2-[2-[2-[2-[2-[2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-Pentacosadeuteriododecoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol | 137628-14-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-[2-[2-[2-[2-[2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-Pentacosadeuteriododecoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
• 英文别名: 2-[2-[2-[2-[2-[2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-pentacosadeuteriododecoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
• CAS: 137628-14-9
• 化学式: C₂₄H₅₀O₇
• 分子量: 475.458
• InChiKey: OJCFEGKCRWEVSN-YYQNCXAFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  31
• 可旋转键数：
  28
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  75.6
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  2-[2-[2-[2-[2-[2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-Pentacosadeuteriododecoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol 在 potassium tert-butylate 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 生成
  参考文献：
  名称：

  Structure of Monolayers of Monododecyl Dodecaethylene Glycol at the Air−Water Interface Studied by Neutron Reflection

  摘要：

  We have determined the structure of a monolayer of dodecaethylene glycol monododecyl ether (C12E12) adsorbed at the air-water interface using specular neutron reflection in combination with deuterium labeling. The structure of the adsorbed monolayer was measured at its critical micellar concentration (cmc, 1.25 x 10(-4) M), 0.3cmc, 0.13cmc, and 0.033cmc. The reflection data were analyzed using the optical matrix method and the kinematic approximation, both of which gave structures identical within the limitations of the different models used. Fn the optical matric; method the monolayer was divided into two layers, the first layer consisting of the alkyl chain only, and the second layer consisting of the ethoxylated head, a fraction of the alkyl chain, and water. Significant intermixing of alkyl chain and ethoxylated headgroup was needed to account for the observed reflectivities. At the cmc about 35% of the alkyl chain seems to be incorporated into The headgroup region, and this increases to about 50% at the lowest concentration. The corresponding variation in the thickness of the alkyl chain layer was from 9 to 6 +/- 2 Angstrom and that of the head region from 22 to 20 +/- 2 Angstrom. The distances between the centers of the alkyl chain and solvent distributions were determined by the more direct kinematic method and the values were found to be 13, 11, 10, and 7.5 +/- 2 Angstrom for the four concentrations studied. The total thicknesses of the dodecyl chain and the ethoxylate groups were extracted from a simultaneous analysis of three reflectivity profiles from different isotopic compositions at a given surfactant concentration. The values of the two thicknesses were found to be 15.0, 13.0, 12.5, and 12.0 +/- 2 Angstrom for the dodecyl chain and 21, 18, 17, and 17 +/- 4 Angstrom for the ethoxylate group at the four concentrations. Comparison of these values with previous work on C12En with shorter ethylene glycol chains shows that the distributions of the dodecyl chain are similar to those with smaller n, but the extent of mixing between the allyl chain and the ethoxylate group increases with n.

  DOI：

  10.1021/jp971330h
• 作为产物：
  描述：

  六甘醇 、 1-溴十二烷-D25 在 sodium 作用下， 生成 2-[2-[2-[2-[2-[2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-Pentacosadeuteriododecoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
  参考文献：
  名称：

  Structure of Monolayers of Monododecyl Dodecaethylene Glycol at the Air−Water Interface Studied by Neutron Reflection

  摘要：

  We have determined the structure of a monolayer of dodecaethylene glycol monododecyl ether (C12E12) adsorbed at the air-water interface using specular neutron reflection in combination with deuterium labeling. The structure of the adsorbed monolayer was measured at its critical micellar concentration (cmc, 1.25 x 10(-4) M), 0.3cmc, 0.13cmc, and 0.033cmc. The reflection data were analyzed using the optical matrix method and the kinematic approximation, both of which gave structures identical within the limitations of the different models used. Fn the optical matric; method the monolayer was divided into two layers, the first layer consisting of the alkyl chain only, and the second layer consisting of the ethoxylated head, a fraction of the alkyl chain, and water. Significant intermixing of alkyl chain and ethoxylated headgroup was needed to account for the observed reflectivities. At the cmc about 35% of the alkyl chain seems to be incorporated into The headgroup region, and this increases to about 50% at the lowest concentration. The corresponding variation in the thickness of the alkyl chain layer was from 9 to 6 +/- 2 Angstrom and that of the head region from 22 to 20 +/- 2 Angstrom. The distances between the centers of the alkyl chain and solvent distributions were determined by the more direct kinematic method and the values were found to be 13, 11, 10, and 7.5 +/- 2 Angstrom for the four concentrations studied. The total thicknesses of the dodecyl chain and the ethoxylate groups were extracted from a simultaneous analysis of three reflectivity profiles from different isotopic compositions at a given surfactant concentration. The values of the two thicknesses were found to be 15.0, 13.0, 12.5, and 12.0 +/- 2 Angstrom for the dodecyl chain and 21, 18, 17, and 17 +/- 4 Angstrom for the ethoxylate group at the four concentrations. Comparison of these values with previous work on C12En with shorter ethylene glycol chains shows that the distributions of the dodecyl chain are similar to those with smaller n, but the extent of mixing between the allyl chain and the ethoxylate group increases with n.

  DOI：

  10.1021/jp971330h

文献信息

• Structure of Monolayers of Monododecyl Dodecaethylene Glycol at the Air−Water Interface Studied by Neutron Reflection
  作者：J. R. Lu、T. J. Su、Z. X. Li、R. K. Thomas、E. J. Staples、I. Tucker、J. Penfold

  DOI：10.1021/jp971330h

  日期：1997.12.1

  We have determined the structure of a monolayer of dodecaethylene glycol monododecyl ether (C12E12) adsorbed at the air-water interface using specular neutron reflection in combination with deuterium labeling. The structure of the adsorbed monolayer was measured at its critical micellar concentration (cmc, 1.25 x 10(-4) M), 0.3cmc, 0.13cmc, and 0.033cmc. The reflection data were analyzed using the optical matrix method and the kinematic approximation, both of which gave structures identical within the limitations of the different models used. Fn the optical matric; method the monolayer was divided into two layers, the first layer consisting of the alkyl chain only, and the second layer consisting of the ethoxylated head, a fraction of the alkyl chain, and water. Significant intermixing of alkyl chain and ethoxylated headgroup was needed to account for the observed reflectivities. At the cmc about 35% of the alkyl chain seems to be incorporated into The headgroup region, and this increases to about 50% at the lowest concentration. The corresponding variation in the thickness of the alkyl chain layer was from 9 to 6 +/- 2 Angstrom and that of the head region from 22 to 20 +/- 2 Angstrom. The distances between the centers of the alkyl chain and solvent distributions were determined by the more direct kinematic method and the values were found to be 13, 11, 10, and 7.5 +/- 2 Angstrom for the four concentrations studied. The total thicknesses of the dodecyl chain and the ethoxylate groups were extracted from a simultaneous analysis of three reflectivity profiles from different isotopic compositions at a given surfactant concentration. The values of the two thicknesses were found to be 15.0, 13.0, 12.5, and 12.0 +/- 2 Angstrom for the dodecyl chain and 21, 18, 17, and 17 +/- 4 Angstrom for the ethoxylate group at the four concentrations. Comparison of these values with previous work on C12En with shorter ethylene glycol chains shows that the distributions of the dodecyl chain are similar to those with smaller n, but the extent of mixing between the allyl chain and the ethoxylate group increases with n.