15026-17-2

• 常用中文名：单叔丁基琥珀酸酯
• 常用英文名：Succinic acid mono-tert-butyl ester
• CAS号：15026-17-2
• 分子式：C₈H₁₄O₄
• 分子量：174.194
• 相关类别： 化学试剂 有机试剂 酯类 酸酯类化合物
• 发布时间：2018-08-10 17:45:30
• 更新时间：2024-01-04 06:26:29
• 下载msds

名称

• 中文名: 琥珀酸单叔丁酯
• 英文名: 4-Tert-Butoxy-4-Oxobutanoic Acid
• 中文别名: 单叔丁基琥珀酸酯
• 英文别名: 4-(tert-Butoxy)-4-oxobutanoic acid; Butanedioic acid, mono(1,1-dimethylethyl) ester; mono-tert-Butyl succinate; 4-tert-Butoxy-4-oxobutanoic acid; 4-[(2-Methyl-2-propanyl)oxy]-4-oxobutanoic acid; 4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid; Succinic acid mono-tert-butyl ester; MFCD00273441

物化性质

• 密度: 1.1±0.1 g/cm3
• 沸点: 272.4±23.0 °C at 760 mmHg
• 熔点: 51-54ºC
• 分子式: C₈H₁₄O₄
• 分子量: 174.194
• 闪点: 104.3±16.1 °C
• 精确质量: 174.089203
• PSA: 63.60000
• LogP: 1.02
• 外观性状: Solid | Yellow-brown
• 蒸汽压: 0.0±1.2 mmHg at 25°C
• 折射率: 1.447
• 储存条件:

  贮存于阴凉处。保持容器密闭在干燥和通风良好的地方。

• 水溶解性: Slightly soluble in water.
• 计算化学:

