中文名 | 青霉酸 |
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英文名 | penicillic acid |
英文别名 |
3-methoxy-5-methyl-4-oxo-5-hexadienoicacid
Penicillic acid 25MG 3-methoxy-5-methyl-4-oxo-hexa-2,5-dienoic acid pencillicacid EINECS 202-008-1 Penicillic acid from Penicillium cyclopium 3-Methoxy-5-methyl-4-oxo-hexa-2,5-diensaeure (2E)-3-Methoxy-5-methyl-4-oxohexa-2,5-dienoic acid Penicillinsaeure kyselinapenicilova 2,5-Hexadienoic acid, 3-methoxy-5-methyl-4-oxo-, (2E)- (2E)-3-Methoxy-5-methyl-4-oxo-2,5-hexadienoic acid g-Keto-b-methoxy-d-methylene-Da-hexenoic Acid PENICILLINACID Penicilliumsaeure MFCD00004365 |
描述 | Penicillic acid 是由几种曲霉菌和青霉菌产生的一种聚酮化合物霉菌毒素,在体外对大鼠肺泡巨噬细胞 (AM) 具有细胞毒性。Penicillic acid 通过阻断 caspase-8 自我加工来抑制 Fas 配体诱导的细胞凋亡。 |
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相关类别 | |
参考文献 |
密度 | 1.2±0.1 g/cm3 |
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沸点 | 285.7±35.0 °C at 760 mmHg |
熔点 | 83-87ºC |
分子式 | C8H10O4 |
分子量 | 170.163 |
闪点 | 113.5±19.4 °C |
精确质量 | 170.057907 |
PSA | 63.60000 |
LogP | 0.84 |
外观性状 | 淡黄色粉末 |
蒸汽压 | 0.0±1.3 mmHg at 25°C |
折射率 | 1.482 |
储存条件 | 密封贮藏,储存在阴凉、干燥地方。 |
稳定性 | 1. 常温常压下稳定,避免与不相容材料接触。 2. 与强氧化剂反应。 3. 存在于烟叶中。 4. 高毒,疑为致癌物。 |
水溶解性 | DMSO: >10mg/mL |
计算化学 | 1、 疏水参数计算参考值(XlogP):1.5 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:3 5、 互变异构体数量: 6、 拓扑分子极性表面积(TPSA):66.4 7、 重原子数量:12 8、 表面电荷:-1 9、 复杂度:244 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:1 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:深黄色粉末。 2. 密度(g/mL,25℃):1.157 3. 相对蒸汽密度(g/mL,空气=1):未确定 4. 熔点(ºC):83-87 5. 沸点(ºC,常压):285.7 6. 沸点(ºC,50mmHg):未确定 7. 折射率(n20/D):1.482 8. 闪点(ºC):113.5 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(mmHg,40ºC):未确定 12. 饱和蒸气压(kPa,125ºC):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:易溶于热水、乙醇、乙醚、苯、氯仿,略溶于冷水(2g/100ml),微溶于热石油醚,几乎不溶于戊烷和己烷 |
Synonym:Gamma-Keto-Beta-Methoxy-Delta-Methylene-Delta(sup alpha)-Hexenoic Acid; Kyselina Penicilova; 3-Methoxy-5-Methyl-4-Oxo-2,5-Hexadienoic Acid 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.Cancer suspect agent.The toxicological properties of this material have not been fully investigated. Potential Health Effects Eye: May cause eye irritation. Skin: May cause skin irritation. Ingestion: May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated. Inhalation: May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated. Chronic: May cause cancer according to animal studies. Adverse reproductive effects have been reported in animals. 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. Wash clothing before reuse. Ingestion: 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. 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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. 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. Use with adequate ventilation. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation. Storage: 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 adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 90-65-3: 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: Powder Color: white Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 86 deg C Autoignition Temperature: Not applicable. Flash Point: Not applicable. Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Solubility in water: Specific Gravity/Density: Molecular Formula: C8H10O4 Molecular Weight: 170.16 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. Incompatibilities with Other Materials: Strong bases, strong 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# 90-65-3: MM2625000 LD50/LC50: CAS# 90-65-3: Oral, mouse: LD50 = 600 mg/kg. Carcinogenicity: Penicillic Acid - Not listed by ACGIH, IARC, or NTP. Other: See actual entry in RTECS for complete information. 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: II IMO Shipping Name: TOXIC SOLID, ORGANIC, N.O.S. Hazard Class: 6.1 UN Number: 2811 Packing Group: II RID/ADR Shipping Name: TOXIC SOLID, ORGANIC, N.O.S. Hazard Class: 6.1 UN Number: 2811 Packing group: II 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 24/25 Avoid contact with skin and eyes. S 28A After contact with skin, wash immediately with plenty of water. S 37 Wear suitable gloves. 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# 90-65-3: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 90-65-3 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 90-65-3 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A |
毒理学数据: 1、急性毒性:小鼠经皮下LD50:100mg/kg; 生态学数据: 对环境有危害,对水体有污染。
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATAACUTE TOXICITY DATA
MUTATION DATA
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危害码 (欧洲) | Xn: Harmful;T: Toxic; |
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风险声明 (欧洲) | R36/37/38 |
安全声明 (欧洲) | S26;S37/S39 |
危险品运输编码 | UN 2811 |
RTECS号 | MM2625000 |
包装等级 | III |
危险类别 | 6.1(b) |
海关编码 | 2918990090 |
海关编码 | 2918990090 |
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中文概述 | 2918990090. 其他含其他附加含氧基羧酸(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:13.0%. 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 | 2918990090. other carboxylic acids with additional oxygen function and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0% |