3,3-二苯基己基甲基三硅氧烷 | 797-77-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 3,3-二苯基己基甲基三硅氧烷
• 中文别名: 3,3-二苯基六甲基三硅氧烷
• 英文名称: 1,1,1,5,5,5-hexamethyl-3,3-diphenyltrisiloxane
• 英文别名: 3,3-Diphenylhexamethyltrisiloxane；diphenyl-bis(trimethylsilyloxy)silane
• CAS: 797-77-3
• 化学式: C₁₈H₂₈O₂Si₃
• 分子量: 360.676
• InChiKey: QBNMGMSLXRJOOX-UHFFFAOYSA-N

物化性质

• 沸点：
  172 °C (18 mmHg)
• 密度：
  0.98
• 稳定性/保质期：
  在常温常压下保持稳定，应避免与热源接触。

计算性质

• 辛醇/水分配系数(LogP)：
  6.97
• 重原子数：
  23
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.333
• 拓扑面积：
  18.5
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 危险品标志：
  Xi
• 危险类别码：
  R36/37/38
• 安全说明：
  S26,S37/39
• 储存条件：
  密封储存，应存放在阴凉干燥的库房中。

SDS

Name:	3 3-Diphenylhexamethyltrisiloxane 97% Material Safety Data Sheet
Synonym:
CAS:	797-77-3

Section 1 - Chemical Product MSDS Name:3 3-Diphenylhexamethyltrisiloxane 97% Material Safety Data Sheet
Synonym:

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
797-77-3	3,3-Diphenylhexamethyltrisiloxane	97%	unlisted

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.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
Causes respiratory tract irritation. May be harmful if inhaled.
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.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
If victim is conscious and alert, give 2-4 cupfuls of milk or water.
Get medical aid. Wash mouth out with 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.
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.
Extinguishing Media:
Use carbon dioxide or dry chemical.

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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.

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Section 7 - HANDLING and STORAGE
Handling:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes. Use only in a chemical fume hood.
Storage:
Store in a cool, dry place. Store in a tightly closed container.

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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# 797-77-3: Personal Protective Equipment Eyes: Not available.
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: Clear liquid
Color: colorless
Odor: slight odor
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 172 deg C @ 18 mmHg
Freezing/Melting Point: Not available.
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water: Negligible.
Specific Gravity/Density: 0.98
Molecular Formula: CH3Si(C6H5)2OSi(CH3)2OSi(CH3)3
Molecular Weight: 360.4513

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable.
Conditions to Avoid:
Excess heat.
Incompatibilities with Other Materials:
Not available.
Hazardous Decomposition Products:
Carbon monoxide, carbon dioxide, silicon dioxide.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 797-77-3 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
3,3-Diphenylhexamethyltrisiloxane - 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
No information available.
IMO
No information available.
RID/ADR
No information available.

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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 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 37/39 Wear suitable gloves and eye/face
protection.
WGK (Water Danger/Protection)
CAS# 797-77-3: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 797-77-3 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 797-77-3 is not listed on the TSCA inventory.
It is for research and development use only.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  3,3-二苯基己基甲基三硅氧烷 在 水 、 sodium hydroxide 作用下， 以 乙腈 为溶剂， 以93.7 mg的产率得到二苯基二羟基硅烷
  参考文献：
  名称：

  由具有二氧硅烷单元的四烷氧基硅烷合成不对称二烷氧基二芳基硅烷和二芳基硅烷二醇

  摘要：

  带有稳定的七元二氧杂环戊烷部分和两个三氟乙氧基的四烷氧基硅烷通过用不同的芳基格氏试剂连续处理，对两个三氟乙氧基进行可靠的迭代取代，同时保持七元结构完整。该过程导致合成不对称二烷氧基二芳基硅烷，并在适当水解后最终合成二芳基硅烷二醇。

  DOI：

  10.1039/d4cc02051k
• 作为产物：
  描述：

  1,5-二羟基六苯基三硅氧烷 在 KOH 作用下， 以 乙醇 为溶剂， 生成 3,3-二苯基己基甲基三硅氧烷
  参考文献：
  名称：

  Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: Si: MVol.C, 106, page 292 - 295

  摘要：

  DOI：

文献信息

• Pd/C-catalyzed cross-coupling reaction of benzyloxysilanes with halosilanes for selective synthesis of unsymmetrical siloxanes
  作者：Masayasu Igarashi、Keiko Kubo、Tomohiro Matsumoto、Kazuhiko Sato、Wataru Ando、Shigeru Shimada

  DOI：10.1039/c4ra02126f

  日期：——

  A new protocol for the nonhydrolytic synthesis of unsymmetrical siloxanes has been developed. The cross-coupling reaction of benzyloxysilanes with halosilanes catalyzed by Pd/C afforded various unsymmetrical siloxanes with co-production of benzyl halides.

