正硅酸四乙酯 | 562-90-3

• 物质功能分类: 化学试剂 - 硅烷试剂
• 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: 正硅酸四乙酯
• 中文别名: 乙酸硅(IV)；硅酸四乙酸酐；四乙酰氧基硅烷
• 英文名称: tetraacetoxysilane
• 英文别名: silicon tetraacetate；triacetyloxysilyl acetate
• CAS: 562-90-3
• 化学式: C₈H₁₂O₈Si
• 分子量: 264.264
• InChiKey: YZVRVDPMGYFCGL-UHFFFAOYSA-N

物化性质

• 熔点：
  111-115 °C(lit.)
• 沸点：
  148 °C5 mm Hg(lit.)
• 密度：
  1,18 g/cm3
• 蒸气密度：
  >1 (vs air)
• 闪点：
  >110°C
• 溶解度：
  易溶于丙酮和苯。
• 稳定性/保质期：
  稳定性和反应性： 要避免的物料：水分和潮湿。 要分解的产品：一氧化碳、二氧化碳以及乙酰酸。

计算性质

• 辛醇/水分配系数(LogP)：
  -0.33
• 重原子数：
  17
• 可旋转键数：
  8
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  105
• 氢给体数：
  0
• 氢受体数：
  8

ADMET

毒理性

• 副作用

Dermatotoxin - 皮肤烧伤。

Dermatotoxin - Skin burns.

来源:Haz-Map, Information on Hazardous Chemicals and Occupational Diseases

安全信息

• TSCA：
  Yes
• 危险等级：
  8
• 危险品标志：
  C
• 安全说明：
  S26,S36/37/39,S45
• 危险类别码：
  R34
• WGK Germany：
  3
• 海关编码：
  2915900090
• 危险品运输编号：
  UN 3261 8/PG 2
• 包装等级：
  II
• 危险类别：
  8
• 储存条件：
  贮存： 将密器密封，储存在密封的主容器中，并置于阴凉、干燥处。

SDS

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Section 1: Product Identification
Chemical Name: Silicon (IV) acetate, min. 95%
CAS Registry Number: 562-90-3
Formula: Si(OOCCH3)4
EINECS Number: 209-239-7
Chemical Family: metal acetate salt
Synonym: Silicon tetraacetate

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Section 2: Composition and Information on Ingredients
Ingredient CAS Number Percent ACGIH (TWA) OSHA (PEL)
Title Compound 562-90-3 100% no data no data

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Section 3: Hazards Identification
Corrosive to skin, eyes, and mucous membranes. May cause coughing, wheezing, shortness of breath,
Emergency Overview:
headache, nausea and vomiting. Ingestion may cause damage to the mouth, throat and esophagus.
Primary Routes of Exposure: Ingestion, inhalation, skin, eyes.
Eye Contact: Corrosive to eyes.
Skin Contact: Corrosive to skin.
Inhalation: Inhalation may cause inflammation of the respiratory tract, edema and chemical pneumonitis.
Ingestion: Ingestion may cause damage to the mouth, throat and esophagus.
Corrosive to skin, eyes and mucous membranes. Inhalation causes coughing, wheezing, shortness of breath,
Acute Health Affects:
headache, nausea, and vomiting. Ingestion may cause damage to the mouth throat and esophagus.
Chronic Health Affects: Prolonged inhalation of inorganic silicon compounds may cause pulmonary fibrosis know as silicosis.
NTP: No
IARC: No
OSHA: No

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SECTION 4: First Aid Measures
Immediately flush the eyes with copious amounts of water for at least 10-15 minutes. A victim may need
Eye Exposure:
assistance in keeping their eye lids open. Get immediate medical attention.
Wash the affected area with water. Remove contaminated clothes if necessary. Seek medical assistance if
Skin Exposure:
irritation persists.
Remove the victim to fresh air. Closely monitor the victim for signs of respiratory problems, such as difficulty
Inhalation:
in breathing, coughing, wheezing, or pain. In such cases seek immediate medical assistance.
Seek medical attention immediately. Keep the victim calm. Give the victim water (only if conscious). Induce
Ingestion:
vomiting only if directed by medical personnel.

