邻苯二甲酸丁酯正葵酯 | 89-19-0

• 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: 邻苯二甲酸丁酯正葵酯
• 中文别名: 邻苯二甲酸丁基正葵酯
• 英文名称: 1,2-benzenedicarboxylic acid, butyl decyl ester
• 英文别名: Butyl decyl phthalate；1-O-butyl 2-O-decyl benzene-1,2-dicarboxylate
• CAS: 89-19-0
• 化学式: C₂₂H₃₄O₄
• 分子量: 362.51
• InChiKey: NJMAFLHPUNGKOD-UHFFFAOYSA-N

物化性质

• 沸点：
  414.1°C (rough estimate)
• 密度：
  1.0216 (rough estimate)
• LogP：
  7.809 (est)

计算性质

• 辛醇/水分配系数(LogP)：
  8
• 重原子数：
  26
• 可旋转键数：
  16
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.64
• 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，这种醇可以原样排出，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

制备方法与用途

类别：有毒物质
毒性分级：低毒
急性毒性：口服-大鼠 LD50: 20800 微升/公斤
可燃性危险特性：热分解排出辛辣刺激烟雾
储运特性：库房低温干燥通风
灭火剂：水、干粉、二氧化碳、泡沫

文献信息

• Dicarboxylic diester, process for producing the same, and refrigerating machine lubricating oil comprising the ester
  申请人：Kawahara Yasuyuki

  公开号：US20050038283A1

  公开（公告）日：2005-02-17

  A diester represented by the formula wherein A represents a cyclohexane ring, cyclohexene ring or benzene ring, X is H or methyl group, R X and R Y are the same or different and each is C3-C18 branched-chain alkyl group, C1-C18 straight-chain alkyl group, C2-C18 straight-chain alkenyl or C3-C18 cycloalkyl, provided that when A is a benzene ring, R X and R Y are different from each other and —COOR X and —COOR Y are attached to two adjacent carbon atoms of the benzene ring, and having the following properties: 1) a total acid number of 0.05 mgKOH/g or less, 2) a sulfated ash content of 10 ppm or less, 3) a sulfur content of 20 ppm or less, 4) a phosphorus content of 20 ppm or less, 5) a peroxide value of 1.0 meq/kg or less, 6) a carbonyl value of 10 or less; 7) a volume resistivity of 1×10 11 Ω·cm or more, 8) a hydroxyl value of 3 mgKOH/g or less, and 9) a water content of 100 ppm or less, a process for preparing the same and a refrigerator lubricating oil comprising the diester.

  由以下公式表示的二酯，其中A代表环己烷环、环己烯环或苯环，X为H或甲基基团，RX和RY相同或不同，且每个均为C3-C18支链烷基基团、C1-C18直链烷基基团、C2-C18直链烯基或C3-C18环烷基，前提是当A为苯环时，RX和RY彼此不同，且—COORX和—COORY连接到苯环的两个相邻碳原子，并具有以下特性：1）总酸值为0.05 mgKOH/g或更低，2）硫酸盐灰分含量为10 ppm或更低，3）硫含量为20 ppm或更低，4）磷含量为20 ppm或更低，5）过氧化值为1.0 meq/kg或更低，6）羰基值为10或更低；7）体积电阻率为1×1011Ω·cm或更高，8）羟值为3 mgKOH/g或更低，9）水含量为100 ppm或更低，制备该二酯的方法以及包含该二酯的制冷剂润滑油。
• 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。
• Compositions based on a polysiloxane and an organo titanate and the use thereof in the preparation of water curable, silane modified alkylene-alkyl acrylate copolymers
  申请人：UNION CARBIDE CORPORATION

  公开号：EP0120115A1

  公开（公告）日：1984-10-03

  This invention relates to compositions comprising a polysiloxane and an organo titanate and the use thereof in the production of water curable, silane modified alkylene-alkyl acrylate copolymers which can be applied as extrudates about wires and cables. Disclosed are also flame retardant compositions, devoid of halogenated flame retardant additives, based on water curable, silane modified alkylene-alkyl acrylate copolymers.

  本发明涉及由聚硅氧烷和有机钛酸酯组成的组合物及其在生产水固化硅烷改性亚烷基-烷基丙烯酸酯共聚物中的应用，该共聚物可作为挤出物用于电线和电缆。此外，还公开了以水固化硅烷改性烷基-烷基丙烯酸酯共聚物为基础、不含卤化阻燃添加剂的阻燃组合物。
• Compositions based on alkylene-alkyl acrylate copolymers and silanol condensation catalysts; and the use thereof in the production of covered wires and cables
  申请人：UNION CARBIDE CORPORATION

  公开号：EP0129121A1

  公开（公告）日：1984-12-27

  The disclosure of this application relates to compositions based on alkylene-alkyl acrylates and silanol condensation catalysts which are useful in the preparation ofwater-curable, silane modified alkylene-alkyl acrylate copolymers, capable of extrusion about wires and cables.

  本申请公开的内容涉及基于亚烷基-烷基丙烯酸酯和硅烷醇缩合催化剂的组合物，该组合物可用于制备水固化硅烷改性亚烷基-烷基丙烯酸酯共聚物，可挤出电线和电缆。
• Method for enhancing ionizing radiation resistance of polymer compositions
  申请人：GENERAL ELECTRIC COMPANY

  公开号：EP0152012A2

  公开（公告）日：1985-08-21

  The normal tendency of aromatic polycarbonate homopolymers and copolymers, alone or in blends with second resins, to undergo yellowing when exposed to ionizing radiation, as in certain sterilizing procedures, is diminished or eliminated by the inclusion of compounds having the effect of increasing the radiation resistance of the polymers. These compounds are, in general, characterized by a strong oxidizing action and/or reaction at high reaction rate with active species such as H radicals, OH radicals and/or hydrated electrons formed by ionizing radiation.

  芳香族聚碳酸酯均聚物和共聚物单独使用或与第二种树脂混合使用时，在暴露于电离辐射（如在某些消毒程序中）时，通常会出现变黄的趋势，而加入具有提高聚合物抗辐射性效果的化合物后，这种趋势会减弱或消失。这些化合物一般具有强氧化作用和/或与电离辐射形成的 H 自由基、OH 自由基和/或水合电子等活性物质发生高反应速度的反应。

表征谱图