2-乙基己酸酐 | 36765-89-6

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 中文名称: 2-乙基己酸酐
• 英文名称: 2-ethylhexanoic anhydride
• 英文别名: 2-ethyl 1-hexanoic anhydride；2-ethylhexanoyl 2-ethylhexanoate
• CAS: 36765-89-6
• 化学式: C₁₆H₃₀O₃
• mdl: MFCD00043963
• 分子量: 270.412
• InChiKey: TVPCUVQDVRZTAL-UHFFFAOYSA-N

物化性质

• 沸点：
  163 °C (16 mmHg)
• 密度：
  0.9909
• 稳定性/保质期：
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计算性质

• 辛醇/水分配系数(LogP)：
  5.6
• 重原子数：
  19
• 可旋转键数：
  12
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.875
• 拓扑面积：
  43.4
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 危险品标志：
  Xi
• 安全说明：
  S24/25
• 危险类别码：
  R36/37/38
• 海关编码：
  2915900090

SDS

Name:	2-Ethylhexanoic anhydride, 95+% Material Safety Data Sheet
Synonym:	None.
CAS:	36765-89-6

Section 1 - Chemical Product MSDS Name: 2-Ethylhexanoic anhydride, 95+% Material Safety Data Sheet
Synonym: None.

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SECTION 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
36765-89-6	2-ethylhexanoic anhydride	95+	253-195-1

Hazard Symbols: XI
Risk Phrases: 36/37/38

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SECTION 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Irritating to eyes, respiratory system and skin.Moisture sensitive. Potential Health Effects
Eye:
Causes eye irritation. May cause chemical conjunctivitis.
Skin:
Causes skin irritation.
Ingestion:
May cause gastrointestinal irritation with nausea, vomiting and diarrhea.
Inhalation:
Causes respiratory tract irritation. Can produce delayed pulmonary edema.
Chronic:
Effects may be delayed.

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SECTION 4 - FIRST AID MEASURES
Eyes:
Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
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:
Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water.
Inhalation:
Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid. Do NOT use mouth-to-mouth resuscitation.
Notes to Physician:
Treat symptomatically and supportively.

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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:
Do NOT get water inside containers. 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. Provide ventilation. Do not get water inside containers.

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SECTION 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Avoid contact with eyes, skin, and clothing. Avoid ingestion and inhalation. Use with adequate ventilation. Do not allow contact with water. Keep from contact with moist air and steam.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Store protected from moisture.

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SECTION 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 36765-89-6: 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:
A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use.

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SECTION 9 - PHYSICAL AND CHEMICAL PROPERTIES
Physical State: Liquid
Color: yellow orange
Odor: none reported
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 163 deg C @ 16.00 mmHg
Freezing/Melting Point: Not available.
Autoignition Temperature: Not applicable.
Flash Point: > 212 deg C (> 413.60 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature: Not available.
Solubility in water: negligible
Specific Gravity/Density: Not available.
Molecular Formula: C16H30O3
Molecular Weight: 270.40

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SECTION 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable at room temperature in closed containers under normal storage and handling conditions. Moisture sensitive.
Conditions to Avoid:
Incompatible materials, moisture, excess heat, strong oxidants.
Incompatibilities with Other Materials:
Moisture, strong oxidizing agents.
Hazardous Decomposition Products:
Irritating and toxic fumes and gases.
Hazardous Polymerization: Has not been reported

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SECTION 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 36765-89-6 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2-ethylhexanoic anhydride - Not listed by ACGIH, IARC, or NTP.

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SECTION 12 - ECOLOGICAL INFORMATION

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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: XI
Risk Phrases:
R 36/37/38 Irritating to eyes, respiratory system and skin.
Safety Phrases:
S 24/25 Avoid contact with skin and eyes. WGK (Water Danger/Protection) CAS# 36765-89-6: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 36765-89-6 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 36765-89-6 is not listed on the TSCA inventory. It is for research and development use only.

