9,10,12,13-四氯十八烷酸 | 26533-39-1

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 中文名称: 9,10,12,13-四氯十八烷酸
• 英文名称: 9,10,12,13-tetrachlorostearic acid
• 英文别名: α,α-9,10,12,13-Tetrachlor-octadecansaeure；9,10,12,13-Tetrachlorstearinsaeure；9,10,12,13-tetrachloro-octadecanoic acid；9,10,12,13-Tetrachlor-octadecansaeure；9,10,12,13-Tetrachlorooctadecanoic acid
• CAS: 26533-39-1
• 化学式: C₁₈H₃₂Cl₄O₂
• 分子量: 422.263
• InChiKey: FRSRMUYUIAXUAX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.7
• 重原子数：
  24
• 可旋转键数：
  16
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.94
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  甲醇 、 9,10,12,13-四氯十八烷酸 在 三氟化硼 作用下， 反应 0.15h， 生成 9,10,12,13-tetrachlorostearic acid methyl ester
  参考文献：
  名称：

  Organic halogen compounds, EOX, in mussels from a clean lake and a pulp mill recipient

  摘要：

  The extractable organic halogen (EOX) residue of duck mussels, Anodonta anatina, from the unpolluted Lake Hoytiainen, Finland, was found to be 690 mu g/g of lipids. The residue was characterized by analyzing chlorinated phenols, hydrocarbons and fatty acids. These compound classes accounted only for 1.9% of the EOX.Mussels from the same lake were incubated in a lake receiving pulp and paper mill effluents for 12 months to study the bioaccumulation of organochlorine compounds. The EOX of these mussels was 2045 mu g/g lipids and only 1.1% of the residue was explained by the low molecular weight compounds. Thus, the majority of EOX remains undefined. However, potential differences in composition are suggested by the relative proportion of defined compounds and the differences among the measured compound classes. These halogen compounds may be of natural origin or reaction products of anthropogenic compounds with humic substances. The presence of such compounds should be taken into account when evaluating the accumulation of pulp mill effluent-related EOX in mussels.No difference was found in the EOX between male and female mussels caged close to a pulp mill, but, on dry weight basis, mussels infected by a digenean parasite had higher EOX concentration than healthy females.

  DOI：

  10.1016/0045-6535(94)90282-8
• 作为产物：
  描述：

  alkaline earth salt of/the/ methylsulfuric acid 生成 9,10,12,13-四氯十八烷酸
  参考文献：
  名称：

  Lyness; Quackenbush, Journal of the American Oil Chemists' Society, 1955, vol. 32, p. 520

  摘要：

  DOI：

文献信息

• REMBERGER, MIKAEL;HYNNING, PER-AKE;NEILSON, ALASDAIR H., J. CHROMATOGR. , 508,(1990) N, C. 159-178
  作者：REMBERGER, MIKAEL、HYNNING, PER-AKE、NEILSON, ALASDAIR H.

  DOI：——

  日期：——
• Lyness; Quackenbush, Journal of the American Oil Chemists' Society, 1955, vol. 32, p. 520
  作者：Lyness、Quackenbush

  DOI：——

  日期：——
• Organic halogen compounds, EOX, in mussels from a clean lake and a pulp mill recipient
  作者：Jukka Pellinen、Minna Ruokolainen、Petteri Mäkelä、Jouni Taskinen

  DOI：10.1016/0045-6535(94)90282-8

  日期：1994.10

  The extractable organic halogen (EOX) residue of duck mussels, Anodonta anatina, from the unpolluted Lake Hoytiainen, Finland, was found to be 690 mu g/g of lipids. The residue was characterized by analyzing chlorinated phenols, hydrocarbons and fatty acids. These compound classes accounted only for 1.9% of the EOX.Mussels from the same lake were incubated in a lake receiving pulp and paper mill effluents for 12 months to study the bioaccumulation of organochlorine compounds. The EOX of these mussels was 2045 mu g/g lipids and only 1.1% of the residue was explained by the low molecular weight compounds. Thus, the majority of EOX remains undefined. However, potential differences in composition are suggested by the relative proportion of defined compounds and the differences among the measured compound classes. These halogen compounds may be of natural origin or reaction products of anthropogenic compounds with humic substances. The presence of such compounds should be taken into account when evaluating the accumulation of pulp mill effluent-related EOX in mussels.No difference was found in the EOX between male and female mussels caged close to a pulp mill, but, on dry weight basis, mussels infected by a digenean parasite had higher EOX concentration than healthy females.