邻苯二甲酸正辛正癸酯 | 119-07-3

• 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: 邻苯二甲酸正辛正癸酯
• 中文别名: 邻苯二甲酸正辛、正癸酯；邻苯二甲酸辛基癸基酯；邻苯二甲酸辛癸酯；1,2-苯二甲酸癸基辛基酯
• 英文名称: Octyl decyl phthalate
• 英文别名: 2-O-decyl 1-O-octyl benzene-1,2-dicarboxylate
• CAS: 119-07-3
• 化学式: C₂₆H₄₂O₄
• 分子量: 418.6
• InChiKey: LVAGMBHLXLZJKZ-UHFFFAOYSA-N

物化性质

• 熔点：
  25°C
• 沸点：
  456.33°C (rough estimate)
• 密度：
  0.9800
• 闪点：
  455°F (COC)
• 溶解度：
  可溶于氯仿（少许）、DMSO（少许）、乙酸乙酯（少许）
• 物理描述：
  Octyl decyl phthalate is a colorless liquid with a mild, characteristic odor. Less dense than water and insoluble in water. Hence floats on water. (USCG, 1999)
• 颜色/状态：
  Clear liquid
• 气味：
  Mild characteristic odor
• 蒸汽压力：
  3.88X10-7 mm Hg at 25 °C (est)
• 分解：
  When heated to decomposition, it emits acrid smoke and irritating fumes.
• 折光率：
  Index of refraction: 1.482 at 25 °C

计算性质

• 辛醇/水分配系数(LogP)：
  10.1
• 重原子数：
  30
• 可旋转键数：
  20
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.69
• 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，这是一种由莱迪希细胞分泌的重要激素，对胎儿发育过程中的阴囊韧带（gubernacular ligament）是必需的。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

对人类不具有致癌性（未被国际癌症研究机构IARC列名）。

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，能够引起一系列被称为“邻苯二甲酸酯综合症”的发育畸形。

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)

安全信息

• 海关编码：
  2917349000

文献信息

• [EN] ASYMMETRIC CYCLIC DIESTER COMPOUNDS<br/>[FR] COMPOSÉS DIESTERS CYCLIQUES ASYMÉTRIQUES
  申请人：FERRO CORP

  公开号：WO2011071674A1

  公开（公告）日：2011-06-16

  Compounds useful as plasticizers and the synthesis thereof are disclosed. In general, the invention includes mixed alkyl/aryl asymmetric cyclic diesters where the aryl and alkyl ester moieties are attached to a cyclic structure at vicinal carbons. The invention also includes synthetic processes of making such compounds. Blends of these asymmetric cyclic diesters with other plasticizers are demonstrated to be of use in plasticizing polymers.

  本文披露了作为增塑剂有用的化合物及其合成方法。一般来说，该发明包括混合烷基/芳基不对称环状二酯，其中芳基和烷基酯基连接到环状结构的邻位碳上。该发明还包括制备这类化合物的合成过程。这些不对称环状二酯与其他增塑剂的混合物被证明在增塑聚合物中具有用途。
• 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。
• Asymmetric Cyclic Diester Compounds
  申请人：Bradshaw John D.

  公开号：US20090312470A1

  公开（公告）日：2009-12-17

  Compounds useful as plasticizers and the synthesis thereof are disclosed. In general, the invention includes mixed alkyl/aryl diesters where the aryl and alkyl ester moieties are attached to a cyclic structure at vicinal carbons. The invention also includes synthetic processes of making such compounds.

  本发明揭示了作为增塑剂有用的化合物及其合成方法。总的来说，该发明包括混合的烷基/芳基二酯，其中芳基和烷基酯基团附着在环状结构上的邻位碳上。该发明还包括制备此类化合物的合成过程。
• Ultraviolet light resistant composition of transparent and translucent vinyl polymers
  申请人：The B.F. GOODRICH Company

  公开号：EP0047991A2

  公开（公告）日：1982-03-24

  The invention relates to obtaining weatherability or U.V. light stability in vinyl polymeric translucent and transparent materials, which are designed for use in corrugated roofing, films for greenhouses, and the like. It has been found that by making a composite vinyl polymeric material where the main material or substrate is a transparent or translucent vinyl polymer and capping or coating it with a very thin film of a plasticized vinyl polymer containing a high level of a clear U.V. light absorber or stabilizer, such as, for example 1-cyano-2,2-diphenyl ethylacrylate, excellent weatherability is obtained. The important feature is the concentration of the clear U.V. stabilizer at the surface of the composite material which also results in the use of less U.V. stabilizer.

  本发明涉及获得乙烯基聚合物半透明和透明材料的耐候性或紫外光稳定性，这些材料可用于波纹屋顶、温室薄膜等。研究发现，通过制造一种复合乙烯基聚合物材料，其主要材料或基材是透明或半透明的乙烯基聚合物，并在其表面覆盖或涂覆一层非常薄的塑化乙烯基聚合物薄膜，该薄膜含有大量透明的紫外线吸收剂或稳定剂，例如 1-氰基-2,2-二苯基乙基丙烯酸酯，从而获得极佳的耐候性。其重要特点是透明紫外线稳定剂集中在复合材料的表面，从而减少了紫外线稳定剂的使用量。
• Vinyl chloride plastisol compositions, resins suitable for use therein, and shaped structures made therefrom
  申请人：SUMITOMO CHEMICAL COMPANY, LIMITED

  公开号：EP0042251A1

  公开（公告）日：1981-12-23

  A vinyl chloride plastisol composition comprising 100 parts by weight of a vinyl chloride paste resin and 35 to 180 parts by weight of a plasticizer, said vinyl chloride paste resin having an average particle size of 0.5 to 10 microns, and being composed of 5 to 80% by weight of tetrahydrofuran-insoluble micro-gel fraction and 20 to 95% by weight of tetrahydrofuran-soluble fraction.

  一种氯乙烯塑料溶胶组合物，由 100 重量份的氯乙烯糊状树脂和 35 至 180 重量份的增塑剂组成，所述氯乙烯糊状树脂的平均粒径为 0.5 至 10 微米，由 5 至 80% 的四氢呋喃不溶微凝胶馏分和 20 至 95% 的四氢呋喃可溶馏分组成。

表征谱图