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SECTION 16 - ADDITIONAL INFORMATION
MSDS Creation Date: 9/02/1997 Revision #5 Date: 3/18/2003 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

反应信息

• 作为反应物：
  描述：

  2-乙基己酸酐 生成 2-Chlorsulfonyl-2-aethyl-capronsaeurechlorid
  参考文献：
  名称：

  Auf das Zentralnervensystem wirkende Substanzen XXIX。Überneuartige schwefelhaltige杂环素：4,4-二烷基-1,2-硫氮杂环丁烷-3-on-1,1-二氧化物和2,4,4-三烷基-1,2-硫氮杂环丁烷-3-on-1,1-二氧化物

  摘要：

  Es wird der Aufbau von 4,4-Dialkyl-1，2-thioazetidin-3-on-1,1-dioxiden beschrieben，die Erivs bisher praktisch unbekannten viergliedrigen Heterocyclus mit zwei benachbarten Heteroatomen sind。Diese Substanzen werden aus denα，α-Dialkylsulfonylessigsäure-dinatriumsalzenüberdie entsprechendenSäuredichloridemit Ammoniak erhalten。Neben der Synthese wirdüberchemische und physikalische Eigenschaften dieser neuen

  DOI：

  10.1002/hlca.19620450238
• 作为产物：
  描述：

  2-乙基-己酸稀土盐 生成 2-乙基己酸酐
  参考文献：
  名称：

  Auf das Zentralnervensystem wirkende Substanzen XXIX。Überneuartige schwefelhaltige杂环素：4,4-二烷基-1,2-硫氮杂环丁烷-3-on-1,1-二氧化物和2,4,4-三烷基-1,2-硫氮杂环丁烷-3-on-1,1-二氧化物

  摘要：

  Es wird der Aufbau von 4,4-Dialkyl-1，2-thioazetidin-3-on-1,1-dioxiden beschrieben，die Erivs bisher praktisch unbekannten viergliedrigen Heterocyclus mit zwei benachbarten Heteroatomen sind。Diese Substanzen werden aus denα，α-Dialkylsulfonylessigsäure-dinatriumsalzenüberdie entsprechendenSäuredichloridemit Ammoniak erhalten。Neben der Synthese wirdüberchemische und physikalische Eigenschaften dieser neuen

  DOI：

  10.1002/hlca.19620450238
• 作为试剂：
  描述：

  季戊四醇 、 2-乙基-己酸稀土盐 在 2-乙基己酸酐 作用下， 反应 6.5h， 生成 季戊四醇四(2-乙基乙酸酯)
  参考文献：
  名称：

  USE OF ACID ANHYDRIDE ACCELERANTS FOR THE PRODUCTION OF HIGH PURITY POLYOL ESTERS

  摘要：

  一种生产高纯度聚醇酯的方法包括将聚醇与线性或支链脂肪族单羧基C3-20酸的过量反应，酯化聚醇的总量不超过聚醇总量，形成具有羟值在7至约50毫克KOH/g之间的中间反应组成物。然后向中间反应组成物中添加相应的线性或支链脂肪族单羧基C3-20酸的酐，其量为中间组成物中可用OH的1至约2.5当量，形成反应混合物。将反应混合物加热5-30分钟，或直到所有相应的酐反应形成反应产物。然后对反应产物去酸。在上述任何反应步骤中，不存在任何浓度高于约15ppm的金属或酸催化剂或漂白剂。

  公开号：

  US20180194712A1

文献信息

• GLYCERYL ASCORBIC ACID ACYLATED DERIVATIVE OR ITS SALT, PRODUCTION METHOD THEREOF, AND COSMETICS
  申请人：YOSHIOKA Masato

  公开号：US20130204017A1

  公开（公告）日：2013-08-08

  A glyceryl ascorbic acid acylated derivative or its salt, which has an ascorbic acid structure where 2- and/or 3-positions of the structure are substituted with glyceryl groups and some of the hydroxyl groups in the structure and/or in the glyceryl group are acylated, a production method of the glyceryl ascorbic acid acylated derivative and a cosmetic containing the glyceryl ascorbic acid acylated derivative or its salt are provided.

