三乙二醇二异辛酸酯 | 94-28-0

• 物质功能分类: 化学试剂 - 有机试剂 - 酯类
• 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: 三乙二醇二异辛酸酯
• 中文别名: 三(乙二醇)双(2-乙基己酸酯)；三甘醇二异辛酸酯；三甘醇二-2-乙基己酸酯；三乙二醇双(2-乙酸己酯)；双(异辛酸)三乙二醇酯
• 英文名称: triethylene glycol di-2-ethylhexanoate
• 英文别名: Triethylene glycol bis(2-ethylhexanoate)；2-[2-[2-(2-ethylhexanoyloxy)ethoxy]ethoxy]ethyl 2-ethylhexanoate
• CAS: 94-28-0
• 化学式: C₂₂H₄₂O₆
• 分子量: 402.572
• InChiKey: FRQDZJMEHSJOPU-UHFFFAOYSA-N

物化性质

• 熔点：
  −50 °C(lit.)
• 沸点：
  344 °C(lit.)
• 密度：
  0.97 g/mL at 25 °C(lit.)
• 闪点：
  >230 °F
• LogP：
  6.1 at 25℃
• 物理描述：
  DryPowder; Liquid; OtherSolid; PelletsLargeCrystals
• 稳定性/保质期：

  在常温常压下稳定，避免与不相容材料接触。它会与强氧化剂反应。

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  28
• 可旋转键数：
  21
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.91
• 拓扑面积：
  71.1
• 氢给体数：
  0
• 氢受体数：
  6

安全信息

• TSCA：
  Yes
• 安全说明：
  S24/25
• WGK Germany：
  -
• 海关编码：
  2918990090
• 危险品标志：
  Xn,Xi
• RTECS号：
  MO7725000
• 危险类别码：
  R22,R36/37/38
• 储存条件：
  密封储存，应置于阴凉干燥处。

SDS

Name:	Triethylene glycol bis(2-ethylhexanoate) Material Safety Data Sheet
Synonym:
CAS:	94-28-0

Section 1 - Chemical Product MSDS Name: Triethylene glycol bis(2-ethylhexanoate) Material Safety Data Sheet
Synonym:

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SECTION 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
94-28-0	Triethylene glycol bis(2-ethylhexanoat	100	202-319-2

Hazard Symbols: None Listed.
Risk Phrases: None Listed.

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SECTION 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Not available. Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation.
Ingestion:
May cause gastrointestinal irritation with nausea, vomiting and diarrhea.
Inhalation:
May cause respiratory tract irritation.
Chronic:
Not available.

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SECTION 4 - FIRST AID MEASURES
Eyes:
Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid immediately.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse.
Ingestion:
If victim is conscious and alert, give 2-4 cupfuls of milk or water. Never give anything by mouth to an unconscious person. Get medical aid immediately.
Inhalation:
Get medical aid immediately. Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen.
Notes to Physician:

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SECTION 5 - FIRE FIGHTING MEASURES
General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
Extinguishing Media:
Use agent most appropriate to extinguish fire. Use water spray, dry chemical, carbon dioxide, or appropriate foam.

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SECTION 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container. Clean up spills immediately, observing precautions in the Protective Equipment section. Provide ventilation.

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SECTION 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use only in a well-ventilated area. Avoid contact with eyes, skin, and clothing. Avoid ingestion and inhalation.
Storage:
Keep container closed when not in use. Store in a cool, dry, well-ventilated area away from incompatible substances.

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SECTION 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Use adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 94-28-0: Personal Protective Equipment
Eyes:
Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.

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SECTION 9 - PHYSICAL AND CHEMICAL PROPERTIES
Physical State: Liquid
Color: colorless
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 219 deg C @ 5.00mm Hg
Freezing/Melting Point: -50 deg C
Autoignition Temperature: 725 deg F ( 385.00 deg C)
Flash Point: 390 deg F ( 198.89 deg C)
Explosion Limits, lower: 0.46 volume %
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water: Negligible.
Specific Gravity/Density: .9670g/cm3
Molecular Formula: C22H42O6
Molecular Weight: 402.57

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SECTION 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, strong oxidants.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Irritating and toxic fumes and gases.
Hazardous Polymerization: Will not occur.

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SECTION 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 94-28-0: MO7725000
LD50/LC50:
CAS# 94-28-0: Dermal, guinea pig: LD50 = >20 mL/kg; Oral, mouse: LD50 = >3200 mg/kg; Oral, rat: LD50 = 31 gm/kg; Skin, rabbit: LD50 = 14100 uL/kg.
Carcinogenicity:
Triethylene glycol bis(2-ethylhexanoate) - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.

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SECTION 12 - ECOLOGICAL INFORMATION
Ecotoxicity:
Fish: Fathead Minnow: > 100 microliters/l; 96 hr.

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SECTION 13 - DISPOSAL CONSIDERATIONS Dispose of in a manner consistent with federal, state, and local regulations.

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SECTION 14 - TRANSPORT INFORMATION IATA Not regulated as a hazardous material. IMO Not regulated as a hazardous material. RID/ADR Not regulated as a hazardous material.

