Diethyl succinate 琥珀酸二乙酯

CAS 123-25-1 MFCD00009208

化学结构图

123-25-1
SMILES: CCOC(=O)CCC(=O)OCC

化学属性

Mol. FormulaC8H14O4
Mol. Weight174.19
Density1.047
Refractive index1.4180 to 1.4210
Vapor Density6 (vs air)
Boiling Point218.4°C at 760 mmHg
Melting Point-20°C
Flash Point91°C
TSCAYes
Solubility不溶于水，易溶于乙醇、乙醚等。
pH:A

别名和识别编码

Chemical NameDiethyl succinate
Synonym Diethyl succinate {LY} Diethyl succinate {} {LY} Diethyl succinate {} {} {LY} Diethyl succinate {} {} {} {LY} Diethyl succinate {} {} {} {} {LY} Diethyl succinate {} {} {} {} {} {LY} Diethyl succinate {} {} {} {} {} {} {LY} Diethyl succinate {} {} {} {} {} {} {} {LY} Diethyl succinate {} {} {} {} {} {} {} {} {LY} Diethyl succinate {} {} {} {} {} {} {} {} {} {LY} Diethyl succinate {} {} {} {} {} {} {} {} {} {} {LY} Diethyl succinate {} {} {} {} {} {} {} {} {} {} {} {LY} Diethyl succinate {} {} {} {} {} {} {} {} {} {} {} {} {LY} Diethyl succinate {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Diethyl succinate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Diethyl succinate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Diethyl succinate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Diethyl succinate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY}
CAS Number123-25-1
EC Number204-612-0
Beilstein Registry Number907645
MDL NumberMFCD00009208
PubChem Substance ID31249
Merck Number14,8869
Reaxys-RN907645
Chemical Name Translation琥珀酸二乙酯
Wiswesser Line Notation2OV2VO2
LabNetwork Molecule IDLN00192991
InChIInChI=1S/C8H14O4/c1-3-11-7(9)5-6-8(10)12-4-2/h3-6H2,1-2H3
Canonical SMILESO=C(OCC)CCC(OCC)=O
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分类

  • {SNA} A-F, Alcoholic & Nonalcoholic Beverages, Alpha Sort, Analytical Standards, Analytical/Chromatography, Apple, Brandy & Cognac, Chemical Class, Chromatography, Cocoa, D, Environmental Standards, Ester,

产品应用

  • 用作溶剂；有机合成中间体；气相色谱固定液(最高使用温度60℃，溶剂为乙醚)。

相关文献及参考

  • Short: III/35E
  • For an example of the acyloin condensation under silylating conditions to give 2-hydroxycyclobutanone, see: Org. Synth. Coll., 6, 167 (1988). An alternative work-up with bromine leads directly to 1,2-cyclobutanedione: Org. Synth. Coll., 7, 112 (1990):
  • Undergoes the Stobbe condensation with carbonyl compounds to give alkylidene derivatives; review: Org. React., 6, 1 (1951). For the Stobbe condensation with benzophenone to give the monoester of the product, see: Org. Synth. Coll., 4, 132 (1963).
  • Merck: 14,8869
  • Merck: 14,8869 Beilstein:2,609
  • Short: II/27B

安全信息

Signal word Warning
GHS Symbol
WGK Germany2
Safety Statements
  • S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后，立即用大量水冲洗并征求医生意见；
  • S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护；
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；
Risk Statements
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
Precautionary statements
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P305+P351+P338
Personal Protective Equipment Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US) Eyeshields, Gloves, half-mask respirator (EU), half-mask respirator (US), multi-purpose combination respirator cartridge (US) Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
RTECSWM7400000
Storage condition 2-8°C {LY} 2-8°C {} {LY} 2-8°C {} {} {LY} 2-8°C {} {} {} {LY} 2-8°C {} {} {} {} {LY} 2-8°C {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {
Hazard Codes Xi 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 8530 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   AMIHBC AMA Archives of Industrial Hygiene and Occupational Medicine.
   (Chicago, IL)  V.2-10, 1950-54. For publisher information, see AEHLAU.
   Volume(issue)/page/year: 4,119,1951