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SECTION 5: Fire Fighting Measures
Flash Point: not applicable
Autoignition Temperature: no data
Explosion Limits: no data
Extinguishing Medium: carbon dioxide or dry powder
Fire fighters should be equipped with a NIOSH approved positive pressure self-contained breathing apparatus
Special Fire Fighting Procedures:
and full protective clothing.
Hazardous Combustion and If involved in a fire, this material may emit toxic and corrosive fumes.
Decomposion Products:
Unusual Fire or Explosion Hazards: No unusual fire or explosion hazards.

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SECTION 6: Accidental Release Measures
Spill and Leak Procedures: Sweep up the solid and dispose of properly.

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SECTION 7: Handling and Storage
Handling and Storage: Store the material in a sealed container. Store cold. Keep away from heat.

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SECTION 8: Exposure Controls and Personal Protection
Eye Protection: Always wear approved safety glasses when handling a chemical substance in the laboratory.
Skin Protection: Wear protective clothing and gloves. Consult with glove manufacturer to determine the proper type of glove.
Ventilation: To minimize exposure, handle the material in an efficient fume hood.
If ventilation is not available a respirator should be worn. The use of respirators requires a Respirator
Respirator:
Protection Program to be in compliance with 29 CFR 1910.134.
Ventilation: To minimize exposure, handle the material in an efficient fume hood.
Additional Protection: No additional protection required.

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SECTION 9: Physical and Chemical Properties
Color and Form: white xtl.
Molecular Weight: 264.27
Melting Point: 160° dec.
Boiling Point: 148°C /6mm(110°subl.)
Vapor Pressure: no data
Specific Gravity: no data
Odor: not determined
Solubility in Water: reacts with water

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SECTION 10: Stability and Reactivity
Stability: moisture sensitive (store cold)
Hazardous Polymerization: no hazardous polymerization
Conditions to Avoid: contact with moisture
Incompatibility: oxidizing agents, water, strong bases, and halogens
Decomposition Products: carbon monoxide, carbon dioxide, silicon dioxide and organic fumes.

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SECTION 11: Toxicological Information
RTECS Data: No information available in the RTECS files.
Carcinogenic Effects: No data available
Mutagenic Effects: No data available
Tetratogenic Effects: No data available

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SECTION 12: Ecological Information
Ecological Information: No information available

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SECTION 13: Disposal Considerations
Disposal: Dispose of according to federal, state, and local regulations.

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SECTION 14: Transportation
Shipping Name (CFR): Corrosive Solids, N.O.S.
Hazard Class (CFR): 8
Additional Hazard Class (CFR): NA
Packaging Group (CFR): III
UN ID Number (CFR): UN# 1759
Shipping Name (IATA): Corrosive Solid, N.O.S.
Hazard Class (IATA): 8
Additional Hazard Class (IATA): NA
Packaging Group (IATA): III
UN ID Number (IATA): UN# 1759

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SECTION 15: Regulatory Information
TSCA: Listed in the TSCA inventory.
SARA (Title 313): Title compound not listed.
Second Ingredient: none

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SECTION 16 - ADDITIONAL INFORMATION
N/A

制备方法与用途

正硅酸四乙酯具有多种特殊用途，包括硬化石材（防止建筑和工艺品的老化）、生产砂浆和水泥，以及用于交联有机硅聚合物。

反应信息

• 作为反应物：
  描述：

  正硅酸四乙酯 以 neat (no solvent) 为溶剂， 生成 silica gel
  参考文献：
  名称：

  通过选择性二氧化硅化学气相沉积将碳纳米管自对准机械连接到二氧化硅结构

  摘要：

  开发了一种自对准薄膜沉积技术，以机械方式将碳纳米管连接到表面，以制造结构坚固的基于纳米管的纳米机械装置。通过热化学气相沉积 (CVD) 在 150 纳米宽的 SiO2 沟槽中生长单壁碳纳米管。纳米管通过选择性四乙酸硅基 SiO2 CVD 机械连接到沟槽顶部。没有薄膜沉积在纳米管上，它们悬浮在沟槽上。

