三乙二醇二(2-乙基丁酸酯) | 95-08-9

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 中文名称: 三乙二醇二(2-乙基丁酸酯)
• 英文名称: 1,2-bis-[2-(2-ethyl-butyryloxy)-ethoxy]-ethane
• 英文别名: 1,2-Bis-[2-(2-aethyl-butyryloxy)-aethoxy]-aethan；2,2'-ethylenedioxydiethyl bis(2-ethylbutyrate)；2-ethyl-butanoic acid, 1,2-ethanediylbis(oxy-2,1-ethanediyl) ester；triethylene glycol di-2-ethylbutyrate；Triethylene glycol bis(2-ethylbutyrate)；2-[2-[2-(2-ethylbutanoyloxy)ethoxy]ethoxy]ethyl 2-ethylbutanoate
• CAS: 95-08-9
• 化学式: C₁₈H₃₄O₆
• 分子量: 346.464
• InChiKey: JEYLQCXBYFQJRO-UHFFFAOYSA-N

物化性质

• 熔点：
  -10 °C
• 沸点：
  401.18°C (rough estimate)
• 密度：
  0.9950
• 物理描述：
  Triethylene glycol di-(2-ethylbutyrate) is a light colored liquid. (USCG, 1999)
• 颜色/状态：
  LIGHT-COLORED LIQUID
• 闪点：
  385 °F (USCG, 1999)
• 溶解度：
  0.02% BY WT IN WATER @ 20 °C
• 蒸汽压力：
  5.8 MM HG @ 200 °C
• 粘度：
  10.3 CENTIPOISES @ 20 °C

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  24
• 可旋转键数：
  17
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  71.1
• 氢给体数：
  0
• 氢受体数：
  6

ADMET

毒理性

• TSCA 测试提交

三乙烯甘油二（2-乙基丁酸酯）的急性吸入毒性在六只大鼠（未报告品种）中进行了评估，这些大鼠全身暴露于实验物质。动物暴露于通过将空气流过170摄氏度的实验物质形成的雾中。导致无死亡和所有动物死亡的最大和最小暴露时间分别为15分钟和30分钟。

The acute inhalation toxicity of triethylene glycol di(2-ethylbutyrate) was evaluated in groups of six rats (strain not reported) receiving whole body exposure. Animals were exposed to the mist formed by bubbling a stream of air through test article at 170 degrees Celsius. The maximum and minimum periods of exposure resulting in no fatality and all animals dying were 15 and 30 minutes, respectively.

来源:Hazardous Substances Data Bank (HSDB)

安全信息

• 海关编码：
  2918990090

文献信息

• Process for preparing polyol esters
  申请人：Adamzik Michael

  公开号：US20110087045A1

  公开（公告）日：2011-04-14

  The present invention relates to a process for preparing polyol esters by reacting polyols with linear or branched aliphatic monocarboxylic acids having 3 to 20 carbon atoms by partial recycling of the aliphatic monocarboxylic acid removed into the esterification reaction or into subsequent esterification batches.

  本发明涉及一种通过将多元醇与具有3至20个碳原子的线性或支链脂肪族一元羧酸反应，通过将从酯化反应中去除的脂肪族一元羧酸部分回收到酯化反应或随后的酯化批次中制备聚醇酯的方法。
• PROCESS FOR PREPARING POLYOL ESTERS
  申请人：Frey Guido D.

  公开号：US20120190883A1

  公开（公告）日：2012-07-26

  The present invention relates to a process for preparing polyol esters by reacting polyols with linear or branched aliphatic monocarbocxylic acids having 3 to 20 carbon atoms, the reaction taking place in the presence of a Lewis acid comprising at least one element from groups 4 to 14 of the Periodic Table of the Elements as catalyst, and in the presence of an adsorbent, the reaction product being subjected subsequently to a steam treatment.

  本发明涉及一种通过将多元醇与具有3至20个碳原子的直链或支链脂肪族单羧酸反应制备聚醇酯的方法，其中反应在存在作为催化剂的周期表元素4至14族中至少一个元素的路易斯酸和吸附剂的情况下进行，并且随后将反应产物进行蒸汽处理。
• [EN] PHOTOCHROMIC AND ELECTROCHROMIC DIARYLETHENE COMPOUNDS WITH IMPROVED PHOTOSTABILITY AND SOLUBILITY<br/>[FR] COMPOSÉS DIARYLÉTHÈNE PHOTOCHROMIQUES ET ÉLECTROCHROMES PRÉSENTANT UNE PHOTOSTABILITÉ ET UNE SOLUBILITÉ AMÉLIORÉES
  申请人：SWITCH MAT INC

