三(叔丁氧基)硅烷醇

三(叔丁氧基)硅烷醇 基本信息
CAS号 18166-43-3 分子式 C12H28O4Si
分子量 264.43400 精确质量  264.17600
PSA  47.92000 LogP  2.85960

基本信息 展开↓

CAS号:
18166-43-3
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分子式:
C12H28O4Si
分子量:
264.43400
中文名称:
三(叔丁氧基)硅烷醇
英文名称:
hydroxy-tris[(2-methylpropan-2-yl)oxy]silane
中文别名:
三(叔丁氧基)硅烷醇;
三叔丁氧基硅醇;
三(叔-丁氧基)硅烷醇
英文别名:
hydroxy-tris[(2-methylpropan-2-yl)oxy]silane;
tri-tert-butylsilanol;
Tri-t-butoxysilanol;
Tri-tert-butyl hydrogen orthosilicate;
(tert-(C4H9O)3)SiOH;
tris-tert-butoxysilanol;
Si(OH)(OtBu)3;
tri-tert-butoxysilanol
精确分子量/精确质量:
264.17600
极性分子表面积/PSA:
47.92000
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:
MFCD00271024
PubChem:
24879332
InChI:
InChI=1/C12H28O4Si/c1-10(2,3)14-17(13,15-11(4,5)6)16-12(7,8)9/h13H,1-9H3

物化性质展开↓

密度:
0.947g/cm3
熔点:
63-65ºC(lit.)
沸点:
205-210ºC(lit.)
闪点:
113.1ºC
折射率:
1.436
蒸汽压:
0.00145mmHg at 25°C
存储条件/存储方法:

密闭,阴凉,干燥处,惰性气体中

稳定性相关:

按规定使用不会分解,避氧化剂、潮湿

其它信息:

1.       性状:白色固体

2.       密度(g/mL,25):092

3.       相对蒸汽密度(g/mL,空气=1):未确定

4.       熔点(ºC):63-65

5.       沸点(ºC,常压):205-210

6.       沸点(ºC, 16hPa):未确定

7.       折射率:未确定

8.       闪点(ºC:>65

9.       比旋光度(º):未确定

10.    自燃点或引燃温度(ºC):未确定

11.    蒸气压(20ºC):未确定

12.    饱和蒸气压(kPa,60ºC):未确定

13.    燃烧热(KJ/mol):未确定

14.    临界温度(ºC):未确定

15.    临界压力(KPa):未确定

16.    油水(辛醇/水)分配系数的对数值:未确定

17.    爆炸上限(%,V/V):未确定

18.    爆炸下限(%,V/V):未确定

19.    溶解性:未确定

安全信息展开↓

海关代码:
2915900090
危险类别码:
36/37/38
安全说明:
22-24/25
安全标志:
S22:不要吸入粉尘。
S24/25:防止皮肤和眼睛接触。

合成路线查看所有的合成路线

  • 502635-70-3

    502635-70-3

  • +

  • 7732-18-5

  • 18166-43-3

    三(叔丁氧基)硅烷醇

  • +

  • 75-65-0

    叔丁醇

  • 502635-71-4

    502635-71-4

  • +

  • 7732-18-5

  • 18166-43-3

    三(叔丁氧基)硅烷醇

  • 18105-64-1

    三叔丁氧基氯硅烷

  • +

  • 865-48-5

    叔丁醇钠

  • 18166-43-3

    三(叔丁氧基)硅烷醇

  • +

  • 18765-23-6

    18765-23-6

MSDS 展开↓


Section 1: Product Identification
   Chemical Name:       Tri-t-butoxysilanol (99.999%-Si) PURATREM    
   CAS Registry Number:       18166-43-3    
   Formula:       [(CH3)3CO]3SiOH    
   EINECS Number:       none    
   Chemical Family:       organosilicon compound    
   Synonym:       Tris(tert-butoxy)silanol    

Section 2: Composition and Information on Ingredients
   Ingredient       CAS Number       Percent       ACGIH (TWA)       OSHA (PEL)    
   Title compound       18166-43-3       100%       no data       no data    

Section 3: Hazards Identification
   Emergency Overview:       Irritating to skin, eyes and respiratory tract.    
   Primary Routes of Exposure:       Ingestion, inhalation, eyes    
   Eye Contact:       Causes slight to mild irritation of the eyes.    
   Skin Contact:       Causes slight to mild irritation of the skin.    
   Inhalation:       Irritating to the nose, mucous membranes and respiratory tract.    
   Ingestion:       No information available on the physiological effects of ingestion. May be harmful if swallowed.    
   Acute Health Affects:       Irritating to skin, eyes and respiratory tract.    
   No information on long-term chronic effects. Contact with moisture, as resulting from human contact, will
   Chronic Health Affects:
   produce n-butanol which shows reproductive effects in animal studies.
   NTP:       No    
   IARC:       No    
   OSHA:       No    

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.

