Diethyl fumarate 富马酸二乙酯

CAS 623-91-6 MFCD00064455

化学结构图

623-91-6
SMILES: CCOC(=O)/C=C/C(=O)OCC

化学属性

Mol. FormulaC8H12O4
Mol. Weight172.18
Refractive index1.4390 to 1.4430
Boiling Point218-219 °C at 760 mmHg
Density1.052
Melting Point1-2 °C
Flash Point111°C(lit.)
TSCAYes
Solubility不溶
pH:A

别名和识别编码

Chemical NameDiethyl Fumarate
CAS Number623-91-6
PubChem Substance ID638144
EC Number210-819-7
Beilstein Registry Number775347
MDL NumberMFCD00064455
Reaxys-RN775347
Synonym Diethyl fumarate {LY} Diethyl fumarate diethyl fumarate fumaric acid, diethyl ester {} {LY} Diethyl fumarate {} {} {LY} Diethyl fumarate {} {} {} {LY} Diethyl fumarate {} {} {} {} {LY} Diethyl fumarate {} {} {} {} {} {LY} Diethyl fumarate {} {} {} {} {} {} {LY} Diethyl fumarate {} {} {} {} {} {} {} {LY} Diethyl fumarate {} {} {} {} {} {} {} {} {LY} Diethyl fumarate {} {} {} {} {} {} {} {} {} {LY} Diethyl fumarate {} {} {} {} {} {} {} {} {} {} {LY} Diethyl fumarate {} {} {} {} {} {} {} {} {} {} {} {LY} Diethyl fumarate {} {} {} {} {} {} {} {} {} {} {} {} {LY} Diethyl fumarate {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Diethyl fumarate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Diethyl fumarate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Diethyl fumarate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Diethyl fumarate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} D
Chemical Name Translation富马酸二乙酯
Wiswesser Line Notation2OV1U1VO2
LabNetwork Molecule IDLN00009942
InChIInChI=1S/C8H12O4/c1-3-11-7(9)5-6-8(10)12-4-2/h5-6H,3-4H2,1-2H3/b6-5+
Canonical SMILESO=C(OCC)/C=C/C(OCC)=O
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分类

  • {uni_hamburg} no charge; ester; 1fragment
  • Alphabetic, Analytical Standards, Analytical/Chromatography, Building Blocks, C8 to C9, Carbonyl Compounds, Chemical Synthesis, D, DID - DIN, Esters, Organic Building Blocks
  • {SNA} Building Blocks, C8 to C9,

产品应用

  • 有机合成。溶剂。

相关文献及参考

  • Cathodic reduction in ethanol leads to electro-hydrodimerization to tetraethyl butane-1,2,3,4-tetracarboxylate: Org. Synth. Coll., 7, 479 (1990).
  • Beilstein:2,742
  • Short: IV/16
  • Short: III/38B
  • Short: II/5
  • {uni_hamburg

安全信息

GHS Symbol
WGK Germany3
Hazard statements
  • H302 Harmful if swallowed 吞食有害
  • H315 Causes skin irritation 会刺激皮肤
  • H317 May cause an allergic skin reaction 可能导致皮肤过敏
  • H318 Causes serious eye damage 严重伤害眼睛
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
  • H373 May causes damage to organs through prolonged or repeated exposure 长期或频繁接触可能会损伤器官
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Hazard Codes Xn
RTECSEM5950000
Signal word Warning
Safety Statements
  • S23 Do not breathe gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer) 不要吸入气体/烟雾/蒸汽/喷雾；
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；
Risk Statements
  • R22 Harmful if swallowed 吞咽有害
  • 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
  • P260 Do not breathe dust/fume/gas/mist/vapours/spray. 不要吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P262 Do not get in eyes, on skin, or on clothing. 不要接触眼睛，皮肤或衣服。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西，喝水或吸烟。
  • P271 Use only outdoors or in a well-ventilated area.? 只能在室外或通风良好的地方使用。
  • P272 Contaminated work clothing should not be allowed out of the workplace. 污染的工作服不得带出工作场所。
  • P273 Avoid release to the environment. 避免释放到环境中。
  • P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
  • P301+P312
  • P301+P312+P330
  • P301+P317
  • P302+P352
  • P304+P340
  • P305+P351+P338
  • P308+P311
  • P308+P316
  • P309+P311
  • P310 Immediately call a POISON CENTER or doctor/physician. 立即呼救解毒中心或医生/医师。
  • P312 Call a POISON CENTER or doctor/physician if you feel unwell. 如果你感觉不适，呼叫解毒中心或医生/医师。
  • P314 Get medical advice/attention if you feel unwell. 获取医疗咨询/就医，如果你觉得不舒服
  • P319
  • P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
  • P330 Rinse mouth. 漱口
  • P332+P313
  • P332+P317
  • P333+P313
  • P333+P317
  • P362 Take off contaminated clothing and wash before reuse. 脱掉污染的衣服，清洗后方可重新使用
  • P362+P364
  • P403+P233
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 1780 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   AIHAAP American Industrial Hygiene Association Journal.  (AIHA, 475 Wolf
   Ledges Pkwy., Akron, OH 44311)  V.19-    1958-  Volume(issue)/page/year:
   23,95,1962

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 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

其他信息

  • MOL 文件:623-91-6.mol
  • 用途一:用作有机合成中间体及溶剂。
  • Sigma Aldrich:623-91-6(sigmaaldrich)
  • 上游原料:富马酸
  • 图谱信息:富马酸二乙酯(623-91-6)红外图谱(IR1) 富马酸二乙酯(623-91-6)Raman光谱 富马酸二乙酯(623-91-6)红外图谱(IR2) 富马酸二乙酯(623-91-6)核磁图( 1 HNMR) 富马酸二乙酯(623-91-6)核磁图( 13 CNMR) 富马酸二乙酯(623-91-6)质谱(MS)
  • 溶于乙醇和乙醚，微溶于水。
  • Alfa Aesar:反-丁烯二酸二乙酯,98% Diethyl fumarate, 98%(623-91-6)
  • TCI Shanghai:反-丁烯二酸二乙酯 Diethyl Fumarate,>;98.0%(GC)(623-91-6)
  • 方法一:由反丁烯二酸与乙醇在硫酸催化下酯化而得。
  • 外观性质:白色结晶或液体。
  • Acros Organics:富马酸二乙酯(延胡索酸二乙酯) Diethyl fumarate, 98%(623-91-6)
  • 海关编码:29171990
  • MSDS 信息:富马酸二乙酯(623-91-6).msds
  • 富马酸二乙酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 F0068 富马酸二乙酯 Diethyl Fumarate 25ML 152元 2014/06/02 F0068 富马酸二乙酯 Diethyl Fumarate 500ML 827元 2010/06/21 114382500 富马酸二乙酯 Diethyl fumarate 98% 250 GR 746元

系列性分类

  1. Analytical & Chromatography 分析化学与色谱
  2. Analytical Standards
  3. Alphabetic - Analytical Standards
  4. D - Alphabetic
  5. DID - DIN - D
  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. 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. 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
  6. C6 to C7

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