邻苯二甲酸二异己酯 | 71850-09-4

• 物质功能分类: 有机原料 - 羧酸类化合物及衍生物
• 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: 邻苯二甲酸二异己酯
• 中文别名: 1,2-苯二羧酸二异己酯
• 英文名称: Diisohexyl phthalate
• 英文别名: bis(4-methylpentyl) benzene-1,2-dicarboxylate
• CAS: 71850-09-4
• 化学式: C₂₀H₃₀O₄
• 分子量: 334.4
• InChiKey: ALEROMXYYSQFLX-UHFFFAOYSA-N

物化性质

• 保留指数：
  2061.2;2073.4

计算性质

• 辛醇/水分配系数(LogP)：
  6.3
• 重原子数：
  24
• 可旋转键数：
  12
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

ADMET

代谢

邻苯二甲酸酯首先被水解为其单酯衍生物。一旦形成，单酯衍生物可以在体内进一步水解为邻苯二甲酸或与葡萄糖醛酸结合，这两种物质随后可以被排出体外。单酯中的末端或倒数第二个碳原子也可以被氧化成醇，这种醇可以原样排出，或者先被氧化成醛、酮或羧酸。单酯和氧化代谢物通过尿液和粪便排出体外。（A2884）

Phthalate esters are first hydrolyzed to their monoester derivative. Once formed, the monoester derivative can be further hydrolyzed in vivo to phthalic acid or conjugated to glucuronide, both of which can then be excreted. The terminal or next-to-last carbon atom in the monoester can also be oxidized to an alcohol, which can be excreted as is or first oxidized to an aldehyde, ketone, or carboxylic acid. The monoester and oxidative metabolites are excreted in the urine and faeces. (A2884)

来源:Toxin and Toxin Target Database (T3DB)

毒理性

• 毒性总结

邻苯二甲酸酯类是内分泌干扰物。它们会降低胎儿睾丸的睾酮生产，并通过降低mRNA表达来减少类固醇生成基因的表达。一些邻苯二甲酸酯还被证明可以减少胰岛素样肽3（insl3）的表达，这是由莱迪希细胞分泌的一种重要激素，对胎儿发育中的阴囊韧带至关重要。动物研究显示，这些效应会干扰生殖发育，并可能导致受影响的幼崽出现多种畸形。(A2883)

Phthalate esters are endocrine disruptors. They decrease foetal testis testosterone production and reduce the expression of steroidogenic genes by decreasing mRNA expression. Some phthalates have also been shown to reduce the expression of insulin-like peptide 3 (insl3), an important hormone secreted by the Leydig cell necessary for development of the gubernacular ligament. Animal studies have shown that these effects disrupt reproductive development and can cause a number of malformations in affected young. (A2883)

来源:Toxin and Toxin Target Database (T3DB)

毒理性

• 致癌物分类

对人类无致癌性（未列入国际癌症研究机构IARC清单）。

No indication of carcinogenicity to humans (not listed by IARC).

来源:Toxin and Toxin Target Database (T3DB)

毒理性

• 健康影响

邻苯二甲酸酯类是内分泌干扰物。动物研究显示它们会干扰生殖发育，并可能导致受影响幼崽出现多种畸形，例如会阴距缩短（AGD）、隐睾、尿道下裂和生育能力下降。与邻苯二甲酸酯相关的影响组合被称为“邻苯二甲酸酯综合症”。(A2883)

Phthalate esters are endocrine disruptors. Animal studies have shown that they disrupt reproductive development and can cause a number of malformations in affected young, such as reduced anogenital distance (AGD), cryptorchidism, hypospadias, and reduced fertility. The combination of effects associated with phthalates is called 'phthalate syndrome’. (A2883)

来源:Toxin and Toxin Target Database (T3DB)

毒理性

• 暴露途径

口服（L1903）；吸入（L1903）；皮肤给药（L1903）

Oral (L1903) ; inhalation (L1903) ; dermal (L1903)

来源:Toxin and Toxin Target Database (T3DB)

毒理性

• 症状

邻苯二甲酸酯类是内分泌干扰物，能够引起一系列发育畸形，统称为“邻苯二甲酸酯综合症”。

Phthalate esters are endocrine disruptors and can cause a number of developmental malformations termed 'phthalate syndrome'. (A2883)

