O1-丁基O2-甲基苯-1,2-二羧酸酯 | 34006-76-3

• 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: O1-丁基O2-甲基苯-1,2-二羧酸酯
• 中文别名: 邻苯二甲酸二甲氧基乙酯（DMEP）
• 英文名称: 1,2-benzenedicarboxylic acid, butyl methyl ester
• 英文别名: 1,2-benzendicarboxylic acid butyl methyl ester；Methyl-butyl-phthalat；Methyl-n-butylphthalat；phthalic acid butyl ester-methyl ester；Phthalsaeure-butylester-methylester；Butyl methyl phthalate；2-O-butyl 1-O-methyl benzene-1,2-dicarboxylate
• CAS: 34006-76-3
• 化学式: C₁₃H₁₆O₄
• 分子量: 236.268
• InChiKey: XXFSYINDUHLBIL-UHFFFAOYSA-N

物化性质

• 沸点：
  384.9°C (rough estimate)
• 密度：
  1.2640 (rough estimate)
• 保留指数：
  1663

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  17
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

ADMET

代谢

在怀孕大鼠中，DMEP迅速水解为2-甲氧基乙醇（2-ME）和单-2-甲氧基乙基酞酸酯（MMEP）。然后，2-ME被氧化为甲氧基乙酸（MAA）。大鼠胎儿几乎没有或没有能力将DMEP水解为单酯，而完整的DMEP会迅速通过胎盘转移到胎儿中。

In pregnant rat, DMEP rapidly undergoes hydrolysis to 2-methoxyethanol (2-ME) and mono-2-methoxyethyl phthalate (MMEP). 2-ME is then oxidised to methoxyacetic acid (MAA). The rat foetus has little or no ability to hydrolyse DMEP to the monoester and intact DMEP is rapidly transferred across the placenta into the foetus. (L1210)

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)

安全信息

• 海关编码：
  2917349000

反应信息

• 作为反应物：
  描述：

  O1-丁基O2-甲基苯-1,2-二羧酸酯 生成 邻苯二甲酸
  参考文献：
  名称：

  Jinmei Pang, Huanjing kexue (Chin. J. Environ. Sci.), 15 (1994) N 3, S 88-90

  摘要：

  DOI：
• 作为产物：
  描述：

  重氮甲烷 、 邻苯二甲酸单丁酯 以 乙醚 为溶剂， 反应 0.5h， 生成 O1-丁基O2-甲基苯-1,2-二羧酸酯
  参考文献：
  名称：

  Monitoring of Phthalic Acid Monoesters in River Water by Solid-Phase Extraction and GC-MS Determination

  摘要：

  An analytical method for monitoring 10 phthalic acid monoesters in river water was investigated by solid-phase extraction, methylation with diazomethane, and GCMS. Two cartridge-type solid phases packed with octadesyl-coated silica (C-18) and styrenedivinyl polymer (PS-2) and one disk-type solid phase made from octadesyl-coated styrene-divinylbenzene polymer (SDB-XD) were investigated in solid-phase extraction. PS-2 gave the highest recoveries of the three solid phases, and recoveries of more than 80% of the monoesters in filtered water samples were obtained at pH 2 to 3 with PS-2 at the spiked level of 0.1 mug L-1, except for monomethyl-phthalate (MMP), in which more than 72% of the monoesters were recovered. For the monoesters in the suspended solids (SS), an acidic methanol extract of SS was added to purified water acidified to pH 2, and the monoesters were extracted with PS-2. The recoveries of the monoesters in SS were more than 80%, but the recoveries of MMP were more than 57%. The method detection limit (MDL) of each phthalic acid monoester in 500 mL of water sample and in 2 mg of dry weight of SS ranged from 0.010 to 0.030 mug L-1 and from 1 to 11 mug g(-1) respectively. Monitoring of phthalic acid monoesters in the Tama River in Tokyo was conducted every month from March 1999 to February 2000 using the present method. MMP, mono-n-butyl-phthalate (MBP), and mono-(2-ethylhexyl)-phthalate (MEHP)were detected at concentrations of 0.030-0.0340, 0.010-0.480, and 0.010-1.30 mug L-1, respectively, in the filtered water samples but were not detected in SS. Dim ethyl-phthalate (DMP), di-n-butyl-phthalate (DBP), and di-(2-ethylhexyl)-phthalate (DEHP) were detected in the river water at concentrations of 0.010-0.092, 0.008-0.540, and 0.013-3.60 Pg L-1, respectively. Diethyl-, di-iso-butyl-, and benzylbutyl-phthalates were also detected at concentrations of nanograms per liter, whereas the corresponding monoesters did not appear. The concentrations of MBP and MEHP in the river water were slightly lower than those of the corresponding diesters at the majority of sampling sites and sampling times.

  DOI：

  10.1021/es001860i

文献信息

• A solid catalyst component for the polymerization of olefins and an olefin polymerization catalyst
  申请人：TOHO TITANIUM CO. LTD.

  公开号：EP0297163A1

  公开（公告）日：1989-01-04

  A solid catalyst component prepared by washing a solid substance, which has been obtained by reacting diethoxymagnesium (a) suspended in an alkylbenzene (b) with titanium tetracloride (c) in an amount less than l/2 of the alkylbenzene (b) in a ratio by volume and a phthalic diester (d) at a temperature within the range of 80-l35°C, with an alkylbenzene, and thereafter reacting the solid substance in a presence of an alkylbenzene (b) with titanium tetrachloride (c) in an amount less than l/2 of the alkylbenzene (b) in a ratio by volume as well as an olefin polymerization catalyst comprising (A) the solid catalyst component specified above, (B) a silicon compound of the general formula:     SiRm(OAlk)4-m wherein R is a group selected from an alkyl group, a cycloalkyl group, an aryl group and vinyl group, Alk is an alkyl group and m is 0 or an integer of l-3, with the proviso that when R is an alkyl group, R may be identical with Alk and when m is l, 2 or 3, the R groups and/or the Alk groups may respectively be identical or different, and (C) an organoaluminum compound. This catalyst is capable of exhibiting a high polymerization activity combined with a high stereospecific performance and producing stereoregular olefin polymers in a high yield.

