Ethyl Pyruvate 丙酮酸乙酯

CAS 617-35-6 MFCD00009123

化学结构图

617-35-6
SMILES: CCOC(=O)C(C)=O

化学属性

Mol. FormulaC5H8O3
Mol. Weight116.12
Refractive index1.4030 to 1.4060
Boiling Point142-144°C at 760 mmHg
Density1.045
Flash Point46°C
TSCAYes
Melting Point-58 °C
Appearance 1.4050,相对密度 1.060,溶于有机溶剂。 1.4040,相对密度 1.130,溶于醇、酮等有机溶剂。 D 20 丙酮酸甲酯为黄色透明液体,[CAS 600-22-6] b.p.134~137℃,n 丙酮酸乙酯为黄色透明液体,b.p.144℃,n

别名和识别编码

Chemical NameEthyl Pyruvate
CAS Number617-35-6
Synonym Ethyl pyruvate {LY} Ethyl pyruvate {} {LY} Ethyl pyruvate {} {} {LY} Ethyl pyruvate {} {} {} {LY} Ethyl pyruvate {} {} {} {} {LY} Ethyl pyruvate {} {} {} {} {} {LY} Ethyl pyruvate {} {} {} {} {} {} {LY} Ethyl pyruvate {} {} {} {} {} {} {} {LY} Ethyl pyruvate {} {} {} {} {} {} {} {} {LY} Ethyl pyruvate {} {} {} {} {} {} {} {} {} {LY} Ethyl pyruvate {} {} {} {} {} {} {} {} {} {} {LY} Ethyl pyruvate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl pyruvate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl pyruvate {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl pyruvate {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl pyruvate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl pyruvate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
PubChem Substance ID12041
EC Number210-511-2
Beilstein Registry Number1071466
MDL NumberMFCD00009123
Reaxys-RN1071466
Merck Number8021
Chemical Name Translation丙酮酸乙酯
LabNetwork Molecule IDLN00195838
InChIInChI=1S/C5H8O3/c1-3-8-5(7)4(2)6/h3H2,1-2H3
Canonical SMILESCC(C(OCC)=O)=O
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分类

  • {uni_hamburg} no charge; ester; ketone; 1fragment
  • {SNA} Alphabetical Listings, E-F, Flavors and Fragrances, Halal Certified Products
  • Building Blocks, C2 to C5, Carbonyl Compounds, Chemical Synthesis, Esters, Organic Building Blocks
  • {SNA} Alphabetical Listings, E - H, E-F, Flavors and Fragrances, Halal Certified Products
  • {SNA} Alphabetical Listings, Certified Food Grade Products, Certified Natural Products, E - H, E-F, E-G, E-H, Flavors and Fragrances, Halal Certified Products, Kosher Certified Products
  • {SNA} Alphabetical Listings, Certified Food Grade Products,

产品应用

  • 用于有机合成。

相关文献及参考

  • Kim, J., et al.: J. Neurosci. Res., 86, 1125 (2008),
  • Short: III/35E
  • Feeney, D., et al.: Brain Res., 211, 67 (1981),
  • Merck: 14,8021
  • Scaffidi, P., et al.: Nature, 418, 191 (2002),
  • Merck: 14,8021 Beilstein:3,616
  • 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
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Signal word Warning
Safety Statements
  • S16 Keep away from sources of ignition - No smoking 远离火源,禁止吸烟;
Risk Statements
  • 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
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。
  • P211 Do not spray on an open flame or other ignition source.? 不要喷洒在明火或其他点火源。
  • 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。
  • 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。
  • P303+P361+P353
  • P370+P378
  • P403+P235
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
UN Number 3272
Packing GroupIII
Hazard Codes 3
Hazard Class3
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 {} {} {} {} {} {} {} {} {} {} {

