2-乙基己烷-1,5-二醇 | 58374-34-8

• 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: 2-乙基己烷-1,5-二醇
• 英文名称: 2-ethyl-hexane-1,5-diol
• 英文别名: 1,5-Hexanediol, 2-ethyl-；2-ethylhexane-1,5-diol
• CAS: 58374-34-8
• 化学式: C₈H₁₈O₂
• mdl: MFCD09834068
• 分子量: 146.23
• InChiKey: QJZNFTWNCBRRRA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  10
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  40.5
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-乙基己烷-1,5-二醇 在 咪唑 、 4-二甲氨基吡啶 、 四丁基氟化铵 、 4-甲基苯磺酸吡啶 作用下， 以 四氢呋喃 、 吡啶 、 乙醇 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 230.0h， 生成 单(2-乙基-5-羟基己基)邻苯二甲酸酯
  参考文献：
  名称：

  Monophthalates with Oxidized C5-Carbon in the Ester Chain: A Simple Synthetic Access to Two Major Metabolites of Bis-(2-ethylhexyl)-phthalate

  摘要：

  The synthesis of two oxidized metabolites of bis-(2-ethylhexyl)-phthalate is described. The target structures were obtained by esterification of the appropriate alcohol carrying a protected hydroxy group with phthalic anhydride, followed by deprotection and further oxidation.

  DOI：

  10.1007/s007060200084
• 作为产物：
  描述：

  2-ethyl-5-oxo-hexanal 在 sodium tetrahydroborate 作用下， 以 乙醇 为溶剂， 反应 2.0h， 以77%的产率得到2-乙基己烷-1,5-二醇
  参考文献：
  名称：

  Monophthalates with Oxidized C5-Carbon in the Ester Chain: A Simple Synthetic Access to Two Major Metabolites of Bis-(2-ethylhexyl)-phthalate

  摘要：

  The synthesis of two oxidized metabolites of bis-(2-ethylhexyl)-phthalate is described. The target structures were obtained by esterification of the appropriate alcohol carrying a protected hydroxy group with phthalic anhydride, followed by deprotection and further oxidation.

  DOI：

  10.1007/s007060200084

文献信息

• Determination of Urinary Metabolites of the Emerging UV Filter Octocrylene by Online-SPE-LC-MS/MS
  作者：Daniel Bury、Vladimir N. Belov、Yulin Qi、Heiko Hayen、Dietrich A. Volmer、Thomas Brüning、Holger M. Koch

  DOI：10.1021/acs.analchem.7b03996

  日期：2018.1.2

  analytical standards, including deuterium-labeled internal standards, are also described. In a pilot study, we investigated the applicability of the metabolites as biomarkers of exposure in urine samples from the general population (n = 35). OC metabolites were detected in 91% of the samples, with the highest concentrations for three individuals having used sunscreen within 5 days prior to sample collection

  辛二烯（OC）是一种新兴的UV过滤器，可用于大多数防晒霜以及其他个人护理产品（PCP）和消费产品。据报道其存在于各种环境基质中。但是，由于缺乏适当的暴露生物标志物和分析方法，因此无法获得有关人体内部OC暴露的信息。在这里，我们描述了一种稳定，精确的准确分析方法，用于通过稳定同位素稀释分析法测定人尿中的三种OC代谢产物（酯水解和烷基链氧化产物）。尿液样品与β-葡萄糖醛酸苷酶（E. coliK12），然后通过液相色谱-电喷雾电离-三重串联四极杆串联质谱与在线湍流色谱法进行分析，以进行样品净化和分析物富集（在线-SPE-LC-MS / MS）。还描述了包括氘标记的内标在内的分析标样的合成。在一项前期研究中，我们调查了代谢物作为普通人群尿样本中暴露的生物标志物的适用性（n = 35）。在91％的样品中检测到OC代谢产物，其中三人在收集样品前5天内使用了防晒霜的浓度最高。我们将在未来的人类生物监测研究中将该方法应用于OC暴露和风险评估。
• POLYCARBONATE DIOL, PROCESS FOR PRODUCING SAME, AND POLYURETHANE AND ACTINIC-ENERGY-RAY-CURABLE POLYMER COMPOSITION BOTH FORMED USING SAME
  申请人：Mitsubishi Chemical Corporation

  公开号：EP2559718A1

  公开（公告）日：2013-02-20

  The present invention provides a novel polycarbonate diol and a polyurethane using the polycarbonate diol as raw materials. The novel polycarbonate diol produces polycarbonate diol-based polyurethane which has a high degree of hardness, superior abrasion resistance, and superior hydrophilicity, and is usable for an application such as a paint, a coating agent, a synthetic leather, an artificial leather, and a highly-functional elastomers, or the like. The present invention also provides an active-energy radiation curable polymer composition giving a cured film having a superior contamination resistance and high degree of hardness. The present invention is obtained, for example, by reacting specific two types of diols with diester carbonate in the presence of a transesterification catalyst being a compound using a metal of Group 1 or 2 on the periodic table. The present invention provides a polycarbonate diol wherein the metal content of the transesterification catalyst is 100 weight ppm or less, a polyurethane obtainable by using this polycarbonate diol and an active-energy radiation curable polymer composition containing the urethane(meth)acrylate oligomer which is obtained from the polycarbonate diol.

  本发明提供了一种新型聚碳酸酯二元醇和一种以该聚碳酸酯二元醇为原料的聚氨酯。这种新型聚碳酸酯二元醇生产的聚碳酸酯二元醇基聚氨酯具有高硬度、优异的耐磨性和亲水性，可用于涂料、涂层剂、合成革、人造革和高功能弹性体等应用。本发明还提供了一种活性能量辐射固化聚合物组合物，其固化膜具有优异的抗污染性和高硬度。例如，本发明是通过使特定的两种二元醇与碳酸二酯在转酯化催化剂（使用元素周期表中第 1 或第 2 族金属的化合物）存在下发生反应而获得的。本发明提供了一种聚碳酸酯二元醇（其中酯交换催化剂的金属含量为 100 重量ppm 或更少）、一种可通过使用这种聚碳酸酯二元醇获得的聚氨酯，以及一种含有从聚碳酸酯二元醇中获得的聚氨酯（甲基）丙烯酸酯低聚物的主动能辐射固化聚合物组合物。
• UTILISATION D'UNE COMPOSITION RENFERMANT UN POLYOL À CHAÎNE LONGUE COMME BASE DE E-LIQUIDES
  申请人：Laboratoires Ceres

  公开号：EP3166424B1

  公开（公告）日：2019-11-13
• ANTIPERSPIRANT SPRAYS WITH ESTER OILS
  申请人：Banowski Bernhard

  公开号：US20120020906A1

  公开（公告）日：2012-01-26

  Antiperspirant compositions for personal body care, formulated as a suspension which can be sprayed with or without a propellant, include at least one antiperspirant substance, 0-5 wt. % free water, based on the weight of the propellant-free composition, at least one ester, and at least one additional cosmetic oil which is liquid under normal conditions, as a carrier.
• WATER-FREE ANTIPERSPIRANT SPRAYS IN WHICH ACTIVE SUBSTANCES ARE MORE READILY RELEASED
  申请人：Banowski Bernhard

  公开号：US20120171143A1

  公开（公告）日：2012-07-05

  Antiperspirant compositions for personal body care which are produced as a suspension or solution that can be sprayed with or without using a propellant include at least one antiperspirant, at least one oil as a carrier, the oil being liquid in normal conditions, 0-7 percent by weight of free water relative to the weight of the composition, and at least one selected alkyl-modified polyether.