Ethyl-3-oxopentanoate 丙酰乙酸乙酯

CAS 4949-44-4 MFCD00009317

化学结构图

4949-44-4
SMILES: CCOC(=O)CC(=O)CC

化学属性

Mol. FormulaC7H12O3
Mol. Weight144.17
Boiling Point193°C at 760 mmHg
TSCAT
Refractive index1.4220 to 1.4270
Density1.012
Flash Point78°C
Stability对热敏感
Melting Point98 °C

别名和识别编码

Chemical NameEthyl-3-oxopentanoate
CAS Number4949-44-4
Alfabeta NameETHYLPROPIONYLACETATE
MDL NumberMFCD00009317
Synonym Ethyl 3-oxopentanoate {LY} Ethyl 3-oxopentanoate {} {LY} Ethyl 3-oxopentanoate {} {} {LY} Ethyl 3-oxopentanoate {} {} {} {LY} Ethyl 3-oxopentanoate {} {} {} {} {LY} Ethyl 3-oxopentanoate {} {} {} {} {} {LY} Ethyl 3-oxopentanoate {} {} {} {} {} {} {LY} Ethyl 3-oxopentanoate {} {} {} {} {} {} {} {LY} Ethyl 3-oxopentanoate {} {} {} {} {} {} {} {} {LY} Ethyl 3-oxopentanoate {} {} {} {} {} {} {} {} {} {LY} Ethyl 3-oxopentanoate {} {} {} {} {} {} {} {} {} {} {LY} Ethyl 3-oxopentanoate {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl 3-oxopentanoate {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl 3-oxopentanoate {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl 3-oxopentanoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl 3-oxopentanoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl 3-oxopentanoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl 3-oxopent
PubChem Substance ID87571964
EC Number225-593-5
Beilstein Registry Number3(4)1559
Reaxys-RN970270
Chemical Name Translation丙酰乙酸乙酯
InChIKeyUDRCONFHWYGWFI-UHFFFAOYSA-N
LabNetwork Molecule IDLN00009924
Canonical SMILESCCOC(CC(CC)=O)=O
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分类

  • {SNA} Building Blocks, C6 to C7, Carbonyl Compounds, Chemical Synthesis, Esters, Organic Building Blocks
  • {uni_hamburg} no charge; ester; ketone; 1fragment
  • Building Blocks, C6 to C7, Carbonyl Compounds, Chemical Synthesis, Esters, Organic Building Blocks

产品应用

  • An intermediate of Rosuvastatin.

相关文献及参考

  • Beil. 3 ,IV,1559
  • Aldrich MSDS 1 , 931:D / Corp MSDS 1 (1), 1650:D / FT-IR 1 (1), 689:D / FT-IR 2 (1), 1153:C / FT-NMR 1 (1), 1102:A / NMR-Reference 2 (1), 581:C / RegBook 1 (1), 789:A / Structure Index 1 , 123:A:4
  • 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 l

安全信息

Warnings IRRITANT
GHS Symbol
WGK Germany3
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
  • H227 Combustible liquid 可燃液体
Personal Protective Equipment Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Hazard Codes Xi
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。
  • 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
  • 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。
  • P332+P313
  • P370+P378
  • P305+P351+P338+P337+P313
  • P302+P352+P332+P313+P362+P364
  • P403+P235
Signal word
Safety Statements
  • S36 Wear suitable protective clothing 穿戴适当的防护服；
  • 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；
  • S37 Wear suitable gloves 戴适当手套；
  • 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；
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
Storage condition 2-8°C {LY} 2-8°C Refrigerator Store at room temperature {} {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

  • Acros Organics:丙酰乙酸乙酯 Ethyl propionylacetate, 98+%(4949-44-4)
  • TCI Shanghai:丙酰乙酸乙酯 Ethyl 3-Oxovalerate,>;97.0%(GC)(4949-44-4)
  • 下游产品:依托度酸
  • MSDS 信息:Ethyl 3-oxovalerate(4949-44-4).msds
  • Sigma Aldrich:4949-44-4(sigmaaldrich)
  • TSCA:T
  • 海关编码:29183000
  • Alfa Aesar:丙酰基乙酸乙酯,95% Ethyl propionylacetate, 95%(4949-44-4)
  • 图谱信息:丙酰乙酸乙酯(4949-44-4)红外图谱(IR1) 丙酰乙酸乙酯(4949-44-4)质谱(MS) 丙酰乙酸乙酯(4949-44-4)核磁图( 1 HNMR) 丙酰乙酸乙酯(4949-44-4)核磁图( 13 CNMR)
  • MOL 文件:4949-44-4.mol
  • 丙酰乙酸乙酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 K0031 3-氧代戊酸乙酯 Ethyl 3-Oxovalerate 25G 2240元 2014/06/02 K0031 3-氧代戊酸乙酯 Ethyl 3-Oxovalerate 5G 659元 2010/06/21 232910050 丙酰乙酸乙酯 Ethyl propionylacetate 98+% 5 ML 895元

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. C6 to C7 - 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. C2 to C5

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