Ethyl 2-Benzyl-3-Oxobutanoate 2-苄基乙酰乙酸乙酯
CAS 620-79-1 MFCD00009156
化学结构图
SMILES: CCOC(=O)C(CC1CCCCC1)C(C)=O
化学属性
| Mol. Formula | C13H16O3 |
|---|---|
| Mol. Weight | 220.26434 |
| Density | 1.036 g/mL at 25 °C(lit.) |
| Refractive index | 1.4980 to 1.5010 |
| Flash Point | >110°(230°F) |
| TSCA | No |
| Boiling Point | 276 °C at 760 mmHg |
别名和识别编码
| Chemical Name | Ethyl 2-Benzyl-3-Oxobutanoate |
|---|---|
| CAS Number | 620-79-1 |
| Synonym | Ethyl 2-benzylacetoacetate {LY} Ethyl 2-benzylacetoacetate {} {LY} Ethyl 2-benzylacetoacetate {} {} {LY} Ethyl 2-benzylacetoacetate {} {} {} {LY} Ethyl 2-benzylacetoacetate {} {} {} {} {LY} Ethyl 2-benzylacetoacetate {} {} {} {} {} {LY} Ethyl 2-benzylacetoacetate {} {} {} {} {} {} {LY} Ethyl 2-benzylacetoacetate {} {} {} {} {} {} {} {LY} Ethyl 2-benzylacetoacetate {} {} {} {} {} {} {} {} {LY} Ethyl 2-benzylacetoacetate {} {} {} {} {} {} {} {} {} {LY} Ethyl 2-benzylacetoacetate {} {} {} {} {} {} {} {} {} {} {LY} Ethyl 2-benzylacetoacetate {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl 2-benzylacetoacetate {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl 2-benzylacetoacetate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl 2-benzylacetoacetate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl 2-benzylacetoacetate {} {} {} {} {} {} {} {} {} {} {} { |
| MDL Number | MFCD00009156 |
| EC Number | 210-651-4 |
| Beilstein Registry Number | 10,710 |
| PubChem Substance ID | 246929 |
| Alfabeta Name | ETHYLBENZYLOXOBUTANOATE 23--- |
| Reaxys-RN | 520909 |
| Chemical Name Translation | 2-苄基乙酰乙酸乙酯 |
| LabNetwork Molecule ID | LN00178475 |
| InChI | InChI=1S/C13H16O3/c1-3-16-13(15)12(10(2)14)9-11-7-5-4-6-8-11/h4-8,12H,3,9H2,1-2H3 |
| Canonical SMILES | O=C(OCC)C(CC1=CC=CC=C1)C(C)=O |
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分类
- {SNA} Alphabetical Listings, E-F, Flavors and Fragrances
- {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; ester; ketone; racemate; 1fragment
- {SNA} Building Blocks, C12 to C63, Carbonyl Compounds, Chemical Synthesis, Esters, Organic Building Blocks
- Aromatics
- Miscellaneous Reagents
相关文献及参考
- Short: EINECS Title: EINECS (European Inventory of Existing Commercial Chemical Substances) Source: Official Journal of the European Communities Volume: C 146 A (15.06.1990) Page: 1 Year: 1990 Internet Resource: http://ecb.jrc.ec.europa.eu/esis/index.php?PGM=ein Publish_Date: 1990/06/15
- Short: III/35C1 Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts and Coupling Constants for Hydrogen-1, Part 1: Aliphatic and Aromatic Hydrocarbons, Steroids, Carbohydrates Author: Gupta, R.R.; Jain, M. Editor: Gupta, R.R.; Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/35C1 Year: 2000 ISBN: 3-540-66780-6 ISBN: 978-3-540-66780-3 Internet Resource: DOI:10.1007/b60149 RefComment: VII, 310 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), and carbon-13 (subvol. D) 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: IV/20B Title: Vapor Pressure and Antoine Coefficients for Oxygen Containing Organic Compounds Author: Dykyj, J.; Svoboda, J.; Wilhoit, R.C.; Frenkel, M.; Hall, K.R. Editor: Hall, K.R. Source: Landolt-Börnstein, New Series Volume: IV/20B Year: 2000 Keyword: organic compounds; vapor pressure ISBN: 3-540-64968-9 ISBN: 978-3-540-64968-7 Internet Resource: DOI:10.1007/b71424 RefComment: VII, 320 pages.
安全信息
- S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；
其他信息
- Acros Organics:2-苄基乙酰乙酸乙酯 Ethyl 2-benzylacetoacetate, 97%(620-79-1)
- 图谱信息:2-苄基乙酰乙酸乙酯(620-79-1)质谱(MS) 2-苄基乙酰乙酸乙酯(620-79-1)红外图谱(IR1)
- Sigma Aldrich:620-79-1(sigmaaldrich)
- FEMA:2416
- 2-苄基乙酰乙酸乙酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 B2008 2-苄基乙酰乙酸乙酯 Ethyl 2-Benzylacetoacetate 5G 240元 2014/06/02 B2008 2-苄基乙酰乙酸乙酯 Ethyl 2-Benzylacetoacetate 25G 792元 2010/06/21 118100250 2-苄基乙酰乙酸乙酯 Ethyl 2-benzylacetoacetate 97% 25 GR 481元
- TCI Shanghai:2-苄基乙酰乙酸乙酯 Ethyl 2-Benzylacetoacetate,>;98.0%(GC)(620-79-1)
- MOL 文件:620-79-1.mol
- Alfa Aesar:2-苄基乙酰乙酸乙酯,97% Ethyl 2-benzylacetoacetate, 97%(620-79-1)
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