nonanoic acid trimethylsilyl ester | 82326-11-2

• 分子结构分类: 有机化合物 - 有机金属化合物 - 有机类金属化合物
• 英文名称: nonanoic acid trimethylsilyl ester
• 英文别名: Trimethylsilyl nonanoate
• CAS: 82326-11-2
• 化学式: C₁₂H₂₆O₂Si
• 分子量: 230.423
• InChiKey: ISTGUORKGWWKMI-UHFFFAOYSA-N

物化性质

• 沸点：
  245.5±9.0 °C(Predicted)
• 密度：
  0.866±0.06 g/cm3(Predicted)
• 保留指数：
  1358;1355;1355

计算性质

• 辛醇/水分配系数(LogP)：
  4.12
• 重原子数：
  15
• 可旋转键数：
  9
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  壬酸 生成 nonanoic acid trimethylsilyl ester
  参考文献：
  名称：

  LAUTERBUCH, MANFRED;JUGER, GUNTER;JANCKE, HARALD;LEHMANN, ANDREAS;ZIMMERM+, CHEM. TECHN. , 42,(1990) N, C. 264-268

  摘要：

  DOI：

文献信息

• Partition coefficients of ketones, phenols, aliphatic and aromatic acids, and esters in n-hexane/nitromethane
  作者：Urszula Kotowska、Valery Isidorov

  DOI：10.2478/s11532-011-0060-4

  日期：2011.10.1

  in sample preparation and in countercurrent and liquid-liquid chromatographic separations. Partition coefficients are widely used in toxicology, environmental, and analytical chemistry. The K hn determination procedure for the n -hexane/nitromethane system was optimized and partition coefficients for 99 ketones, esters and trimethylsilyl derivatives of phenols, aliphatic and aromatic acids were determined

  液-液分配用于样品制备以及逆流和液-液色谱分离。分配系数被广泛用于毒理学，环境和分析化学中。该 ķ HN 用于确定过程 Ñ 正己烷/硝基甲烷体系进行了优化和分配系数为99酮，酯和酚的三甲基甲硅烷衍生物，测定脂族和芳族酸。对于130种化合物， 使用 K hn 与其他理化和结构参数之间的数学关系来预测 K hn 值 。
• Identification of Products Containing −COOH, −OH, and −CO in Atmospheric Oxidation of Hydrocarbons
  作者：Jianzhen Yu、Richard C. Flagan、John H. Seinfeld

  DOI：10.1021/es980129x

  日期：1998.8.1

  Atmospheric oxidation of hydrocarbons by hydroxyl radicals and ozone leads to products containing -COOH, -OH, and -C=O functional groups. The high polarity of such compounds precludes direct GC-MS analysis. In addition, many such compounds often exist in a single sample at trace levels. An analytical method has been developed to identify compounds containing one or more functional groups of carbonyl, carboxy, and hydroxy in atmospheric samples. In the method, -C=O groups are derivatized using 0-(2,3,4,5,6-pentafluorobenzyl) hydroxy amine (PFBHA), and -COOH and -OH groups are derivatized using a silylation reagent N,O-bis(trimethylsilyl)trifluoro-acetamide (BSTFA). The derivatives are easily resolved by a GC column. The chemical ionization mass spectra of these derivatives exhibit several pseudomolecular ions, allowing unambiguous determination of molecular weights. Functional group identification is accomplished by monitoring the ions in the electron ionization mass spectra that are characteristic of each functional group derivative: m/z 181 for carbonyl and m/z 73 and 75 for carboxyl and hydroxy groups. The method is used to identify products in laboratory studies of ozone oxidation of alpha-pinene and Delta(3)-carene. Among products from ozone oxidation of alpha-pinene, we have detected pinonaldehyde, norpinonaldehyde , pinonic acid, norpinonic acid, C-10 hydroxy dicarbonyls, pinic acid, 2,2-dimethyl-3-(formylmethyl)-cyclobutane-formic acid, and a product that has a molecular weight of 156 and contains a C=O and a COOH/OH group. The latter two products have not been reported previously. Delta(3)-carene is structurally analogous to alpha-pinene in that both have an internal unsaturated bond where ozone oxidation takes place. We have also identified the corresponding analogous products, of which all but caronaldehyde are reported for the first time.
• LAUTERBUCH, MANFRED;JUGER, GUNTER;JANCKE, HARALD;LEHMANN, ANDREAS;ZIMMERM+, CHEM. TECHN. , 42,(1990) N, C. 264-268
  作者：LAUTERBUCH, MANFRED、JUGER, GUNTER、JANCKE, HARALD、LEHMANN, ANDREAS、ZIMMERM+

  DOI：——

  日期：——

表征谱图