其他信息

  • 用途二:用作气相色谱固定液，也用于塑料工业
  • FEMA:2377
  • 用途三:用作溶剂、食品加香剂、有机合成中间体、气相色谱固定液。
  • 用途一:用作食品加香剂、溶剂、有机合成中间体、气相色谱固定液
  • 方法一:由丁二酸与乙醇酯化而得。
  • 下游产品:2-氨基-7-甲氧基四氢萘 --> 颜料红 122 --> 2,5-二羟基对苯二甲酸 --> 灭草烟 --> 盐酸舍曲林 --> 1,4-环己二酮
  • Alfa Aesar:丁二酸二乙酯,98% Diethyl succinate, 98%(123-25-1)
  • 用途四:用作溶剂；食品加香剂；有机合成中间体；气相色谱固定液(最高使用温度60℃，溶剂为乙醚)。
  • 食品添加剂最大允许使用量最大允许残留量标准:添加剂中文名称 允许使用该种添加剂的食品中文名称 添加剂功能 最大允许使用量（g/kg） 最大允许残留量（g/kg） 丁二酸二乙酯 食品 食品用香料 用于配制香精的各香料成分不得超过在GB 2760中的最大允许使用量和最大允许残留量
  • TCI Shanghai:丁二酸二乙酯 Diethyl Succinate,>;99.0%(GC)(123-25-1)
  • 有愉快气味。能与乙醇、乙醚混溶，溶于丙酮，不溶于水。有刺激性。
  • 丁二酸二乙酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 30061726 丁二酸二乙酯 100ml 29元 2011/04/16 S0103 丁二酸二乙酯 Diethyl Succinate 500G 457元 2011/04/16 S0103 丁二酸二乙酯 Diethyl Succinate 25G 156元
  • MSDS 信息:丁二酸二乙酯(123-25-1).msds
  • 蒸气密度:6 (vs air)
  • 图谱信息:丁二酸二乙酯(123-25-1)核磁图( 1 HNMR) 丁二酸二乙酯(123-25-1)核磁图( 13 CNMR) 丁二酸二乙酯(123-25-1)质谱(MS) 丁二酸二乙酯(123-25-1)红外图谱(IR1)
  • 海关编码:29171990
  • Acros Organics:琥珀酸二乙酯 Diethyl succinate, 99%(123-25-1)
  • MOL 文件:123-25-1.mol
  • 上游原料:乙醇 --> 乙二醇 --> 丁二酸
  • 外观性质:无色澄清液体, 有特殊气味。
  • Sigma Aldrich:123-25-1(sigmaaldrich)

系列性分类

  1. Application Areas 应用领域分类
  2. Flavors and Fragrances 香精香料
  3. Kosher Certified Products - Flavors and Fragrances
  4. A-D - Kosher Certified Products
  1. Application Areas 应用领域分类
  2. Flavors and Fragrances 香精香料
  3. Alphabetical Listings - Flavors and Fragrances
  4. C-D - Alphabetical Listings
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Esters - Carbonyl Compounds
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Esters - Carbonyl Compounds
  6. C8 to C9 - Esters
  1. Analytical & Chromatography 分析化学与色谱
  2. Analytical Standards
  3. Chromatography - Analytical Standards
  4. Environmental Standards - Chromatography
  5. Volatiles/ Semivolatiles - Environmental Standards
  6. Alpha Sort - Volatiles/ Semivolatiles
  7. D - Alpha Sort
  1. Materials Science 材料科学
  2. Products for Polymer Science Research
  3. Polymer Additives - Polymer Science
  4. Plasticizers - Polymer Additives
  1. Analytical & Chromatography 分析化学与色谱
  2. Analytical Standards
  3. Chromatography - Analytical Standards
  4. Food & Beverage Standards - Chromatography
  5. Nutraceuticals - Food & Beverage Standards
  6. Flavors and Fragrances - Nutraceuticals
  7. A-F - Flavors and Fragrances
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Polymers
  4. Polymer Additives
  5. Crosslinking Agents and Additives for Epoxides
  1. Materials Science 材料科学
  2. Plasticizer

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