mono-(2-ethylhexyl) phthalate-d4 | 1276197-22-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: mono-(2-ethylhexyl) phthalate-d4
• 英文别名: rac Mono(ethylhexyl) Phthalate-d4；2,3,4,5-tetradeuterio-6-(2-ethylhexoxycarbonyl)benzoic acid
• CAS: 1276197-22-8
• 化学式: C₁₆H₂₂O₄
• 分子量: 282.317
• InChiKey: DJDSLBVSSOQSLW-NECLWFIRSA-N

物化性质

• 溶解度：
  可溶于氯仿（少许）、甲醇（少许）

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  20
• 可旋转键数：
  9
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  63.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  酞酸酐-d4 、 2-乙基己醇 反应 3.0h， 生成 mono-(2-ethylhexyl) phthalate-d4
  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

• Monitoring of Phthalic Acid Monoesters in River Water by Solid-Phase Extraction and GC-MS Determination
  作者：Toshinari Suzuki、Kumiko Yaguchi、Sukeji Suzuki、Tetsuya Suga

  DOI：10.1021/es001860i

  日期：2001.9.1

  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.