  1.疏水参数计算参考值（XlogP）:0.5

  2.氢键供体数量:1

  3.氢键受体数量:4

  4.可旋转化学键数量:5

  5.互变异构体数量:无

  6.拓扑分子极性表面积63.6

  7.重原子数量:12

  8.表面电荷:0

  9.复杂度:178

  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：不可用

  2．密度（g/mL,25/4℃）：不可用

  3．相对蒸汽密度（g/mL,空气=1）：不可用

  4．熔点（ºC）：51-54

  5．沸点（ºC,常压）：不可用

  6．沸点（ºC,5.2kPa）：不可用

  7．折射率：不可用

  8．闪点（ºC）：>110

  9．比旋光度（º）：不可用

  10．自燃点或引燃温度（ºC）：不可用

  11．蒸气压（kPa,25ºC）：不可用

  12．饱和蒸气压（kPa,60ºC）：不可用

  13．燃烧热（KJ/mol）：不可用

  14．临界温度（ºC）：不可用

  15．临界压力（KPa）：不可用

  16．油水（辛醇/水）分配系数的对数值：不可用

  17．爆炸上限（%,V/V）：不可用

  18．爆炸下限（%,V/V）：不可用

  19．溶解性：不可用

MSDS

Material Safety Data Sheet Section1. Identification of the substance Product Name: Mono-tert-butyl succinate Synonyms: Section2. Hazards identification Harmful by inhalation, in contact with skin, and if swallowed. H315:Causes skin irritation H319:Causes serious eye irritation H335:May cause respiratory irritation P261:Avoid breathing dust/fume/gas/mist/vapours/spray P305+P351+P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present and easy to do – continue rinsing Section3. Composition/information on ingredients. Ingredient name:Mono-tert-butyl succinate CAS number:15026-17-2 Section4. First aid measures Skin contact:Immediately wash skin with copious amounts of water for at least 15 minutes while removing contaminated clothing and shoes. If irritation persists, seek medical attention. Eye contact:Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate flushing of the eyes by separating the eyelids with fingers. If irritation persists, seek medical attention. Inhalation:Remove to fresh air. In severe cases or if symptoms persist, seek medical attention. Ingestion:Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention. Section5. Fire fighting measures In the event of a fire involving this material, alone or in combination with other materials, use dry powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus should be worn. Section6. Accidental release measures Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national standards. Respiratory precaution:Wear approved mask/respirator Hand precaution:Wear suitable gloves/gauntlets Skin protection:Wear suitable protective clothing Eye protection:Wear suitable eye protection Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container for disposal. See section 12. Environmental precautions: Do not allow material to enter drains or water courses. Section7. Handling and storage Handling:This product should be handled only by, or under the close supervision of, those properly qualified in the handling and use of potentially hazardous chemicals, who should take into account the fire, health and chemical hazard data given on this sheet. Storage:Store in closed vessels, refrigerated. Section8. Exposure Controls / Personal protection Engineering Controls: Use only in a chemical fume hood. Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles. General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse. Section9. Physical and chemical properties Appearance:Not specified Boiling point:No data Melting point:No data Flash point:No data Density:No data Molecular formula: C8H14O4 Molecular weight: 174.2 Section10. Stability and reactivity Conditions to avoid: Heat, flames and sparks. Materials to avoid: Oxidizing agents. Possible hazardous combustion products: Carbon monoxide. Section11. Toxicological information No data. Section12. Ecological information No data. Section13. Disposal consideration Arrange disposal as special waste, by licensed disposal company, in consultation with local waste disposal authority, in accordance with national and regional regulations. Section14. Transportation information Non-harzardous for air and ground transportation. Section15. Regulatory information No chemicals in this material are subject to the reporting requirements of SARA Title III, Section 302, or have known CAS numbers that exceed the threshold reporting levels established by SARA Title III, Section 313. SECTION 16 - ADDITIONAL INFORMATION N/A

毒性和生态

毒理学数据: 急性毒性：不可用。 生态学数据: 1、其它有害作用：该物质对环境可能有危害，对水体应给予特别注意。

安全

• 符号: GHS07
• 信号词: Warning
• 危害声明: H315-H319-H335
• 警示性声明: P261-P305 + P351 + P338
• 个人防护装备: dust mask type N95 (US);Eyeshields;Gloves
• 危害码 (欧洲): Xi:Irritant;
• 风险声明 (欧洲): R36/37/38
• 安全声明 (欧洲): S26-S36
• 危险品运输编码: NONH for all modes of transport
• WGK德国: 3
• 海关编码: 2918990090

合成路线

15026-16-1 ~83% 15026-17-2

文献：Nelson, Michael E.; Priestley, Nigel D. Journal of the American Chemical Society, 2002 , vol. 124, # 12 p. 2894 - 2902

14734-25-9 ~70% 15026-17-2

文献：Salomon, Claudio J.; Mata, Ernesto G.; Mascaretti, Oreste A. Journal of Organic Chemistry, 1994 , vol. 59, # 24 p. 7259 - 7266

108-30-5 75-65-0 ~80% 15026-17-2

文献：Colombo, Raffaele; Mingozzi, Michele; Belvisi, Laura; Arosio, Daniela; Piarulli, Umberto; Carenini, Nives; Perego, Paola; Zaffaroni, Nadia; De Cesare, Michelandrea; Castiglioni, Vittoria; Scanziani, Eugenio; Gennari, Cesare Journal of Medicinal Chemistry, 2012 , vol. 55, # 23 p. 10460 - 10474

5292-43-3 ~% 15026-17-2

文献：Journal of the American Chemical Society, , vol. 124, # 12 p. 2894 - 2902

110-15-6 75-65-0 ~16% 15026-17-2

文献：Ogawa, Yoshikatsu; Kodaka, Masato; Okuno, Hiroaki Chemistry and Physics of Lipids, 2002 , vol. 119, # 1-2 p. 51 - 68

59524-02-6 ~% 15026-17-2

文献：US5175257 A1, ;

926-26-1 ~% 15026-17-2

文献：Journal of Organic Chemistry, , vol. 33, p. 838 - 840

1207973-75-8 64916-53-6 ~% 15026-17-2

文献：Tetrahedron Asymmetry, , vol. 7, # 6 p. 1797 - 1810

540-88-5 79-08-3 ~% 15026-17-2

文献：Synthesis, , # 9 p. 710 - 713

上下游产品

上游产品  10
15026-16-1 14734-25-9 108-30-5 75-65-0
5292-43-3 110-15-6 59524-02-6 926-26-1
1207973-75-8 64916-53-6
下游产品  6
432037-43-9 59854-12-5 1663-39-4 51534-77-1
110-15-6 115-11-7

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%