  DOI：

  10.1063/1.1636267
• 作为产物：
  描述：

  乙酸丙酯 在 四氯化硅 作用下， 生成 正硅酸四乙酯
  参考文献：
  名称：

  Wolnow, Zhurnal Obshchei Khimii, 1939, vol. 9, p. 2269,2281

  摘要：

  DOI：
• 作为试剂：
  描述：

  2-羟基-N-(O-羟基苄亚基)乙基胺 、 N-(2-thioethyl)-2-hydroxyacetophenoneimine 在 正硅酸四乙酯 作用下， 生成 (6E,6'E)-7'-methyl-4,5,4',5'-tetrahydro-spiro[benzo[h][1,3,6,2]dioxazasilonine-2,2'-benzo[h][1,3,6,2]oxathiazasilonine]
  参考文献：
  名称：

  Singh,R.V.; Tandon,J.P., Journal fur praktische Chemie (Leipzig 1954), 1979, vol. 321, p. 683 - 690

  摘要：

  DOI：

文献信息

• Phenysilane and Silicon Tetraacetate: Versatile Promotors for Amide Synthesis
  作者：Eléonore Morisset、Aurélien Chardon、Jacques Rouden、Jérôme Blanchet

  DOI：10.1002/ejoc.201901660

  日期：2020.1.23

  Phenylsilane as been reassed as useful coupling reagent for amides synthesis. Peptides and Weinreb amides are easily obtained under mild conditions in absence of epimzerization even with challenging substrates such as phenylglycine. Further investigation regarding the reactivity of stable acetoxysilanes supported phenylpolyacyloxysilane as key intermediate.

  苯甲硅烷被重新确定为用于酰胺合成的有用偶联剂。即使在温和的条件下，即使存在具有挑战性的底物（如苯基甘氨酸），也可以轻松地在温和条件下获得肽和Weinreb酰胺。关于稳定的乙酰氧基硅烷担载的关键中间体苯基聚酰氧基硅烷的反应性的进一步研究。
• Novel route to silanetriols and silanediols based on acetoxysilylalkoxides
  作者：Miriam de J. Velásquez-Hernández、Aarón Torres-Huerta、Uvaldo Hernández-Balderas、Diego Martínez-Otero、Alejandra Núñez-Pineda、Vojtech Jancik

  DOI：10.1016/j.poly.2016.10.051

  日期：2017.1

  organosilicates based on acetoxysilylalkoxides (ASA, (RO)(tBuO)nSi(OAc)3−n or (AcO)3−n(tBuO)nSi-O-R-O-Si(OtBu)n(OAc)3−n, R = organic group; n = 0 or 1) is presented. These ASA precursors are prepared from silicon tetraacetate and suitable alcohols and are cleanly hydrolyzed in water to the corresponding alkoxysilanols in the absence of a base or organic solvents. The compounds were characterized by common spectroscopic

  摘要基于乙酰氧基甲硅烷基醇盐（ASA，（RO）（tBuO）nSi（OAc）3-n或（AcO）3-n（tBuO）nSi-ORO-Si（给出了OtBu）n（OAc）3-n，R ＝有机基团； n ＝ 0或1）。这些ASA前体由四乙酸硅和合适的醇制得，并在不存在碱或有机溶剂的情况下，在水中干净地水解为相应的烷氧基硅烷醇。通过包括X射线结构分析在内的常规光谱方法对化合物进行了表征。在将CO2催化转化为碳酸苯乙烯酯的过程中测试了烷氧基硅烷醇，并在60°C和1 atm CO2的15小时内显示出定量转化。
• Method for Producing Acyloxysilanes, Acyloxysilanes Obtained Thereby, and Use of Same
  申请人：NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY

  公开号：US20180044359A1

  公开（公告）日：2018-02-15

  An object of the invention is to provide a method for efficiently producing an acyloxysilane which is useful as a functional chemical, an acyloxysilane obtained thereby, and the use thereof. The present invention provides: a method for producing an acyloxysilane, including a reaction step of reacting an alkoxysilane with a carboxylic anhydride in the presence of a catalyst, wherein the alkoxysilane is a specified alkoxysilane represented by General Formula (I), the carboxylic anhydride is a specified carboxylic acid represented by General Formula (IIA) or (IIB), the catalyst is an acid catalyst, and an acyloxysilane obtained in the reaction step is a specified acyloxysilane represented by General Formula (IIIA) or (IIIB); and the use of the acyloxysilane as a surface treatment agent or the like.