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SECTION 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives
Hazard Symbols: Not available.
Risk Phrases:
Safety Phrases: S 24/25 Avoid contact with skin and eyes. WGK (Water Danger/Protection) CAS# 94-28-0: 1 Canada CAS# 94-28-0 is listed on Canada's DSL List. CAS# 94-28-0 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 94-28-0 is listed on the TSCA inventory.

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SECTION 16 - ADDITIONAL INFORMATION
MSDS Creation Date: 6/02/1998 Revision #3 Date: 2/04/2004 The information above is believed to be accurate and represents the best information currently available to us. However, we make no warranty of merchantability or any other warranty, express or implied, with respect to such information, and we assume no liability resulting from its use. Users should make their own investigations to determine the suitability of the information for their particular purposes. In no way shall the company be liable for any claims, losses, or damages of any third party or for lost profits or any special, indirect, incidental, consequential or exemplary damages, howsoever arising, even if the company has been advised of the possibility of such damages.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

制备方法与用途

应用

目前，三乙二醇二异辛酸酯广泛应用于聚乙烯醇缩丁醛（PVB）安全膜、合成橡胶、聚氯乙烯（PVC）、密封材料等的制备中，具有极大的应用价值。

用途

本品是一种溶剂型耐寒增塑剂，具有优良的低温性、耐久性、耐油性、耐紫外线照射和抗静电性，且粘度低并具有一定的润滑性。它可以与多种天然树脂和合成橡胶相容，并可溶于多数有机溶剂，而不溶于矿物油。在增塑糊中具有触变性，特别适合特殊用途的应用。

本品是聚乙烯醇缩丁醛（PVB安全玻璃）和合成橡胶的特效增塑剂，能赋予它们低温性能和低挥发性。也可用于涤布、粘结剂及密封材料，是PVC、PS、乙基纤维素、硝醛纤维素等的增塑剂。在含蓖麻油的聚乙烯醇缩丁醛布基涂料中使用时，能改善严寒条件下的柔顺性。此外，它还可用于丁二烯-丙烯腈类耐油合成橡胶和聚乙烯乳胶漆的配方中，通常用量比邻苯二甲酸二辛酯或磷酸三甲苯酯都要低。

反应信息

• 作为产物：
  描述：

  2-乙基己酰氯 在 potassium carbonate 作用下， 以 丙醇 为溶剂， 反应 4.0h， 生成 三乙二醇二异辛酸酯
  参考文献：
  名称：

  [EN] SYNTHESIS OF TRIETHYLENE GLYCOL BIS(2-ETHYLHEXANOATE)
  [FR] SYNTHÈSE DE TRIÉTHYLÈNE GLYCOL BIS(2-ÉTHYLHEXANOATE)

  摘要：

  提供了一种用三乙二醇对甲基-2-乙基己酸酯进行酯交换反应以产生三乙二醇二-2-乙基己酸酯的方法。在该过程中，将甲基-2-乙基己酸酯与三乙二醇混合形成第一混合物。在催化剂的存在下加热第一混合物，形成包含甲醇和三乙二醇二-2-乙基己酸酯的第二混合物。将甲醇从第二混合物中分离出来，得到三乙二醇二-2-乙基己酸酯。Na2CO3、CS2CO3、K2CO3、Rb2CO3、甲基钠或异丙酸钛是适合的催化剂。

  公开号：

  WO2020102128A1

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] METHOD OF PREPARING GLYCOL ESTERS WITH LOW COLOR AND PEROXIDE CONTENT<br/>[FR] PROCÉDÉ DE PRÉPARATION D'ESTERS DE GLYCOL À FAIBLE TENEUR EN COULEUR ET EN PEROXYDE
  申请人：SIBUR HOLDING PUBLIC JOINT STOCK CO

  公开号：WO2019059800A1

  公开（公告）日：2019-03-28

  The present invention relates to the field of preparing glycol esters used as plasticizers in the manufacture of films for multilayered glass. In particular, the invention relates to a method for preparing triethylene glycol ester of 2-ethylhexanoic acid. The claimed method includes the steps of esterification, clarification of a crude ester by treating thereof with hydrogen peroxide and alkali metal metasilicate at a temperature of from 70 to 200ºC, inclusive, and allowing to stand for 0.5 to 1.5 hours, inclusive, to obtain a clarified ester, neutralization of acidic compounds in the clarified ester by treating thereof with an alkaline solution, filtration, and drying of the ester. The technical result of the invention is the development of an economical and safe method of preparing glycol esters that are characterized by low values of color, acidity and peroxide content.

  本发明涉及制备用作多层玻璃薄膜制造中的增塑剂的乙二醇酯的领域。具体而言，该发明涉及一种制备2-乙基己酸三乙二醇酯的方法。所述方法包括酯化、通过在70至200ºC的温度下用过氧化氢和硅酸碱金属处理粗酯以澄清粗酯，并静置0.5至1.5小时以获得澄清酯，通过用碱性溶液处理澄清酯中的酸性化合物进行中和，过滤和干燥酯。该发明的技术效果是开发一种经济且安全的制备乙二醇酯的方法，其特点是颜色、酸度和过氧化物含量低。
• [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。

表征谱图