Ethyl 2-mercaptoacetate, 99% 巯基乙酸乙酯

CAS 623-51-8 MFCD00004874

化学结构图

623-51-8
SMILES: CCOC(=O)CS

化学属性

Mol. FormulaC4H8O2S
Mol. Weight120.17
Refractive index1.4550 to 1.4610
Boiling Point157.8°C at 760 mmHg
Density1.096
Flash Point47.8°C
TSCAYes
Melting Point-80°C
Stability对光敏感
Appearance 无色液体。沸点156-158℃，55℃（2.27千帕）。相对密度1.096。折光率1.4571。闪点47℃。在空气中氧化，遇氨及氯化铁即呈暗红色并逐渐变成紫色。

别名和识别编码

Chemical NameEthyl 2-mercaptoacetate, 99%
Synonym Ethyl 2-mercaptoacetate {LY} Ethyl 2-mercaptoacetate {} {LY} Ethyl 2-mercaptoacetate {} {} {LY} Ethyl 2-mercaptoacetate {} {} {} {LY} Ethyl 2-mercaptoacetate {} {} {} {} {LY} Ethyl 2-mercaptoacetate {} {} {} {} {} {LY} Ethyl 2-mercaptoacetate {} {} {} {} {} {} {LY} Ethyl 2-mercaptoacetate {} {} {} {} {} {} {} {LY} Ethyl 2-mercaptoacetate {} {} {} {} {} {} {} {} {LY} Ethyl 2-mercaptoacetate {} {} {} {} {} {} {} {} {} {LY} Ethyl 2-mercaptoacetate {} {} {} {} {} {} {} {} {} {} {LY} Ethyl 2-mercaptoacetate {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl 2-mercaptoacetate {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl 2-mercaptoacetate {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl 2-mercaptoacetate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl 2-mercaptoacetate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl 2-mercaptoacetate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl 2-mercaptoacetate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
CAS Number623-51-8
PubChem Substance ID12185
EC Number210-800-3
Beilstein Registry Number605581
MDL NumberMFCD00004874
Reaxys-RN605581
Chemical Name Translation巯基乙酸乙酯
Wiswesser Line NotationSH1VO2
LabNetwork Molecule IDLN00220235
InChIInChI=1S/C4H8O2S/c1-2-6-4(5)3-7/h7H,2-3H2,1H3
Canonical SMILESO=C(CS)OCC
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分类

  • {SA} Building Blocks, C2 to C5, Carbonyl Compounds, Chemical Synthesis, Esters, Organic Building Blocks
  • Building Blocks, C2 to C5, Carbonyl Compounds, Chemical Synthesis, Esters, Organic Building Blocks
  • {uni_hamburg} no charge; ester; thiol; 1fragment

产品应用

  • 本品为测定铁的试剂。

相关文献及参考

  • Beilstein:3,255
  • Short: EINECS
  • Reaction of the dilithio-derivative with an aldehyde, followed by conversion to the episulfide by reaction with ethyl chloroformate, and desulfurization with triethyl phosphite, leads to the (E)-2-alkenoic acid with high stereoselectivity: Synthesis, 127 (1983):
  • Short: III/38B

安全信息

GHS Symbol
WGK Germany3
Hazard statements
  • H226 Flammable liquid and vapour 易燃液体和蒸气
  • H315 Causes skin irritation 会刺激皮肤
  • H301 Toxic if swallowed 吞食有毒
  • H319 Causes serious eye irritation 严重刺激眼睛
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Hazard Codes T
RTECSAI6650000
Precautionary statements
  • 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+P310+P330
  • P233 Keep container tightly closed. ?保持容器密闭。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
  • 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
  • P210 Keep away from heat/sparks/open flames/hot surfaces. — No smoking. 远离热源/火花/明火/热的表面。——禁止吸烟。
  • P405 Store locked up. 上锁保管。
  • P301+P310
  • P303+P361+P353
Signal word
Safety Statements
Risk Statements
  • R25 Toxic if swallowed 吞咽有毒
  • R36/38 Irritating to eyes and skin 对眼睛和皮肤有刺激性
  • R10 Flammable 易燃
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
UN Number UN1228 1228
Storage condition 2-8°C {LY} 2-8°C Air Sensitive Flammables area {} {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}
Packing GroupIII
Hazard Class3/6.1 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 100 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NTIS** National Technical Information Service.  (Springfield, VA 22161)
   Formerly U.S. Clearinghouse for Scientific & Technical Information.
   Volume(issue)/page/year: AD277-689

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 178 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   ZHYGAM Zeitschrift fuer die Gesamte Hygiene und Ihre Grenzgebiete.  (VEB
   Verlag Volk und Gesundheit, Neue Gruenstr. 18, Berlin DDR-1020, Ger. Dem.
   Rep.)  V.1-    1955-  Volume(issue)/page/year: 20,575,1974

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 176 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   ZHYGAM Zeitschrift fuer die Gesamte Hygiene und Ihre Grenzgebiete.  (VEB
   Verlag Volk und Gesundheit, Neue Gruenstr. 18, Berlin DDR-1020, Ger. Dem.
   Rep.)  V.1-    1955-  Volume(issue)/page/year: 20,575,1974

其他信息

  • 上游原料:巯基乙酸
  • Acros Organics:2-巯基乙酸乙酯 Ethyl 2-mercaptoacetate, 99%(623-51-8)
  • 下游产品:如氟沙星 --> 4-氯噻吩并[3,2-d]嘧啶 --> 氟氧头孢 --> 6-氯苯并[b]噻吩-2-甲酸乙酯
  • 用途一:本品为测定铁的试剂。
  • MOL 文件:623-51-8.mol
  • 巯基乙酸乙酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 T0211 巯基乙酸乙酯 Ethyl Thioglycolate 500G 1500元 2014/06/02 T0211 巯基乙酸乙酯 Ethyl Thioglycolate 25G 176元 2010/06/21 118675000 巯基乙酸乙酯 Ethyl 2-mercaptoacetate 99% 500 GR 604元
  • Alfa Aesar:巯基乙酸乙酯,98+% Ethyl mercaptoacetate, 98+%(623-51-8)
  • 方法一:由硫代乙醇酸与乙醇在硫酸存在下酯化而得。将硫代乙醇酸、乙醇、硫酸加热回流24小时，分出酯层，用饱和食盐水洗四次，再用无水硫酸钠干燥24小时。常压分馏，收集155-158℃馏分即得成品。
  • 图谱信息:巯基乙酸乙酯(623-51-8)红外图谱(IR1) 巯基乙酸乙酯(623-51-8)质谱(MS) 巯基乙酸乙酯(623-51-8)核磁图( 13 CNMR) 巯基乙酸乙酯(623-51-8)核磁图( 1 HNMR)
  • Sigma Aldrich:623-51-8(sigmaaldrich)
  • TCI Shanghai:巯基乙酸乙酯 Ethyl Thioglycolate,>;97.0%(GC)(623-51-8)
  • 不溶于水，溶于乙醇和丙酮。在空气中氧化，遇氨及氯化铁即呈暗红色并逐渐变成紫色。
  • 敏感性:Air Sensitive

系列性分类

  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. C2 to C5 - 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. C12 to C63

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