2245-53-6

• 常用中文名：氢醌-O,O'-二乙酸
• 常用英文名：2,2'-[1,4-Phenylenebis(oxy)]diacetic acid
• CAS号：2245-53-6
• 分子式：C₁₀H₁₀O₆
• 分子量：226.183
• 相关类别： 化学试剂 有机试剂 脂肪酸
• 发布时间：2018-06-26 13:12:04
• 更新时间：2024-01-03 13:55:08

名称

• 中文名: 氢醌-О,О'-二乙酸
• 英文名: hydroquinone-o,o'-diacetic acid
• 中文别名: 对苯二酚-O,O'-二乙酸; 氢醌-O,O'-二乙酸; 氢醌-O,O’-二乙酸
• 英文别名: q-linker; 2,2'-[1,4-Phenylenebis(oxy)]diacetic acid; benzene-1,4-dioxydiacetic acid; Hydroquinone-O,O'-diacetic acid; Acetic acid, 2,2'-[1,4-phenylenebis(oxy)]bis-; Hydroquinone-O,O′-diacetic acid; EINECS 218-834-0; MFCD00016816; HYDROQUINONE-2,2'-DIACETIC ACID; hydroquinone-O,O'-dioxydiacetic acid; 2,2'-(1,4-Phenylenebis(oxy))diacetic acid

物化性质

• 密度: 1.4±0.1 g/cm3
• 沸点: 449.7±25.0 °C at 760 mmHg
• 熔点: 248-251 °C
• 分子式: C₁₀H₁₀O₆
• 分子量: 226.183
• 闪点: 181.3±16.7 °C
• 精确质量: 226.047745
• PSA: 93.06000
• LogP: 0.51
• 蒸汽压: 0.0±1.2 mmHg at 25°C
• 折射率: 1.565
• 储存条件:

  保持容器密封，放入紧密的出藏器内，储存在阴凉，干燥的地方

• 稳定性:

  避免氧化物接触

• 分子结构:

  1、 摩尔折射率：52.00

  2、 摩尔体积（m³/mol）：159.7

  3、 等张比容（90.2K）：443.7

  4、 表面张力（dyne/cm）：59.6

  5、 极化率（10 ^-24cm ³）：20.61

• 计算化学:

  1.疏水参数计算参考值（XlogP）:无

  2.氢键供体数量:2

  3.氢键受体数量:6

  4.可旋转化学键数量:6

  5.互变异构体数量:无

  6.拓扑分子极性表面积93.1

  7.重原子数量:16

  8.表面电荷:0

  9.复杂度:218

  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：固体

  2. 密度（g/L,25ºC）：未确定

  3. 相对蒸汽密度（g/mL,空气=1）：未确定

  4. 熔点（ºC）：248-251

  5. 沸点（ºC,常压）：未确定

  6. 沸点（ºC 762mmHg）：未确定

  7. 折射率（nD20）：未确定

  8. 闪点（ºC）：未确定

  9. 比旋光度（）：未确定

  10. 自燃点或引燃温度（ºC）：未确定

  11. 蒸气压（Pa,25ºC）：未确定

  12. 饱和蒸气压（kPa,20ºC）：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: Hydroquinone-O O -diacetic acid Material Safety Data Sheet Synonym: CAS: 2245-53-6 Section 1 - Chemical Product MSDS Name:Hydroquinone-O O -diacetic acid Material Safety Data Sheet Synonym: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 2245-53-6 Hydroquinone-O,O'-diacetic acid 218-834-0 Hazard Symbols: XI 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# 2245-53-6: 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: 248 - 251 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: C10H10O6 Molecular Weight: 226.19 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# 2245-53-6 unlisted. LD50/LC50: Not available. Carcinogenicity: Hydroquinone-O,O'-diacetic 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 No information available. IMO No information available. RID/ADR No information available. 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# 2245-53-6: No information available. Canada CAS# 2245-53-6 is listed on Canada's NDSL List. CAS# 2245-53-6 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 2245-53-6 is listed on the TSCA inventory. SECTION 16 - ADDITIONAL INFORMATION N/A

毒性和生态

生态学数据: 对水是稍微有害的，不要让未稀释或大量的产品接触地下水，水道或者污水系统，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): 36/37/38
• 安全声明 (欧洲): S37/39-S26
• 海关编码: 2918990090

合成路线

80791-19-1 ~65% 2245-53-6

文献：Bezwada Biomedical, LLC Patent: US8053591 B2, 2011 ; Location in patent: Page/Page column 57-58 ;

79-11-8 123-31-9 ~88% 2245-53-6

文献：Wei, Taibao; Chen, Jichou; Wang, Xicun; Zhang, Youming; Wang, Lailai Synthetic Communications, 1996 , vol. 26, # 7 p. 1447 - 1454

5897-78-9 ~93% 2245-53-6

文献：Asakawa, Masumi; Ashton, Peter R.; Menzer, Stephan; Raymo, Francisco M.; Stoddart, J. Fraser; et al. Chemistry--A European Journal, 1996 , vol. 2, # 7 p. 877 - 893

105-36-2 123-31-9 ~92% 2245-53-6

文献：Song, Yuming; Chen, Huilin; Hu, Xinquan; Bai, Changmin; Zheng, Zhuo Tetrahedron Letters, 2003 , vol. 44, # 37 p. 7081 - 7085

123-31-9 ~% 2245-53-6

文献：Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, , vol. 45, # 5 p. 1312 - 1314

936257-20-4 ~% 2245-53-6

文献：US2009/170927 A1, ; Page/Page column 35-36 ;

936257-19-1 ~% 2245-53-6

文献：US2009/170927 A1, ; Page/Page column 35-36 ;

1878-84-8 79-11-8 ~% 2245-53-6

文献：Chimica Therapeutica, , vol. 5, p. 211 - 215

上下游产品

上游产品  6
80791-19-1 79-11-8 123-31-9 5897-78-9
105-36-2 1878-84-8
下游产品  3
1889-01-6 80791-19-1 5897-78-9

海关

海关编码	2918990090
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%