  一种固体催化剂组分，其制备方法是：将悬浮于烷基苯（b）中的二乙氧基镁（a）与四氯化钛（c）（按体积比，其用量少于烷基苯（b）的 l/2）和邻苯二甲酸二酯（d）在 80-l35°C 范围内的温度下反应，然后将固体物质与烷基苯（b）和四氯化钛（c）（按体积比，其用量少于烷基苯（b）的 l/2）反应、与烷基苯反应，然后在有烷基苯（b）存在的情况下，使固体物质与四氯化钛（c）反应，四氯化钛（c）的用量按体积比少于烷基苯（b）的 l/2，以及烯烃聚合催化剂，烯烃聚合催化剂包括 (A) 上述固体催化剂组分、 (B) 通式如下的硅化合物 SiRm(OAlk)4-m 其中 R 是选自烷基、环烷基、芳基和乙烯基的基团，Alk 是烷基，m 是 0 或 l-3 的整数，但当 R 是烷基时，R 可与 Alk 相同，当 m 是 l、2 或 3 时，R 基团和/或 Alk 基团可分别相同或不同，以及 (C) 有机铝化合物。 这种催化剂能表现出较高的聚合活性和较高的立体特异性能，并能以较高的产率生产立体配位的烯烃聚合物。
• Fuel oil composition for diesel engines
  申请人：TONEN CORPORATION

  公开号：EP0861882A1

  公开（公告）日：1998-09-02

  The present invention is directed to a fuel oil for diesel engines, which is reduced in the discharges of particulate matters (PM) and carbon dioxide (CO) in exhaust gas upon combustion while retaining a high cetane number, characterized in that the fuel oil composition comprises a mineral oil as a principal component; and (a) 2-13 wt% of one or more dialkyl phthalate compounds represented by the chemical formula (1), and (b) 2-13 wt% of one or more glycol ether compounds represented by the chemical formula (2); and    the total content of said components (a) and (b) is from 4 to 15 wt%.

  本发明涉及一种用于柴油发动机的燃料油，该燃料油在燃烧时可减少废气中微粒物质（PM）和二氧化碳（CO）的排放，同时保持较高的十六烷值，其特征在于该燃料油组合物包括作为主要成分的矿物油；以及 (a) 2-13 wt%的一种或多种邻苯二甲酸二烷基酯化合物，其化学式为 (1)，以及 (b) 2-13% 的一种或多种乙二醇醚化合物，由化学式 (2) 表示；以及 所述成分（a）和（b）的总含量为 4 至 15 wt%。
• PROCESS FOR THE PREPARATION OF CYCLOHEXANEDIMETHANOL
  申请人：NEW JAPAN CHEMICAL CO.,LTD.

  公开号：EP0922690A1

  公开（公告）日：1999-06-16

  This invention provides a process for preparing cyclohexanedimethanol comprising hydrogenating a cyclohexanedicarboxylic acid dialkyl ester by a fixed-bed continuous reaction in the presence of a preformed copper-containing catalyst under the conditions of reaction temperature of 200 to 280°C, hydrogen pressure of 185 to 300 kgf/cm2 and hydrogen gas feed rate of 1 to 40 cm/s in terms of superficial linear velocity, the cyclohexanedicarboxylic acid dialkyl ester being prepared, typically, by ring hydrogenating of an aromatic dicarboxylic acid dialkyl ester in the presence of a preformed supported ruthenium catalyst by a fixed-bed continuous reaction.

  本发明提供了一种制备环己烷二甲醇的工艺，该工艺包括在预制含铜催化剂存在下，通过固定床连续反应对环己烷二羧酸二烷基酯进行氢化，反应温度为200至280℃，氢气压力为185至300千克/平方厘米，氢气进料速度为1至40厘米/秒、氢气压力为 185 至 300 kgf/cm2，氢气进料速度（以表面线速度计）为 1 至 40 cm/s，环己烷二羧酸二烷基酯的制备通常是通过芳香族二羧酸二烷基酯在预制的支撑钌催化剂存在下通过固定床连续反应进行环氢化。
• COSMETIC COMPOSITIONS, METHOD FOR PREPARING A COSMETIC COMPOSITION, COSMETIC USE OF THE COMPOSITION AND COSMETIC METHOD FOR STRAIGHTENING AND/OR SHAPING KERATINOUS MATERIALS
  申请人：De Almeida, Guilherme Beltrão

  公开号：EP2769710A1

  公开（公告）日：2014-08-27

  The present invention relates to a new cosmetic product for treating keratinous materials, particularly hair, to the method for preparing the cosmetic product, and to a cosmetic method for the care of keratinous material using these compositions.

  本发明涉及一种用于处理角质材料（尤其是头发）的新型化妆品、制备该化妆品的方法以及使用这些组合物护理角质材料的化妆品方法。
• Procatalysts, catalyst systems, and use in olefin polymerization
  申请人：——

  公开号：US20010025005A1

  公开（公告）日：2001-09-27

  There are described solid procatalysts, catalyst systems incorporating the solid procatalysts, and the use of the catalyst systems in olefin polymerization and interpolymerization.

  本文介绍了固体原催化剂、含有固体原催化剂的催化剂体系以及催化剂体系在烯烃聚合和互聚中的应用。