) | 36/37/38 |
| 安全声明 (欧洲) | 37/39-26 |
| 海关编码 | 2918300090 |
|
~81%
98258-72-1 |
| 文献：Varma, Rajender S.; Kabalka, George W.; Evans, Lan T.; Pagni, Richard M. Synthetic Communications, 1985 , vol. 15, # 4 p. 279 - 284 |
|
~18%
98258-72-1 |
| 文献：Unoh, Yuto; Hirano, Koji; Satoh, Tetsuya; Miura, Masahiro Journal of Organic Chemistry, 2013 , vol. 78, # 10 p. 5096 - 5102 |
|
~%
98258-72-1 |
| 文献：Journal of the Chemical Society, , vol. 105, p. 2172,2173 |
|
~%
98258-72-1 |
| 文献：Journal of the Chemical Society, , vol. 105, p. 2172,2173 |
|
~%
98258-72-1 |
| 文献：Journal of the Chemical Society, , vol. 105, p. 2172,2173 |
| 海关编码 | 2918300090 |
|---|---|
| 中文概述 | 2918300090 其他含醛基或酮基不含其他含氧基羧酸（包括酸酐、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 | 2918300090 other carboxylic acids with aldehyde or ketone 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% |