monoisononyl cyclohexane-1,2-dicarboxylate

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: monoisononyl cyclohexane-1,2-dicarboxylate
• 英文别名: 1,2-cyclohexane dicarboxylic acid monoisononyl ester；1,2-Cyclohexandicarbonsaureisononylester；2-(7-methyloctoxycarbonyl)cyclohexane-1-carboxylic acid
• 化学式: C₁₇H₃₀O₄
• 分子量: 298.423
• InChiKey: PCORNOMJKFKGSG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  21
• 可旋转键数：
  10
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  63.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  异壬醇 、 monoisononyl cyclohexane-1,2-dicarboxylate 在 titanium(IV) isopropylate 作用下， 250.0 ℃ 、76.0 kPa 条件下， 反应 11.0h， 生成 1,2-环已烷二羧酸二异壬基酯
  参考文献：
  名称：

  Method of preparing cyclohexanepolycarboxylic acid ester without phthalatic and plasticizer prepared by the same

  摘要：

  一种制备不含邻苯二甲酸酯的环己烷聚羧酸酯类增塑剂的方法，具有有效缩短反应时间的优点，该方法包括将环己烷聚羧酸或其衍生物、单醇和锡和钛金属催化剂或无机酸同时加入反应釜中，在高温（200~250°C）下进行单阶酯化反应，通过该过程获得环己烷聚羧酸酯的反应混合物，该混合物可作为一种不含邻苯二甲酸酯的增塑剂，对生物和环境无危害。

  公开号：

  US20080183004A1
• 作为产物：
  描述：

  异壬醇 、 六氢苯酐 生成 monoisononyl cyclohexane-1,2-dicarboxylate
  参考文献：
  名称：

  Method of preparing cyclohexanepolycarboxylic acid ester without phthalatic and plasticizer prepared by the same

  摘要：

  一种制备不含邻苯二甲酸酯的环己烷聚羧酸酯类增塑剂的方法，具有有效缩短反应时间的优点，该方法包括将环己烷聚羧酸或其衍生物、单醇和锡和钛金属催化剂或无机酸同时加入反应釜中，在高温（200~250°C）下进行单阶酯化反应，通过该过程获得环己烷聚羧酸酯的反应混合物，该混合物可作为一种不含邻苯二甲酸酯的增塑剂，对生物和环境无危害。

  公开号：

  US20080183004A1

文献信息

• WEICHMACHER-ZUSAMMENSETZUNG, DIE POLYMERE DICARBONSÄUREESTER UND 1,2-CYCLOHEXANDICARBONSÄUREESTER ENTHÄLT
  申请人：BASF SE

  公开号：EP3356457A1

  公开（公告）日：2018-08-08
• WEICHMACHER-ZUSAMMENSETZUNG, DIE ALIPHATISCHE DICARBONSÄUREESTER UND DIESTER, DIE UNTER 1,2-CYCLOHEXANDICARBONSÄUREESTERN UND TEREPHTHALSÄUREESTERN AUSGEWÄHLT SIND, ENTHÄLT
  申请人：BASF SE

  公开号：EP3405518A1

  公开（公告）日：2018-11-28
• POLYMER-ZUSAMMENSETZUNG, ENTHALTEND EINEN CYCLOALKYL-ALKYL-DICARBONSÄUREDIESTER ALS WEICHMACHER
  申请人：BASF SE

  公开号：EP3433309A2

  公开（公告）日：2019-01-30
• In vitro cytotoxic effects of DEHP-alternative plasticizers and their primary metabolites on a L929 cell line
  作者：Teuta Eljezi、Pierre Pinta、Damien Richard、Jérémy Pinguet、Jean-Michel Chezal、Marie-Christine Chagnon、Valérie Sautou、Gaël Grimandi、Emmanuel Moreau

  DOI：10.1016/j.chemosphere.2017.01.026

  日期：2017.4

  Phthalic acid esters have been widely used to improve the plasticity of PVC medical devices. They carry a high exposure risk for both humans and the environment in clinical situations. Our study focuses on the cytotoxicity of alternative plasticizers. Postulated primary metabolites were synthesized, not being commercially available. Cytotoxicity assays were performed on L929 murine cells according to the ISO-EN 10993-5 standard design for the biocompatibility of medical devices. The tested concentrations of plasticizers (0.01, 0.05 and -0.1 mg/m1) covered the range likely to be found in biological fluids coming into direct contact with the medical devices. DEHP, DINP and DINCH were cytotoxic at the highest concentration (0.1 mg/ml) for 7 days of exposure. Their corresponding metabolites were found to be more cytotoxic, for the same concentration. By contrast, TOTM and its corresponding metabolite MOTM were not found to be cytotoxic. DEHA showed no cytotoxicity, but its corresponding monoester (MEHA) produced a cytotoxic effect at 0.05 mg/ml. In clinical situations, medical devices can release plasticizers, which can come into contact with patients. In vivo, the plasticizers are quickly transformed into primary metabolites. It is therefore important to measure the effects of both the plasticizers and their corresponding metabolites. Standard first-line cytotoxicity assays should be performed to ensure biocompatibility. (c) 2017 Elsevier Ltd. All rights reserved.
• Method of preparing cyclohexanepolycarboxylic acid ester without phthalatic and plasticizer prepared by the same
  申请人：Shieh Sung-Yueh

  公开号：US20080183004A1

  公开（公告）日：2008-07-31

  A method for preparing a kind of plasticizer containing cyclohexane poly carboxylic acid ester, particularly without phthalate, and with the advantage of effective shortening of reaction time, which method comprising having cyclohexane polycarboxylic acid or its derivatives, mono-alcohol and metal catalyst of tin and titanium or inorganic acid added together at the same time into a reactor to undergo a single stage of esterification at high temperature of 200˜250° C., and a reaction mixture of cyclohexane polycarboxylic acid ester was obtained by the process which is applicably used as a plasticizer without phthalate and no hazard to the living beings and environment.

  一种制备不含邻苯二甲酸酯的环己烷聚羧酸酯类增塑剂的方法，具有有效缩短反应时间的优点，该方法包括将环己烷聚羧酸或其衍生物、单醇和锡和钛金属催化剂或无机酸同时加入反应釜中，在高温（200~250°C）下进行单阶酯化反应，通过该过程获得环己烷聚羧酸酯的反应混合物，该混合物可作为一种不含邻苯二甲酸酯的增塑剂，对生物和环境无危害。