  公开号：WO2020198868A1

  公开（公告）日：2020-10-08

  A diarylethene compound reversibly convertible under photochromic and electrochromic conditions between a ring-open isomer of Formula (1A) and a ring-closed isomer of Formula (IB) wherein R5 is a substituted phenyl ring and Re is a substituted thiophene ring is provided. The photochromic-electrochromic diarylethene compound of Formula (1A)/(1B) have improved photochromic, electrochromic or photochromic and electrochromic properties, and is useful to provide variation of the light transmission properties of optical filters. The compound also possesses improved solubility making it suitable for incorporation in commercial products..

  一种二芳基乙烯化合物，在光致色变和电致色变条件下，在式（1A）的环开异构体和式（1B）的环闭异构体之间可逆转换，其中R5是取代苯环，Re是取代噻吩环。式（1A）/（1B）的光致-电致色变二芳基乙烯化合物具有改进的光致、电致或光致和电致性能，并可用于改变光学滤光片的透光性能。该化合物还具有改进的溶解性，适合用于商业产品中。
• Method for Producing Polyol Esters
  申请人：OXEA GmbH

  公开号：US20150344400A1

  公开（公告）日：2015-12-03

  A process for preparing polyol esters by reacting polyols with linear or branched aliphatic monocarboxylic acids having 3 to 20 carbon atoms, is characterized in that a mixture of the starting compounds is allowed to react in the presence of a Lewis acid containing at least one element of groups 4 to 14 of the periodic table of the elements as a catalyst and in the presence of an adsorbent with removal of the water formed, and then the crude ester obtained is aftertreated by adding a further adsorbent which is an acidic activated carbon having a pH of 1 to 6.5.

  通过将具有3至20个碳原子的线性或支链脂肪族一元羧酸与多元醇反应来制备聚醇酯的方法，其特征在于允许起始化合物的混合物在含有周期表元素4至14族中至少一个元素的路易斯酸存在下反应，并在吸附剂的存在下去除生成的水，然后通过添加具有pH值为1至6.5的酸性活性碳的进一步吸附剂对得到的粗酯进行后处理。
• Method for Post-Treating Polyol Esters
  申请人：OXEA GMBH

  公开号：US20160207871A1

  公开（公告）日：2016-07-21

  A batchwise process for aftertreatment of polyol esters prepared by reacting polyols of the general formula (II) H—(—O—[—CR 1 R 2 —] m —) o —OH   (II) in which R 1 and R 2 are each independently hydrogen, an alkyl radical having 1 to 5 carbon atoms, preferably methyl, ethyl or propyl, or a hydroxyalkyl radical having 1 to 5 carbon atoms, preferably the hydroxymethyl radical, m is an integer from 1 to 10, preferably 1 to 8 and especially 1, 2, 3 or 4, o is an integer from 2 to 15, preferably 2 to 8 and especially 2, 3, 4 or 5, with excess linear or branched aliphatic monocarboxylic acids having 3 to 20 carbon atoms and having a lower boiling point than the polyols used. The process is carried out in the presence of a Lewis acid and in the presence of an adsorbent, while removing the water formed, characterized in that the excess monocarboxylic acid is removed by distillation and water is added to the crude ester obtained at a temperature below the boiling point of water at the particular pressure and the crude ester with added water is aftertreated with avoidance of basic compounds, and the sparingly soluble conversion products and the adsorbent present in the esterification reaction are filtered off.

  一种批处理工艺，用于处理通过将通式（II）中的多元醇与过量的线性或支链脂肪族一元羧酸反应制备的聚醚酯： H—(—O—[—CR1R2—]m—)o—OH   (II) 其中R1和R2各自独立地是氢、具有1至5个碳原子的烷基基团，优选为甲基、乙基或丙基，或具有1至5个碳原子的羟基烷基基团，优选为羟甲基基团，m是1至10的整数，优选为1至8，特别是1、2、3或4，o是2至15的整数，优选为2至8，特别是2、3、4或5，所述工艺在存在Lewis酸和吸附剂的情况下进行，同时除去生成的水，其特征在于通过蒸馏去除过量的一元羧酸，并在低于水在特定压力下的沸点的温度下向得到的粗酯中加入水，然后在避免碱性化合物的情况下处理带有添加水的粗酯，并过滤掉酯化反应中存在的难溶性转化产物和吸附剂。

表征谱图