其他信息

  • 所属类别二:食品添加剂: 食用香料(增香剂): 天然等同香料和人造香
  • 参考质量标准:FAO/WHO,2001 含量(GT-10-4) ≥95% 酸值(OT-4) ≤2.0 折射率(n D 20 ) 1.403~1.409 相对密度(d 25 25 ) 1.044~1.065
  • Acros Organics:丙酮酸乙酯 Ethyl pyruvate, 98%(617-35-6)
  • Hazard Note:Flammable/Irritant
  • {Chemic
  • 丙酮酸乙酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 P0891 丙酮酸乙酯 Ethyl Pyruvate 500ML 1050元 2014/06/02 P0891 丙酮酸乙酯 Ethyl Pyruvate 25ML 156元 2010/06/21 118945000 丙酮酸乙酯 Ethyl
  • 下游产品:丙酮酸 --> 5-硝基吲哚 --> 5-氨基-2-吲哚 羧酸 --> 5-氨基-1H-吲哚-2-羧酸乙酯 --> (1-(4-羟甲基-6-三氟甲基嘧啶-2-基)哌啶-4-基)甲醇 --> 2-(4-羟基哌啶-1-基)-6-三氟甲基嘧啶-4-甲酰胺 --> 2-(4-羟甲基哌啶-1-基)-6-三氟甲基嘧啶-4-甲酰胺 --> 1-(4-羟甲基-6-三氟甲基嘧啶-2-基)哌啶-4-醇 --> 1-甲基-5-硝基-1H-吲哚 --> 2-(4-乙氧基羰基哌嗪-1-基)-6-三氟甲基嘧啶-4-甲酸乙酯 --> (2-(4-甲基哌嗪-1-基)-6-三氟甲基嘧啶-4-基)甲胺 --> 2-(4-羟甲基哌啶-1-基)-6-三氟甲基嘧啶-4-甲酸乙酯 --> 2-(4-羟基哌啶-1-基)-6-三氟甲基嘧啶-4-甲酸乙酯 --> 2-(4-甲基哌嗪-1-基)-6-三氟甲基嘧啶-4-甲醛 --> 2-(4-甲基哌嗪-1-基)-6-三氟甲基嘧啶-4-甲酰胺 --> (2-(4-甲基哌嗪-1-基)-6-三氟甲基嘧啶-4-基)甲醇 --> 2-(4-甲基哌嗪-1-基)-6-三氟甲基嘧啶-4-胺 --> 2-(4-甲基哌嗪-1-基)-6-三氟甲基嘧啶-4-甲腈 --> 2-(4-甲基哌嗪-1-基)-6-三氟甲基嘧啶-4-甲酸乙酯 --> 2-(4-甲基哌嗪-1-基)-6-三氟甲基嘧啶-4-甲酸 --> (1,2,3
  • Alfa Aesar:丙酮酸乙酯,98+% Ethyl pyruvate, 98%(617-35-6)
  • 使用限量:FEMA(mg/kg):饮料50;冷饮20~150;糖果35;焙烤制品40。 适量为限(FDA,§172.515,2001)。
  • 用途三:用于有机合成。
  • 所属类别一:农药中间体:
  • 方法一:其制备方法有以下几种。 乳酸乙酯气相氧化 乳酸乙酯气相氧化是在催化剂存在下进行,其中MoO 3 作催化剂显示较其他金属氧化物的选择性要高,另外二元氧化物催化剂其中含有钼的氧化物如Fe 2 O 3 -MoO 3 和TeO 2 -MoO 3 对合成丙酮酸酯具有很高的选择性(温度300℃,选择性超过90%),如果用SnO 2 -MoO 3 为催化剂可以在较低的温度250℃下进行。SnO 2 -MoO 3 催化剂也可作为乳酸酯液相氧化的催化剂,反应温度130℃,反应时间3h,乳酸乙酯的转化率为38.4%,选择性为98.9%,生成丙酮酸乙酯。 乳酸乙酯液相氧化 乳酸乙酯在少量溴为催化剂的存在下液相氧化,用H 2 O 2 为氧化剂进行氧化,例如将50%H 2 O 2 滴加至搅拌并光照的含有乳酸乙酯、溴的二氯甲烷溶液中,反应温度25℃,H 2 O 2 滴加时间约1.5h,滴加完后再继续反应3h,该溶液用NaHCO 3 中和并用Na 2 SO 3 溶液洗涤,破坏和去除过氧化乳酸乙酯,然后浓缩减压蒸馏得丙酮酸乙酯。 丙烯酸酯氧化 丙烯酸酯在Cr或V化合物催化剂存在下以H 2 O 2 氧化生成丙酮酸酯,如丙烯酸异丙酯在三乙酰乙酸铬存在下,在乙腈溶剂中搅拌加入H 2 O 2 ,反应温度50℃,8h得到丙酮酸异丙酯,选择性为99.1%,转化率87.9%。又如丙烯酸甲酯在三乙酰乙酸铬或铬酸存在下加入三乙胺反应20h,温度40℃,选择性72%,转化率82%,得到丙酮酸甲酯。 另外,丙酮醛和甲醇在磷酸镍催化剂存在下气相反应,可得到丙酮酸甲酯。

系列性分类