Methyl levulinate 乙酰丙酸甲酯

CAS 624-45-3 MFCD00017499

化学结构图

624-45-3
SMILES: COC(=O)CCC(C)=O

化学属性

Mol. FormulaC6H10O3
Mol. Weight130.14
Density1.051
Boiling Point193-195 °C at 760 mmHg
Refractive index1.4200 to 1.4240
Flash Point72°C(lit.)
TSCANo
Melting Point237 °C

别名和识别编码

Chemical NameMethyl levulinate
Beilstein Registry Number1754008
PubChem Substance ID87572012
CAS Number624-45-3
EC Number210-846-4
MDL NumberMFCD00017499
Reaxys-RN1754008
Synonym Methyl levulinate {LY} Methyl levulinate {} {LY} Methyl levulinate {} {} {LY} Methyl levulinate {} {} {} {LY} Methyl levulinate {} {} {} {} {LY} Methyl levulinate {} {} {} {} {} {LY} Methyl levulinate {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl levulinate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl levulinate {} {} {} {} {} {} {} {} {LY} Methyl levulinate {} {} {} {} {} {} {} {} {} {LY} Methyl levulinate {} {} {} {} {} {} {} {} {} {} {LY} Methyl levulinate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl levulinate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl levulinate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl levulinate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl levulinate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl levulinate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
Chemical Name Translation乙酰丙酸甲酯
LabNetwork Molecule IDLN00224646
InChIInChI=1S/C6H10O3/c1-5(7)3-4-6(8)9-2/h3-4H2,1-2H3
Canonical SMILESO=C(CCC(C)=O)OC
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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

相关文献及参考

  • Beil. 3 ,IV,1562
  • 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 mixtures). Part B contains data of more than 7600 organic liquids.
  • Short: IV/16 Title: Surface tension of pure liquids and binary mixtures Author: Wohlf

安全信息

WGK Germany3
Personal Protective Equipment Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Signal word
Hazard statements
  • H227 Combustible liquid 可燃液体
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。
  • P262 Do not get in eyes, on skin, or on clothing. 不要接触眼睛，皮肤或衣服。
  • 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。
  • P403+P235
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
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；
GHS Symbol
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:624-45-3(sigmaaldrich)
  • 图谱信息:乙酰丙酸甲酯(624-45-3)核磁图( 13 CNMR) 乙酰丙酸甲酯(624-45-3)红外图谱(IR1) 乙酰丙酸甲酯(624-45-3)红外图谱(IR2) 乙酰丙酸甲酯(624-45-3)质谱(MS) 乙酰丙酸甲酯(624-45-3)核磁图( 1 HNMR)
  • MOL 文件:624-45-3.mol
  • Alfa Aesar:乙酰丙酸甲酯,99+% Methyl levulinate, 99+%(624-45-3)
  • 乙酰丙酸甲酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 L0044 乙酰丙酸甲酯 Methyl Levulinate 500G 2920元 2014/06/02 L0044 乙酰丙酸甲酯 Methyl Levulinate 25G 363元 2010/05/25 43397 乙酰丙酸甲酯, 99+% Methyl levulinate, 99+% 25g 437元
  • MSDS 信息:Methyl levulinate(624-45-3).msds
  • TCI Shanghai:乙酰丙酸甲酯 Methyl Levulinate,>;99.0%(GC)(624-45-3)

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
  6. C6 to C7 - Esters

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