3,3-二甲基丙烯酸三甲基硅酯

3,3-二甲基丙烯酸三甲基硅酯 基本信息
CAS号 25436-25-3 分子式 C8H16O2Si
分子量 172.29700 精确质量  172.09200
PSA  26.30000 LogP  2.33070

基本信息 展开↓

CAS号:
25436-25-3
3D弹球模型:
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分子式:
C8H16O2Si
分子量:
172.29700
中文名称:
3,3-二甲基丙烯酸三甲基硅酯
英文名称:
trimethylsilyl 3-methylbut-2-enoate
中文别名:
3,3-二甲基丙烯酸三甲基硅酯;
3,3-二甲基丙烯酸三甲基硅酯
英文别名:
trimethylsilyl 3-methylbut-2-enoate;
crotonate de trimethylsilyle;
Trimethylsilyl 3-methyl-2-butenoate;
2-Butenoic acid,3-methyl-,trimethylsilyl ester;
3-Butenoic acid,3-methyl-,trimethylsilyl ester;
trimethylsilyl 3,3-dimethylacrylate;
Crotonic acid,3-methyl-,trimethylsilyl ester
精确分子量/精确质量:
172.09200
极性分子表面积/PSA:
26.30000
油水分配系数/LogP:

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值,反映了物质在油水两相中的分配情况。其中、LogP值越大,说明该物质越亲油;反之,LogP值越小,则说明该物质越亲水。
贝尔斯坦号/MDL:
MFCD01632556
InChI:
The Key: KNFZPFSOTLGZEE-UHFFFAOYSA-N

物化性质展开↓

沸点:
63ºC (13 mmHg)
存储条件/存储方法:

 

密闭于0-6ºC阴凉干燥环境中

稳定性相关:

 

遵照规定使用和储存则不会分解。

其它信息:

1.      性状:无可用

2.      密度(g/mL,25/4):无可用

3.      相对蒸汽密度(g/mL,空气=1):无可用

4.      熔点(ºC):无可用

5.      沸点(ºC,常压):63

6.      沸点(ºC,5.2kPa):无可用

7.      折射率:无可用

8.      闪点(ºC):无可用

9.      比旋光度(º):无可用

10.   自燃点或引燃温度(ºC):无可用

11.   蒸气压(kPa,25ºC):无可用

12.   饱和蒸气压(kPa,60ºC):无可用

13.   燃烧热(KJ/mol):无可用

14.   临界温度(ºC):无可用

15.   临界压力(KPa):无可用

16.   油水(辛醇/水)分配系数的对数值:无可用

17.   爆炸上限(%,V/V):无可用

18.   爆炸下限(%,V/V):无可用

19.   溶解性:无可用

合成路线查看所有的合成路线

  • 75-77-4

    三甲基氯硅烷

  • +

  • 541-47-9

    3,3-二甲基丙烯酸

  • ~88%

  • 25436-25-3

    3,3-二甲基丙烯酸三甲基硅酯

  • 541-47-9

    3,3-二甲基丙烯酸

  • +

  • 999-97-3

    六甲基二硅氮烷

  • ~87%

  • 25436-25-3

    3,3-二甲基丙烯酸三甲基硅酯

  • 4071-85-6

    三甲基硅烷基乙烯酮

  • +

  • 67-64-1

    丙酮

  • 25436-25-3

    3,3-二甲基丙烯酸三甲基硅酯

毒理性展开↓

生态数据:

 

该物质对环境可能有危害,对水体应给予特别注意。

MSDS 展开↓

Name: TRIMETHYLSILYL 3 3-DIMETHYLACRYLATE Material Safety Data Sheet
Synonym:
CAS: 25436-25-3
Section 1 - Chemical Product   MSDS Name:TRIMETHYLSILYL 3 3-DIMETHYLACRYLATE Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
25436-25-3 TRIMETHYLSILYL 3,3-DIMETHYLACRYLATE unlisted
Hazard Symbols: None Listed.
Risk Phrases: None Listed.

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.

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:

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.

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.

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.)

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
  Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 25436-25-3: 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.

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: 63 deg C @ 13.00mm
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:
Molecular Weight: 172.30

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

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 25436-25-3 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
TRIMETHYLSILYL 3,3-DIMETHYLACRYLATE - Not listed by ACGIH, IARC, or NTP.

Section 12 - ECOLOGICAL INFORMATION
 

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

Section 14 - TRANSPORT INFORMATION
 
IATA
No information available.
IMO
No information available.
RID/ADR
No information available.

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# 25436-25-3: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 25436-25-3 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 25436-25-3 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

分子结构与计算化学数据展开↓

分子结构数据


1  摩尔折射率:49.50

2  摩尔体积m3/mol193.2

3  等张比容(90.2K):417.7

4  表面张力dyne/cm21.8

5  极化率10-24cm319.62

计算化学数据


1.疏水参数计算参考值(XlogP):无

2.氢键供体数量:0

3.氢键受体数量:2

4.可旋转化学键数量:3

5.互变异构体数量:无

6.拓扑分子极性表面积26.3

7.重原子数量:11

8.表面电荷:0

9.复杂度:173

10.同位素原子数量:0

11.确定原子立构中心数量:0

12.不确定原子立构中心数量:0

13.确定化学键立构中心数量:0

14.不确定化学键立构中心数量:0

15.共价键单元数量:1

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