来源:Toxin and Toxin Target Database (T3DB)

制备方法与用途

生物活性方面，二异辛基邻苯二甲酸酯（Diisohexyl phthalate）是一类邻苯二甲酸二烷基酯，常被用作增塑剂。

文献信息

• STABLE COMPOSITIONS OF THIABENDAZOLE AND IODINE-CONTAINING FUNGICIDES
  申请人：LANXESS Deutschland GmbH

  公开号：US20150051279A1

  公开（公告）日：2015-02-19

  The present invention relates to stable compositions for the fungicidal equipment of thermoplastic polymers, in particular PVC, comprising thiabendazole, at least one iodine-containing fungicide and at least one epoxide and optionally further fungicidally active compounds, and also to methods for preparing these formulations and to uses thereof for the protection of thermoplastic polymers against attack and destruction by microorganisms. Moreover, the invention relates to mold-resistant PVC materials equipped with the compositions according to the invention.

  本发明涉及用于热塑性聚合物的抗真菌设备的稳定组合物，特别是PVC，包括噻苯唑、至少一种含碘真菌剂和至少一种环氧化物，以及可选的其他具有抗真菌活性的化合物，以及制备这些配方的方法和用途，用于保护热塑性聚合物免受微生物的侵害和破坏。此外，该发明涉及配备了根据本发明的组合物的耐霉PVC材料。
• Modified silane compounds
  申请人：——

  公开号：US20040087803A1

  公开（公告）日：2004-05-06

  This invention relates to the reversible protection of hydroxy-silane functional groups by acid cleavable protecting groups. The development of reversible protecting groups greatly enhances the current utility of silanes while introducing further novel applications. For instance, reversibly protected silanes are of particular value in applications where room temperature cure and/or adhesion is of value, such as coatings, high resolution imaging, caulks, adhesives, sealents, gaskets, and silicones. Reversibly protected silanes can also be beneficially used in reticulating agents, and in sizing agents, tires, and release coatings. The incorporation of reversibly protected silanes into coating resins is of particular value. The reversibly protected silane can be incorporated into the coating resin by polymerizing a monomer containing the reversibly protected silane into the resin or by post-addition into the coating formulation. The reversibly protected silane remains protected under basic conditions, such as in a coating formulation that contains a volatile base, for instance ammonium hydroxide. However, deprotection occurs under mildly acidic conditions. Thus, as a coating formulation containing a volatile base dries the volatile base evaporates and deprotection occurs. This allows for controlled room temperature crosslinking to occur with hydroxy-functionalized polymers. The present invention more specifically discloses a modified silane compound consisting of a silane having 3 or 4 acetal moieties bonded thereto.

  本发明涉及通过酸可解保护基对羟基硅烷官能团进行可逆保护。可逆保护基的开发极大地增强了硅烷的当前实用性，同时引入了进一步的新应用。例如，可逆保护的硅烷在需要室温固化和/或粘附的应用中具有特殊价值，如涂料、高分辨率成像、密封胶、粘合剂、密封剂、垫片和硅烷。可逆保护的硅烷也可以有益地用于交联剂、浸渍剂、轮胎和脱模涂层。将可逆保护的硅烷纳入涂层树脂中具有特殊价值。可逆保护的硅烷可以通过将含有可逆保护的硅烷的单体聚合到树脂中或通过后加入涂料配方中来纳入涂层树脂中。在碱性条件下（例如含有挥发性碱的涂料配方中），可逆保护的硅烷保持受保护状态。然而，在温和酸性条件下脱保护。因此，当含有挥发性碱的涂料配方干燥时，挥发性碱蒸发并发生脱保护。这允许与羟基化聚合物发生可控的室温交联。本发明更具体地揭示了一种改性硅烷化合物，其由具有3或4个缩醛基团的硅烷组成。
• [DE] FEINPORIGER KATALYSATOR UND VERFAHREN ZUR HYDRIERUNG VON AROMATISCHEN VERBINDUNGEN<br/>[EN] MICROPOROUS CATALYST AND METHOD FOR HYDROGENATING AROMATIC COMPOUNDS<br/>[FR] CATALYSEUR A MICROPORES ET PROCEDE D'HYDROGENATION DE COMPOSES AROMATIQUES
  申请人：OXENO OLEFINCHEMIE GMBH

  公开号：WO2004009526A1

  公开（公告）日：2004-01-29

  Die Erfindung betrifft die Hydrierung von aromatischen Verbindungen, insbesondere die Herstellung von alicyclischen Polycarbonsäuren oder deren Estern durch Kernhydrierung der entsprechenden aromatischen Polycarbonsäuren oder deren Ester, sowie hierfür geeignete Katalysatoren.

