7-甲基-1-辛醇邻苯二甲酸酯 | 106610-61-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 7-甲基-1-辛醇邻苯二甲酸酯
• 英文名称: Mono-isononyl phthalate
• 英文别名: MiNP；Monoisononyl phthalate；2-(7-methyloctoxycarbonyl)benzoic acid
• CAS: 106610-61-1
• 化学式: C₁₇H₂₄O₄
• 分子量: 292.375
• InChiKey: RNCMBSSLYOAVRT-UHFFFAOYSA-N

物化性质

• 沸点：
  421.9±28.0 °C(Predicted)
• 密度：
  1.073±0.06 g/cm3(Predicted)
• 溶解度：
  可溶于氯仿（少许）、乙酸乙酯（少许）、甲醇（少许）

计算性质

• 辛醇/水分配系数(LogP)：
  5.6
• 重原子数：
  21
• 可旋转键数：
  10
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  63.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  苯酐 、 异壬醇 生成 7-甲基-1-辛醇邻苯二甲酸酯
  参考文献：
  名称：

  邻苯二甲酸单酯的生态毒性和生物降解。

  摘要：

  关于邻苯二甲酸单酯的命运和作用知之甚少。就其生物降解行为和急性水生毒性而言，已对从正丁基到异壬酰基单酯的各种单酯进行了评估。所有酯都易于生物降解，降解率达到90％或更高。急性毒性值在很大程度上取决于醇部分的碳链长度。短链样品的LC / EC50约为100 mg / l或更高，异壬基单酯的LC / EC50值稳定在30 mg / l左右。

  DOI：

  10.1016/s0045-6535(03)00668-4

文献信息

• 프탈레이트계 에스터 화합물의 제조 방법
  申请人：OCI Company Ltd. 오씨아이 주식회사(119980041403) Corp. No ▼ 174611-0000981BRN ▼129-85-03080

  公开号：KR20210004709A

  公开（公告）日：2021-01-13

  본 발명은 프탈레이트계 에스터 화합물의 제조 방법에 관한 것으로, 보다 상세하게는, 제1 반응기 내부에 프탈산 무수물 및 알코올을 제공하여 이들을 가열하는 제1 단계; 및 상기 제1 단계의 액체 상태의 제1 혼합물을 제2 반응기에 제공하여, 에스터화 반응을 수행하는 제2 단계를 포함한다.

  本发明涉及邻苯二甲酸酯类酯化合物的制备方法，更具体地说，涉及在第一反应器内提供邻苯二甲酸脱水物和醇，并加热它们的第一步骤；以及将第一步骤中的液态第一混合物提供到第二反应器中，进行酯化反应的第二步骤。
• 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.
• WEICHMACHER-ZUSAMMENSETZUNG
  申请人：BASF SE

  公开号：EP3491054A1

  公开（公告）日：2019-06-05
• [DE] WEICHMACHER-ZUSAMMENSETZUNG<br/>[EN] PLASTICIZER COMPOSITION<br/>[FR] COMPOSITION DE PLASTIFIANT
  申请人：BASF SE

  公开号：WO2018024591A1

  公开（公告）日：2018-02-08

  Weichmacher-Zusammensetzung, enthaltend a) mindestens eine Verbindung der allgemeinen Formel (I): R1a-O-C(=O)-(CH(-O-R2))-CH2-C(=O)-O-R1b, worin R1a und R1b unabhängig voneinander C1 bis C8-Alkyl sind und R2 H oder C(=O)-CH3 oder R2C(=O)-C2- bis C6-Alkyl ist und wobei die Lösetemperatur der Verbindung der allgemeinen Formel (I) maximal 125°C beträgt, b) mindestens eine Verbindung der allgemeinen Formel (II), worin R3a und R3b unabhängig voneinander C7- bis C12-Alkyl sind.