Methylpyruvate 丙酮酸甲酯

CAS 600-22-6 MFCD00008754

化学结构图

600-22-6
SMILES: COC(=O)C(C)=O

化学属性

Mol. FormulaC4H6O3
Mol. Weight102.09
Refractive index1.4020 to 1.4050
Boiling Point134-137°C
Density1.107
Flash Point47°C
TSCANo
Appearance liquid 无色液体。沸点136-137℃。
Danger-Level乙类
Melting Point-22 °C

别名和识别编码

Chemical NameMethylpyruvate
Synonym Methyl 2-oxopropanoate {LY} Methyl 2-oxopropanoate {} {LY} Methyl 2-oxopropanoate {} {} {LY} Methyl 2-oxopropanoate {} {} {} {LY} Methyl 2-oxopropanoate {} {} {} {} {LY} Methyl 2-oxopropanoate {} {} {} {} {} {LY} Methyl 2-oxopropanoate {} {} {} {} {} {} {LY} Methyl 2-oxopropanoate {} {} {} {} {} {} {} {LY} Methyl 2-oxopropanoate {} {} {} {} {} {} {} {} {LY} Methyl 2-oxopropanoate {} {} {} {} {} {} {} {} {} {LY} Methyl 2-oxopropanoate {} {} {} {} {} {} {} {} {} {} {LY} Methyl 2-oxopropanoate {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl 2-oxopropanoate {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl 2-oxopropanoate {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl 2-oxopropanoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl 2-oxopropanoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl 2-oxopropanoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl 2-o
CAS Number600-22-6
PubChem Substance ID11748
EC Number209-987-4
Beilstein Registry Number1361953
MDL NumberMFCD00008754
Reaxys-RN1361953
Merck Number14,8021
Chemical Name Translation丙酮酸甲酯
LabNetwork Molecule IDLN00008593
InChIInChI=1S/C4H6O3/c1-3(5)4(6)7-2/h1-2H3
Canonical SMILESCC(C(OC)=O)=O
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分类

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

相关文献及参考

  • Merck 14 ,8021
  • Beil. 1 ,IV,4146
  • FT-IR 1 (1), 684:A / FT-NMR 1 (1), 1095:A / RegBook 1 (1), 785:B / Structure Index 1 , 122:D:6
  • Short: III/35E Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts for Oxygen-17 Author: Duddeck, H.; Toth, G.; Simon, A. Editor: Gupta, R.R.; Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/35E Year: 2002 Keyword: Alipathic and Aromatic hydrocarbons; Coupling constant j; Nuclear Magnetic Resonance; chemical shifts δ ISBN: 3-540-42501-2 ISBN: 978-3-540-42501-4 Internet Resource: DOI:10.1007/b92953 RefComment: VII, 230 pages. With CD-ROM., Hardcover Abstract: This volume provides a comprehensive and evaluated compilation of nuclear magnetic resonance data. Chemical shifts and coupling constants of boron-11 and phosphorus-31 (subvol. A), fluorine-19 and nitrogen-15 (subvol. B), hydrogen-1 (subvol. C), carbon-13 (subvol. D), and oxygen-17 (subvol. E) compounds are tabulated together with the gross- and structure formulas and the most readily available solvents. Due to the large amount of the data merely chemical shifts are presented in the printed versions, and all the data, chemical shifts and coupling constants are provided on CD-ROM's.
  • Short: III/38B Title: Refractive Indices of Organic Liquids Author: Wohlfarth, Ch.; Wohlfarth, B. Editor: Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/38B Year: 1996 Keyword: organic compounds; refractive index; liquids ISBN: 3-540-60596-7 ISBN: 978-3-540-60596-6 Internet Resource: DOI:10.1007/b85533 RefComment: VII, 4210 pages, Hardcover Abstract: Volume III/38 Optical Constants provides critically evaluated data on refractive indices of inorganic and organic liquids and their wavelength dependence (dispension). Part A contains the inorganic, organometallic, and organononmetallic liquids, and the binary liquid mixtures (about 900 pure substances and their mixture

安全信息

GHS Symbol
WGK Germany3
Hazard statements
  • H226 Flammable liquid and vapour 易燃液体和蒸气
  • 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
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Signal word
UN Number
Precautionary statements
  • 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。
  • P233 Keep container tightly closed. ?保持容器密闭。
  • P240 Ground/bond container and receiving equipment. 与地面接触/连接集装箱和接受设备。
  • P241 Use explosion-proof electrical/ventilating/lighting/…/equipment. 使用防爆电气/通风/照明/ .../设备。
  • P241+P242+P243
  • P242 Use only non-sparking tools. 只能使用无火花工具。
  • P243 Take precautionary measures against static discharge. 采取预防措施，防止静电放电。
  • 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+P265
  • 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。
  • 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。
  • P302+P352
  • P303+P361+P353
  • P304+P340
  • P305+P351+P338
  • P305+P354+P338
  • 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。
  • P317
  • P319
  • P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
  • P333+P313
  • P362+P364
  • P363 Wash contaminated clothing before reuse. 被污染的衣服洗净后方可重新使用。
  • P370+P378
  • P403+P233
  • P403+P235
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Risk Statements
  • R10 Flammable 易燃
Packing GroupIII
Safety Statements
Hazard Codes Xi
Hazard Class3
Storage condition Store at room temperature {LY} Store at room temperature {} {LY} Store at room temperature {} {} {LY} Store at room temperature {} {} {} {LY} Store at room temperature {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

其他信息

  • Sigma Aldrich:600-22-6(sigmaaldrich)
  • 下游产品:溴代丙酮酸甲酯
  • color:yellow cast
  • 上游原料:甲醇 --> 丙酮酸 --> 对甲苯
  • 用途一:用作医药的原料和农药中间体
  • Alfa Aesar:丙酮酸甲酯,98% Methyl pyruvate, 98%(600-22-6)
  • 方法一:将88g（1mol）新蒸的丙酮酸、128g（4mol）无水甲醇、350ml和0.2g对甲苯磺酸一起加热回流过夜，在继续加流过程中，将回流液分层，不断放出下层液，直到回流液验以分层为止。将反应液分馏，收集136-140℃馏分，得丙酮酸甲酯，收率65-71%。
  • MSDS 信息:Methyl pyruvate(600-22-6).msds
  • 丙酮酸甲酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 P0580 丙酮酸甲酯 Methyl Pyruvate 25ML 264元 2014/06/02 P0580 丙酮酸甲酯 Methyl Pyruvate 500ML 1260元 2010/06/21 127655000 丙酮酸甲酯 Methyl pyruvate 94% 500 GR 4295元
  • 用途二:用于有机合成。
  • TCI Shanghai:丙酮酸甲酯 Methyl Pyruvate,>;97.0%(GC)(600-22-6)
  • F:10-21
  • 图谱信息:丙酮酸甲酯(600-22-6)红外图谱(IR1) 丙酮酸甲酯(600-22-6)核磁图( 1 HNMR) 丙酮酸甲酯(600-22-6)Raman光谱 丙酮酸甲酯(600-22-6)核磁图( 13 CNMR) 丙酮酸甲酯(600-22-6)质谱(MS)
  • Acros Organics:丙酮酸甲酯 Methyl pyruvate, 94%(600-22-6)
  • MOL 文件:600-22-6.mol

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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