4-trimethylsilyl-2-butenoate trimethylsilyl ester | 109751-81-7

• 分子结构分类: 有机化合物 - 有机金属化合物 - 有机类金属化合物
• 英文名称: 4-trimethylsilyl-2-butenoate trimethylsilyl ester
• 英文别名: 4-trimethylsilyl trimethylsilyl crotonic ester；Trimethylsilyl 4-trimethylsilylcrotonate；trimethylsilyl (E)-4-trimethylsilylbut-2-enoate
• CAS: 109751-81-7
• 化学式: C₁₀H₂₂O₂Si₂
• 分子量: 230.454
• InChiKey: SUHKAEVNVTYNIE-BQYQJAHWSA-N

物化性质

• 沸点：
  100 °C (10 mmHg)
• 稳定性/保质期：
  遵照规定使用和储存，则不会分解。

计算性质

• 辛醇/水分配系数(LogP)：
  3.26
• 重原子数：
  14
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.7
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 海关编码：
  2931900090
• 安全说明：
  S24/25

SDS

Name:	Trimethylsilyl 4-trimethylsilylcrotonate Material Safety Data Sheet
Synonym:
CAS:	109751-81-7

Section 1 - Chemical Product MSDS Name:Trimethylsilyl 4-trimethylsilylcrotonate Material Safety Data Sheet
Synonym:

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
109751-81-7	Trimethylsilyl 4-trimethylsilylcrotona		unlisted

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 irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated.
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.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
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 extinguishing media most appropriate for the surrounding fire.

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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.
Storage:
Store in a tightly closed container. Keep refrigerated. (Store below 4C/39F.)

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Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 109751-81-7: 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: Liquid
Color: light yellow
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 100 deg C @ 10.00mm
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:
Specific Gravity/Density:
Molecular Formula: (CH3)3SiCH2CHCHCOOSi(CH3)3
Molecular Weight: 230.45

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 109751-81-7 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Trimethylsilyl 4-trimethylsilylcrotonate - 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: Not available.
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
WGK (Water Danger/Protection)
CAS# 109751-81-7: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 109751-81-7 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 109751-81-7 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：

  4-trimethylsilyl-2-butenoate trimethylsilyl ester 在 三氟化硼乙醚 、 lithium hexamethyldisilazane 作用下， 以 二氯甲烷 为溶剂， 反应 2.0h， 生成 (E)-2-(Hydroxy-phenyl-methyl)-4-trimethylsilanyl-but-3-enoic acid
  参考文献：
  名称：

  Bellassoued, Moncef; Ennigrou, Rached, Bulletin des Societes Chimiques Belges, 1991, vol. 100, # 10, p. 767 - 768

  摘要：

  DOI：
• 作为产物：
  描述：

  三甲基氯硅烷 、 巴豆酸 在 2,2,6,6-四甲基哌啶 、 正丁基锂 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 反应 4.0h， 以68%的产率得到4-trimethylsilyl-2-butenoate trimethylsilyl ester
  参考文献：
  名称：

  双（三甲硅烷基甲氧基）-1,1丁二烯-1,3和三甲硅烷基-4丁烯二酸酯

  摘要：

  描述了4-三甲基甲硅烷基-2-丁烯酸酯三甲基甲硅烷基酯和1，1-双（三甲基甲硅烷氧基）-1，3-丁二烯的制备。后者的甲硅烷基衍生物在ZnBr 2存在的条件下与苯甲醛在THF中反应，以高收率仅得到γ-取代的产物（E构型）。氟离子催化的反应主要得到α-烷基化的化合物。

  DOI：

  10.1016/0022-328x(88)80497-2

文献信息

• BELLASSOUED M.; GAUDEMAR M., C. R. ACAD. SCI., 303,(1986) N 3, 199-201
  作者：BELLASSOUED M.、 GAUDEMAR M.

  DOI：——

  日期：——
• BELLASSOUED, M.;ENNIGROU, R.;GAUDEMAR, M., J. ORGANOMET. CHEM., 338,(1988) N 2, 149-158
  作者：BELLASSOUED, M.、ENNIGROU, R.、GAUDEMAR, M.

  DOI：——

  日期：——