  提供一个甘油抗坏血酸酰化衍生物或其盐，其具有抗坏血酸结构，其中2-和/或3-位被甘油基团取代，并且结构中的一些羟基和/或甘油基团被酰化，提供甘油抗坏血酸酰化衍生物的生产方法，以及包含甘油抗坏血酸酰化衍生物或其盐的化妆品。
• Ti-<i>Crossed</i>-Claisen Condensation between Carboxylic Esters and Acid Chlorides or Acids:  A Highly Selective and General Method for the Preparation of Various β-Keto Esters
  作者：Tomonori Misaki、Ryohei Nagase、Kunshi Matsumoto、Yoo Tanabe

  DOI：10.1021/ja043833o

  日期：2005.3.9

  condensation between a 1:1 mixture of carboxylic esters and acid chlorides promoted by TiCl4-Bu3N-N-methylimidazole proceeded successfully to give various beta-keto esters in good yields with excellent selectivities (19 examples, approximately 48-95% yield; cross/self-selectivity = approximately 96/4-99/1). The present method was extended to the condensation between a 1:1 mixture of carboxylic acids and carboxylic

  由 TiCl4-Bu3N-N-甲基咪唑促进的羧酸酯和酰氯的 1:1 混合物之间的 Ti-crossed-Claisen 缩合成功地以良好的收率和优异的选择性得到各种 β-酮酯（19 个例子，大约 48-95 % 产率；交叉/自选择性 = 约 96/4-99/1)。本方法扩展到羧酸和羧酸酯的 1:1 混合物之间的缩合（六个实施例，产率约 70-92%；交叉/自选择性 = 约 91/9-99/1）。为了证明目前两种 Ti 交叉克莱森缩合的效用，我们对两种天然、代表性和有用的香水顺式茉莉酮和 (R)-麝香酮进行了几次有效的短步合成。
• Oligonucleotide with protected base
  申请人：Ajinomoto Co., Inc.

  公开号：US09371353B2

  公开（公告）日：2016-06-21

  The present invention provides a protected nucleotide for elongation, which can be purified efficiently and in a high yield by a liquid-liquid extraction operation, and can achieve an oligonucleotide production method by a phosphoramidite method. It has been found that the above-mentioned problem can be solved by a particular oligonucleotide comprising a protected base and/or particular oligonucleotide protected by a branched chain-containing aromatic group at 3′-position.

  本发明提供了一种用于延伸的受保护核苷酸，可以通过液液萃取操作高效地和高产率地纯化，并且可以通过磷酰胺酯法实现寡核苷酸的生产方法。已经发现，上述问题可以通过包含受保护碱基和/或在3'-位置含有支链含芳基团的特定寡核苷酸来解决。
• Nickel-Catalyzed Decarboxylative Alkylation of Aryl Iodides with Anhydrides
  作者：Hui Chen、Lu Hu、Wenzhi Ji、Licheng Yao、Xuebin Liao

  DOI：10.1021/acscatal.8b03396

  日期：2018.11.2

  scope of aliphatic carboxylic anhydrides and tolerates synthetically useful aromatic substituents. Assisted by a redox system of pyridine N-oxide and zinc additives, the current reaction occurs under mild conditions and without the assistance of photocatalyst. Notably, this method features high chemoselectivity toward alkyl migration with mixed aliphatic/aromatic anhydrides. Thus, it provides a powerful

  我们提出了镍催化的芳基碘化物的基于酸酐的脱羧烷基化。这种脱羧偶联的方法可与多种脂族羧酸酐一起使用，并能耐受合成上有用的芳族取代基。在吡啶N-氧化物和锌添加剂的氧化还原系统的辅助下，当前反应在温和条件下进行，无需光催化剂的帮助。值得注意的是，该方法具有混合脂肪族/芳香族酸酐对烷基迁移的高化学选择性。因此，它提供了一种强大的合成工具，可以通过使用容易获得的芳基羧酸（例如对羟基苯甲酸）将高价脂肪族羧酸转化为混合酸酐来改性高价值脂肪族羧酸-甲苯甲酸。我们提出了一个催化循环，该循环涉及基于自由基的脱羧反应以及随后的烷基转移至镍的关键步骤，该过程先于Ni（III）的氧化诱导的C–C还原消除。
• [EN] PROCESS FOR THE PRODUCTION OF DIACYL PEROXIDES<br/>[FR] PROCÉDÉ DE PRODUCTION DE PEROXYDES DE DIACYLE
  申请人：NOURYON CHEMICALS INT BV

  公开号：WO2020249688A1

  公开（公告）日：2020-12-17

  Process for the production of a diacyl peroxide involving the reaction of an anhydride with hydrogen peroxide, removal of the formed carboxylic acid, production of an anhydride from said carboxylic acid, and recycling of the anhydride within the process.

  生产二酰过氧化物的过程涉及酐与过氧化氢的反应，去除形成的羧酸，从所述羧酸生产酐，并在过程中循环使用酐。

表征谱图