5731-13-5

• 常用中文名：对乙基联苯甲酸
• 常用英文名：4-(4-ETHYLPHENYL)BENZOIC ACID
• CAS号：5731-13-5
• 分子式：C₁₅H₁₄O₂
• 分子量：226.27000
• 相关类别： 化学试剂 有机试剂 脂肪酸
• 发布时间：2018-04-16 08:00:00
• 更新时间：2024-01-05 18:02:59

名称

• 中文名: 对乙基联苯甲酸
• 英文名: 4-(4-Ethylphenyl)Benzoic Acid
• 中文别名: 4-(4-乙基苯基)苯甲酸; 4'-乙基联苯-4-甲酸甲酸
• 英文别名: 4-(4-ethylphenyl)benzoic acid; EINECS 227-236-9; MFCD00010210

物化性质

• 密度: 1.13g/cm3
• 沸点: 389.8ºC at 760 mmHg
• 分子式: C₁₅H₁₄O₂
• 分子量: 226.27000
• 闪点: 180.5ºC
• 精确质量: 226.09900
• PSA: 37.30000
• LogP: 3.61420
• 外观性状: 白色至奶油色固体
• 储存条件:

  避光，阴凉干燥处，密封保存

• 稳定性:

  常温常压下稳定

• 分子结构:

  1、 摩尔折射率：67.32

  2、 摩尔体积（m³/mol）：200.0

  3、 等张比容（90.2K）：519.3

  4、 表面张力（dyne/cm）：45.4

  5、 极化率（10 ^-24cm ³）：26.68

• 计算化学:

  1.疏水参数计算参考值（XlogP）:无

  2.氢键供体数量:1

  3.氢键受体数量:2

  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37.3

  7.重原子数量:17

  8.表面电荷:0

  9.复杂度:246

  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℃）：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：未确定

MSDS

Name: 4-Ethylbiphenyl-4 -carboxylic acid 98% Material Safety Data Sheet Synonym: 4(4-Ethylphenyl)benzoic aci CAS: 5731-13-5 Section 1 - Chemical Product MSDS Name:4-Ethylbiphenyl-4 -carboxylic acid 98% Material Safety Data Sheet Synonym:4(4-Ethylphenyl)benzoic aci Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 5731-13-5 4-Ethylbiphenyl-4'-carboxylic acid 98 unlisted Hazard Symbols: None Listed. Risk Phrases: None Listed. Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Not available. 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. Extinguishing Media: 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: Sweep up, then place into a suitable container for disposal. 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. Avoid ingestion and inhalation. Use with adequate ventilation. 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# 5731-13-5: 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: none reported pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 220 - 222 deg C Autoignition Temperature: Not applicable. Flash Point: Not applicable. Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Not available. Solubility in water: Not available. Specific Gravity/Density: Not available. Molecular Formula: C15H14O2 Molecular Weight: 226.28 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: Strong oxidizing agents. Hazardous Decomposition Products: Carbon monoxide, irritating and toxic fumes and gases, carbon dioxide. Hazardous Polymerization: Will not occur. Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 5731-13-5 unlisted. LD50/LC50: Not available. Carcinogenicity: 4-Ethylbiphenyl-4'-carboxylic 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: Not available. Risk Phrases: Safety Phrases: S 24/25 Avoid contact with skin and eyes. WGK (Water Danger/Protection) CAS# 5731-13-5: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 5731-13-5 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 5731-13-5 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A

毒性和生态

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.

安全

• 危害码 (欧洲): Xi
• 风险声明 (欧洲): R36/37/38
• 安全声明 (欧洲): S24/25-S36-S26
• 危险品运输编码: UN 3077 9/PG 3
• 海关编码: 2916399090

合成路线

586-76-5 63139-21-9 ~84% 5731-13-5

文献：Sabounchei, Seyyed Javad; Panahimehr, Mohammad; Ahmadi, Mohsen; Nasri, Zahra; Khavasi, Hamid Reza Journal of Organometallic Chemistry, 2013 , vol. 723, p. 207 - 213

619-58-9 22873-28-5 ~29% 5731-13-5

文献：Lucking; Tucci; Rudkevich; Rebek Jr. Journal of the American Chemical Society, 2000 , vol. 122, # 37 p. 8880 - 8889

128860-87-7 ~87% 5731-13-5

文献：Kurfuerst, Antonin; Lhotak, Pavel; Nadenik, Petr; Raclova-Pavlikova, Frantiska; Kuthan, Josef Collection of Czechoslovak Chemical Communications, 1991 , vol. 56, # 7 p. 1495 - 1504

852-38-0 ~% 5731-13-5

文献：Collection of Czechoslovak Chemical Communications, , vol. 56, # 7 p. 1495 - 1504

5730-92-7 ~% 5731-13-5

文献：Journal of the Chemical Society [Section] C: Organic, , p. 840 - 845

92-91-1 ~% 5731-13-5

文献：Journal of the Chemical Society [Section] C: Organic, , p. 840 - 845

92-52-4 ~% 5731-13-5

文献：Journal of the Chemical Society [Section] C: Organic, , p. 840 - 845

5707-44-8 ~% 5731-13-5

文献：Journal of the Chemical Society [Section] C: Organic, , p. 840 - 845

58743-75-2 ~% 5731-13-5

文献：DE2535046 , ; Chem.Abstr., , vol. 86, # 189552

上下游产品

上游产品  10
586-76-5 63139-21-9 619-58-9 22873-28-5
128860-87-7 852-38-0 5730-92-7 92-91-1
92-52-4 5707-44-8
下游产品  1
92119-00-1

海关

海关编码	2916399090
中文概述	2916399090 其他芳香一元羧酸. 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, 丙烯酸、丙烯酸盐或酯应报明包装
Summary	2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%