Benzylidene diacetate 苯亚甲基二乙酸

CAS 581-55-5 MFCD00059206

化学结构图

581-55-5
SMILES: CC(=O)OC(OC(C)=O)c1ccccc1

化学属性

Mol. FormulaC11H12O4
Mol. Weight208.21
Melting Point44-46 °C
TSCANo
Boiling Point154 °C at 20 mmHg

别名和识别编码

Chemical NamePhenylmethylene Diacetate
Synonym Phenylmethylene diacetate {LY} Phenylmethylene diacetate {} {LY} Phenylmethylene diacetate {} {} {LY} Phenylmethylene diacetate {} {} {} {LY} Phenylmethylene diacetate {} {} {} {} {LY} Phenylmethylene diacetate {} {} {} {} {} {LY} Phenylmethylene diacetate {} {} {} {} {} {} {LY} Phenylmethylene diacetate {} {} {} {} {} {} {} {LY} Phenylmethylene diacetate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Phenylmethylene diacetate {} {} {} {} {} {} {} {} {} {LY} Phenylmethylene diacetate {} {} {} {} {} {} {} {} {} {} {LY} Phenylmethylene diacetate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Phenylmethylene diacetate {} {} {} {} {} {} {} {} {} {} {} {} {LY} Phenylmethylene diacetate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Phenylmethylene diacetate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Phenylmethylene diacetate {} {} {} {} {} {} {} {} {} {}
MDL NumberMFCD00059206
CAS Number581-55-5
EC Number209-469-8
Reaxys-RN2052169
Beilstein Registry Number7(3)827
PubChem Substance ID68489
Chemical Name Translation苯亚甲基二乙酸
InChIKeyXRYSDRCNTMEYFH-UHFFFAOYSA-N
LabNetwork Molecule IDLN00193704
InChIInChI=1S/C11H12O4/c1-8(12)14-11(15-9(2)13)10-6-4-3-5-7-10/h3-7,11H,1-2H3
Canonical SMILESCC(=O)OC(C1=CC=CC=C1)OC(=O)C
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分类

  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; ester; 1fragment

相关文献及参考

  • 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: 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

安全信息

Storage condition

其他信息

  • 苯亚甲基双乙酸盐价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 B0010 苯亚甲基双乙酸盐 Benzal Diacetate 500G 6580元 2014/06/02 B0010 苯亚甲基双乙酸盐 Benzal Diacetate 25G 857元 2010/05/25 B24225 苯亚甲基二乙酸, 98% Benzal diacetate, 98% 5g 403元
  • 图谱信息:苯亚甲基双乙酸盐(581-55-5)红外图谱(IR2) 苯亚甲基双乙酸盐(581-55-5)红外图谱(IR1) 苯亚甲基双乙酸盐(581-55-5)核磁图( 13 CNMR) 苯亚甲基双乙酸盐(581-55-5)Raman光谱 苯亚甲基双乙酸盐(581-55-5)核磁图( 1 HNMR) 苯亚甲基双乙酸盐(581-55-5)质谱(MS)
  • TCI Shanghai:亚苄二乙酸酯 Benzal Diacetate,>;95.0%(GC)(581-55-5)
  • MOL 文件:581-55-5.mol
  • Alfa Aesar:苯亚甲基二乙酸,98% Benzal diacetate, 98%(581-55-5)

系列性分类

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