  本发明的一个目的是提供一种有效生产作为功能化学品有用的醋酰氧硅烷的方法，以及由此获得的醋酰氧硅烷及其用途。本发明提供了一种生产醋酰氧硅烷的方法，包括在催化剂存在下将烷氧基硅烷与羧酸酐反应的反应步骤，其中烷氧基硅烷是由通式（I）表示的指定烷氧基硅烷，羧酸酐是由通式（IIA）或（IIB）表示的指定羧酸，催化剂是酸性催化剂，反应步骤中获得的醋酰氧硅烷是由通式（IIIA）或（IIIB）表示的指定醋酰氧硅烷；以及将醋酰氧硅烷用作表面处理剂等的用途。
• Catalytic Enantioselective Mannich-type Reactions of Ketoimines
  作者：Yutaka Suto、Motomu Kanai、Masakatsu Shibasaki

  DOI：10.1021/ja068226a

  日期：2007.1.1

  (10 mol %) and (EtO)2Si(OAc)2 as the trapping reagent (1 equiv) of the intermediate copper amide (generated via the addition of a copper enolate to the imine). The trapping reagent significantly facilitated the catalyst turnover. Excellent enantioselectivity was produced from a range of aromatic ketoimines, including heteroaromatic and ethyl-substituted ketoimines. The optimized conditions for aliphatic

  描述了简单酮亚胺的催化对映选择性曼尼希型反应的第一个例子。芳香酮亚胺的优化条件包括使用 CuOAc-DTBM-SEGPHOS 作为催化剂 (10 mol%) 和 (EtO)2Si(OAc)2 作为中间体铜酰胺（通过添加生成）的捕集剂（1 当量）将铜烯醇化物转化为亚胺）。捕集剂显着促进了催化剂的周转。从一系列芳香族酮亚胺（包括杂芳香族和乙基取代的酮亚胺）产生了出色的对映选择性。脂肪族酮亚胺的优化条件包括使用 CuOAc-4-tBu-环己基-DuPHOS 作为催化剂和 (EtO)3SiF 作为捕集剂。当使用脂肪族底物时，对映选择性在 77-81% ee 范围内。乘积转化为β，
• 環状シロキサン化合物の製造方法、環状シロキサン化合物、組成物、および耐熱性材料
  申请人：国立研究開発法人産業技術総合研究所

  公开号：JP2019189589A

  公开（公告）日：2019-10-31

  【課題】 環状シロキサン化合物の効率的な製造方法、その製造方法により得られた新規な環状シロキサン化合物、その化合物を含む組成物、並びにその組成物を含む耐熱性材料を提供すること。【解決手段】 ３個または４個の−ＯＣＯＲ基を有するアシロキシシラン（複数のＲは、それぞれ独立して、１価の炭化水素基である。）に、２個の−ＯＨ基を有するシラノールを連続的に反応させる工程を含む、−Ｓｉ−Ｏ−結合で環骨格が形成された環状シロキサンを有する環状シロキサン化合物の製造方法。【選択図】なし

  这是一个专利申请的摘要，描述了一种环状硅氧烷化合物的高效制备方法，以及由此制备方法获得的新环状硅氧烷化合物、含有该化合物的组成物和含有该组成物的耐热材料的提供。具体的制备方法包括将具有3个或4个-O-COR基团的酰氧基硅烷（其中多个R分别独立地是价为1的碳氢基团）与具有2个-OH基团的硅醇连续反应，形成具有-Si-O-键的环骨架的环状硅氧烷化合物。

表征谱图