邻苯二甲酸二异十三烷基酯 | 27253-26-5

• 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: 邻苯二甲酸二异十三烷基酯
• 中文别名: 邻苯二甲酸二异十三酯
• 英文名称: diisotridecyl phthalate
• 英文别名: bis(11-methyldodecyl) benzene-1,2-dicarboxylate
• CAS: 27253-26-5
• 化学式: C₃₄H₅₈O₄
• 分子量: 530.832
• InChiKey: BCSGAWBQJHXXSE-UHFFFAOYSA-N

物化性质

• 沸点：
  523.85℃[at 101 325 Pa]
• LogP：
  13.5 at 23℃
• 物理描述：
  Liquid

计算性质

• 辛醇/水分配系数(LogP)：
  13.9
• 重原子数：
  38
• 可旋转键数：
  26
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.76
• 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，这两种物质随后都可以被排出体外。单酯中的末端或倒数第二个碳原子也可以被氧化成醇，该醇可以原样排出，或者首先被氧化成醛、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)

文献信息

• [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。
• Foamable compositions which comprise isononyl benzoate
  申请人：Grass Michael

  公开号：US20050049341A1

  公开（公告）日：2005-03-03

  Compositions for producing foamed products which comprise a chlorinated polymer such as PVC and at least one isomeric nonyl benzoate as a plasticizer, the use of these compositions, and products produced therefrom including PVC-containing floorcoverings, synthetic leather, and wallcoverings.

  本发明涉及一种用于生产发泡产品的组合物，其中包括氯化聚合物，例如PVC和至少一种异构的壬基苯甲酸酯作为增塑剂，以及这些组合物的使用和由其生产的产品，包括含有PVC的地板覆盖物、合成皮革和墙面覆盖物。
• Use of isononyl benzoate as a film-forming agent
  申请人：Grass Michael

  公开号：US20070010599A1

  公开（公告）日：2007-01-11

  The present invention relates to the use of isononyl esters of benzoic acid as film-forming agents in compositions such as emulsion paints, mortars, plasters, adhesives, and varnishes, and also to compositions which comprise film-forming polymers and the isononyl ester of benzoic acid.

  本发明涉及使用苯甲酸异壬酯作为成膜剂，用于乳液漆、灰泥、石膏、胶粘剂和清漆等组合物中，并且涉及包含成膜聚合物和苯甲酸异壬酯的组合物。
• PROCESS FOR PRODUCING EXPANDABLE STYRENE POLYMER COMPOSITIONS
  申请人：Husemann Wolfram

  公开号：US20110291040A1

  公开（公告）日：2011-12-01

  A composition comprising at least one expandable styrene polymer component and at least one cyclohexanecarboxylic ester and also optionally further components can be processed to mechanically robust foam materials.

  本发明涉及一种组合物，包括至少一种可膨胀苯乙烯聚合物组分和至少一种环己烷羧酸酯，还可以选择性地加入其他组分，可加工成具有机械强度的泡沫材料。