SECTION 5: Fire Fighting Measures
   Flash Point:       no data    
   Autoignition Temperature:       none    
   Explosion Limits:       none    
   Extinguishing Medium:       carbon dioxide, dry powder or foam    
   If this product is involved in a fire, fire fighters should be equipped with a NIOSH approved positive pressure
   Special Fire Fighting Procedures:
   self-contained breathing apparatus and full protective clothing.
   Hazardous Combustion and       If involved in a fire this material may emit irritating fumes.    
   Decomposion Products:
   Unusual Fire or Explosion Hazards: No unusual fire or explosion hazards.

SECTION 6: Accidental Release Measures
   Small spills can be mixed with vermiculite, sodium carbonate or other suitable non-combustible adsorbent and
   Spill and Leak Procedures:
   swept up.

SECTION 7: Handling and Storage
   Store in a tightly sealed container under an inert atmosphere of nitrogen or argon. Keep in a cool, dry,
   Handling and Storage:
   well-ventillated area.

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.    
   Ventilation:       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:       Handle the material in an efficient fume hood.    
   Additional Protection:       No additional protection required.    

SECTION 9: Physical and Chemical Properties
   Color and Form:       white solid    
   Molecular Weight:       264.43    
   Melting Point:       63-65°C    
   Boiling Point:       205-210C    
   Vapor Pressure:       0.4mm @ 55?    
   Specific Gravity:       0.89g/cc3    
   Odor:       none    
   Solubility in Water:       insoluble    

SECTION 10: Stability and Reactivity
   Stability:       moisture sensitive    
   Hazardous Polymerization:       no hazardous polymerization    
   Conditions to Avoid:       prolonged exposure to moisture    
   Incompatibility:       strong oxidizing agents, strong acids and halogens    
   Decomposition Products:       carbon dioxide, carbon monoxide, organic fumes, butanol and silicon dioxide.    

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

SECTION 12: Ecological Information
   Ecological Information:       No information available    

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

SECTION 14: Transportation
   Shipping Name (CFR):       Non-hazardous    
   Hazard Class (CFR):       NA    
   Additional Hazard Class (CFR):       NA    
   Packaging Group (CFR):       NA    
   UN ID Number (CFR):       NA    
   Shipping Name (IATA):       Non-hazardous    
   Hazard Class (IATA):       NA    
   Additional Hazard Class (IATA):       NA    
   Packaging Group (IATA):       NA    
   UN ID Number (IATA):       NA    

SECTION 15: Regulatory Information
   TSCA:       Not listed in the TSCA inventory    
   SARA (Title 313):       Not reportable under SARA 313    
   Second Ingredient:       none    


SECTION 16 - ADDITIONAL INFORMATION
N/A

海关数据查看详细

中国海关编码:2915900090

概述:
2915900090. 其他饱和无环一元羧酸及其酸酐(酰卤、过氧)化物、过氧酸及其卤化、硝化、磺化、亚硝化衍生物. 增值税率:17.0%. 退税率:9.0%. 监管条件:AB(入境货物通关单,出境货物通关单). 最惠国关税:5.5%. 普通关税:30.0%
申报要素:
品名, 成分含量, 用途
监管条件:
A.入境货物通关单B.出境货物通关单
检验检疫:
R.进口食品卫生监督检验S.出口食品卫生监督检验M.进口商品检验N.出口商品检验
摘要/Summary:
2915900090 other saturated acyclic monocarboxylic acids and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:5.5% General tariff:30.0%

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:73.02

2、   摩尔体积(cm3/mol):279.0

3、   等张比容(90.2K):629.7

4、   表面张力(dyne/cm):25.9

5、   极化率:28.95

6、   介电常数:未确定

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:1

3.氢键受体数量:4

4.可旋转化学键数量:6

5.互变异构体数量:无

6.拓扑分子极性表面积47.9

7.重原子数量:17

8.表面电荷:0

9.复杂度:204

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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