  本发明涉及芳香族化合物的加氢反应，特别是通过对应的芳香族多羧酸或其酯的核心加氢来制备脂环多羧酸或其酯，以及适用于此的催化剂。
• Method for hydrogenating organic compounds by means of ru/sio2 catalysts
  申请人：——

  公开号：US20040199033A1

  公开（公告）日：2004-10-07

  In a process for hydrogenating at least one organic compound, the organic compound or compounds is/are brought into contact with a hydrogen-containing gas in the presence of a catalyst which comprises, as active metal, ruthenium either alone or together with at least one further metal of transition group I, VII or VIII of the Periodic Table applied to a support material based on amorphons silicon dioxide and is obtainable by: i) a single or multiple treatment of a support material based on amorphous silicon dioxide with a halogen-free aqueous solution of a low molecular weight ruthenium compound and subsequent drying of the treated support material at below 200° C., ii) reduction of the solid obtained in i) by means of hydrogen at from 100 to 350° C., with step ii) being carried out directly after step i).

  在至少一种有机化合物氢化的过程中，有机化合物或化合物被带入含氢气体中，在催化剂的存在下，该催化剂包括作为活性金属的钌单独或与周期表的I，VII或VIII族过渡金属中的至少一种进一步金属一起应用于基于非晶态二氧化硅的支撑材料，并且可以通过以下方式获得：i）用不含卤素的低分子量钌化合物的水溶液对基于非晶态二氧化硅的支撑材料进行单次或多次处理，并在低于200°C的条件下干燥处理所处理的支撑材料，ii）通过在100°C至350°C的温度下用氢还原i）中得到的固体，其中步骤ii）直接在步骤i）之后进行。
• Olefin block copolymers processes for producing the same and uses thereof
  申请人：——

  公开号：US20030055179A1

  公开（公告）日：2003-03-20

  The present invention provides polymers having any one of properties including affinity for metals or polar resins, impact resistance, mar resistance, heat resistance, rigidity, oil resistance, transparency, anti-fogging properties, electric insulating properties, high breakdown voltage, coating properties, low-temperature flexibility, moldability, environmental degradation, fluidity and dispersibility, and provides a process for preparation thereof. The olefin block copolymers (A-1) of the invention are represented by the formula (I) PO 1 —g 1 —B 1 (I) (wherein PO 1 is a segment composed of repeating units derived from an olefin having 2 to 20 carbon atoms, g 1 is an ester, ether, amide, imide, urethane, urea, silylether or carbonyl linkage, and B 1 is a segment containing an unsaturated hydrocarbon or a hetero atom). The olefin block copolymers are suitable for uses in adhesives; various molded articles such as construction and civil engineering materials, automobile interior and exterior materials, gasoline tanks, electric and electronic parts, medical care and sanitation materials, materials of miscellaneous goods, resin materials having environmental degradation properties, films and sheets; modifiers and dispersions.

  本发明提供了具有以下任一性质的聚合物，包括对金属或极性树脂的亲和性，抗冲击性，抗刮伤性，耐热性，刚度，耐油性，透明性，防雾性能，电绝缘性能，高击穿电压，涂料性能，低温柔性，可塑性，环境降解性，流动性和分散性，并提供其制备方法。本发明的烯烃嵌段共聚物（A-1）由公式（I）表示：PO1-g1-B1（I）（其中PO1是由具有2至20个碳原子的烯烃衍生的重复单元组成的片段，g1是酯，醚，酰胺，亚胺，脲，硅醚或羰基连接，B1是含有不饱和碳氢化合物或杂原子的片段）。烯烃嵌段共聚物适用于粘合剂；各种成型品，如建筑和土木工程材料，汽车内外饰料，汽油箱，电子和电气零件，医疗保健和卫生材料，杂货物料，具有环境降解性能的树脂材料，薄膜和片材；改性剂和分散剂。

表征谱图