  开发了一种非水解合成不对称硅氧烷的新方法。通过Pd/C催化的苄氧基硅烷与卤硅烷的交叉耦合反应，合成了多种不对称硅氧烷，同时副产苄基卤化物。
• Silylation of Alcohols, Phenols, and Silanols with Alkynylsilanes - an Efficient Route to Silyl Ethers and Unsymmetrical Siloxanes
  作者：Krzysztof Kuciński、Hanna Stachowiak、Grzegorz Hreczycho

  DOI：10.1002/ejoc.202000573

  日期：2020.7.15

  Alkynylsilanes – a missing piece of different silylation agents, can serve as valuable substrates in the O‐silylation through a dealkynative coupling with alcohols or silanols. The described approach displays a whole array of advantages in terms of green chemistry and is a promising alternative to existing methodologies.

  炔基硅烷–缺少的一种不同的甲硅烷基化剂，可以通过与醇或硅烷醇的脱炔基偶联而成为O-硅烷化中的重要底物。所描述的方法在绿色化学方面显示了一系列优势，并且是现有方法的有希望的替代方法。
• Monosodiumoxyorganoalkoxysilanes: Synthesis and properties
  作者：E. A. Rebrov、A. M. Muzafarov

  DOI：10.1002/hc.20280

  日期：——

  leads to the formation of both monosodiumoxyorganoalkoxysilanes (MSOAS) and several secondary products. Analysis of experimental evidence makes it possible to advance the mechanism behind this phenomenon and to define the optimum conditions for the preparation of pure MSOAS with high yields. Different MSOAS were synthesized and their basic physicochemical properties were studied. MSOAS are shown to

  详细研究了有机烷氧基硅烷与氢氧化钠的反应。研究表明，该反应涉及多个阶段，并且涉及相当复杂的多步骤过程，这会导致形成单钠氧基有机烷氧基硅烷 (MSOAS) 和几种副产物。对实验证据的分析可以推进这种现象背后的机制，并确定以高产率制备纯 MSOAS 的最佳条件。合成了不同的MSOAS并研究了它们的基本理化性质。MSOAS 被证明构成具有化学独立官能团的多功能试剂，它们与三甲基氯硅烷的反应通过 ONa 基团选择性地进行，而它们与三乙基硅烷醇和高级醇的相互作用仅通过 OAlk 基团进行。发现并详细研究了 MSOAS 和有机烷氧基硅烷之间通过 ONa 和 OAlk 基团的交换相互作用。与 MSOAS 热降解开始相对应的温度估计等于 180-190°C。© 2006 Wiley Periodicals, Inc. 杂原子化学 17:514–541, 2006; 在线发表于 Wiley InterScience
• 一种丙烯酸烯丙酯的合成方法
  申请人：烟台德邦先进硅材料有限公司

  公开号：CN106542994B

  公开（公告）日：2018-11-09

  本发明公开一种新的丙烯酸烯丙酯的合成方法，该方法使用带有官能基的有机硅基单体,在温和的反应条件下制备丙烯酸烯丙酯。其合成方法分为三步：(1)丙烯酰氧基三甲基硅烷的合成，(2)烯丙氧基硅烷的合成；（3）丙烯酰氧基三甲基硅烷与烯丙氧基硅烷混合。该反应的使用的原料经处理后氯元素全部转化为无机盐,不使用三氯化磷等低沸点氯化物,保证了制备物中不含有氯元素；反应条件温和,对设备要求不高；提纯容易,各组分沸点相差较大,易于减压蒸馏分离；无需水洗,易于放大；使用三氟甲磺酸铵作为催化剂,既有较强的酸性,又不会破坏双键。
• Substituted lithiumtrimethylsiloxysilanides LiSiRR′(OSiMe3) – Investigations of their synthesis, stability and reactivity
  作者：Joerg Harloff、Eckhard Popowski、Helmut Reinke

  DOI：10.1016/j.jorganchem.2006.11.033

  日期：2007.3

  undergo partially self-condensation to afford the corresponding trimethylsiloxydisilanyllithiums Me3SiO(RR′Si)2Li (3a–g). (Me3)Si–O bond cleavage was observed for 2e and 2g–i. The relatively stable trimethylsiloxysilyllithiums 2f, 2g and 2i react with n-butyllithium under nucleophilic butylation to give the n-butyl-substituted silyllithiums nBuRR′SiLi (15g, 15f, 15i), which were trapped with Me3SiCl

  三甲基甲硅烷氧基氯硅烷（Me 3 SiO）RR'SiCl（1a – h：R'= Ph，1a：R = H，1b：R = Me，1c：R = Et，1d：R =  i Pr，1e： R =  t Bu，1f：R = Ph，1g：R = 2,4,6-Me 3 C 6 H 2（Mes），1h：R = 2,4,6-（Me 2 CH）3 C 6 H 2（小费）; 1i：R = R'= Mes），在-78°C的四氢呋喃（THF）中和在-110°C的THF /二乙醚/正戊烷的体积比为4：1：1的混合物中生成锂金属，生成：多种化合物的混合物。取决于取代基甲硅烷基锂衍生物（Me 3 SiO）RR'SiLi（2b - i），Me 3 SiO（RR'Si）2 Li（3a - g），Me 3 SiRR'SiLi（4a - h），（LiO） RR'SiLi（12e，12g – i），三硅氧烷（Me 3 SiO）2 SiRR'（5a