十二甲基五硅氧烷

十二甲基五硅氧烷 基本信息
CAS号 141-63-9 分子式 C12H36O4Si5
分子量 384.83900 精确质量 　384.14600
PSA 　36.92000 LogP 　4.82800
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目录
基本信息 物化性质 安全信息 合成路线 毒性 MSDS 海关数据 结构与计算数据 上下游

基本信息 展开↓

CAS号：
141-63-9
3D弹球模型：
立即前往扯扯看
分子式：
C12H36O4Si5
分子量：
384.83900
中文名称：
十二甲基五硅氧烷
英文名称：
dodecamethylpentasiloxane
中文别名：
十二甲基五硅氧烷;
Tetrasiloxane, decamethyl-;
Decamethyltetrasiloxane;
SodiumEthylate;
ethanol, sodium salt;
Sodium ethoxide;
Monoethanolamine;
H-Glycinol;
Ethanolamine;
1-butylacrylate;
Butyl Acrylate;
NSC 2392;
Stearic acid, 12-hydroxy-, methyl ester;
Methyl-12-hydroxyoctadecanoate;
Octadecanoic acid, 12-hydroxy-, (R-(Z))- (9CI);
methyl (12R)-12-hydroxyoctadecanoate;
1,1-bis(hydroxymethyl)urea;
1,3-bis(hydroxymethyl)urea;
Bromohexadecyl pyridine;
N,N,N',N'-Tetrakis(2-hydroxyethyl)ethylenediamine;
Perma kleer 140;
Plexene D;
Sodium diethylenetriaminepentaacetate;
Syntron C;
Tetralon B;
UNII-961TOZ5L7T;
Versenex 80;
Glycine, N,N-bis(2-(bis(carboxymethyl)amino)ethyl)-, sodium salt (1:5);
Pentasodium (carboxylatomethyl)iminobis(ethylenenitrilo)tetraacetate;
pentasodium 2,2',2'',2''',2''''-(ethane-1,2-diylnitrilo)pentaacetate;
Trilon C;
Propazin (VAN);
Propazine (herbicide);
Prozinex;
1,3,5-Triazine-2,4-diamine, 6-chloro-N,N'-bis(1-methylethyl)-;
1,3,5-Triazine-2,4-diamine, 6-chloro-N2,N4-bis(1-methylethyl)-;
s-Triazine, 2-chloro-4,6-bis(isopropylamino)-
英文别名：
dodecamethylpentasiloxane;
bis[[dimethyl(trimethylsilyloxy)silyl]oxy]-dimethylsilane;
Dodecamethylpentasiloxane
精确分子量/精确质量：
384.14600
极性分子表面积/PSA：
36.92000
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：
MFCD00039795
EINECS：
205-492-2
PubChem：
24868328
InChI：
InChI=1/C12H36O4Si5/c1-17(2,3)13-19(7,8)15-21(11,12)16-20(9,10)14-18(4,5)6/h1-12H3

物化性质展开↓

外观与性状：
透明无色液体
密度：
0.875 g/mL at 25 °C(lit.)
熔点：
−81 °C(lit.)
沸点：
230 °C(lit.)
闪点：
187 °F
折射率：
n20/D 1.392(lit.)
蒸汽压：
0.00512mmHg at 25°C
存储条件/存储方法：

密封储存，储存于阴凉、干燥的库房。氮气保护。

稳定性相关：

常温常压下稳定，避免与不相容材料，热源，湿空气，水接触。

与强氧化剂反应。

其它信息：

1.       性状：无色稍有气味透明液体

2.       密度（g/mL,25℃）：0.875

3.       相对蒸汽密度（g/mL,空气=1）：未确定

4.       熔点（ºC）：-81

5.       沸点（ºC,常压）：230

6.       沸点（ºC,3mmHg）：91

7.       折射率(n20/D)：1.395（lit.）

8.       闪点（ºF）：187

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（mmHg,20ºC）：＜120

12.    饱和蒸气压（kPa,83-85ºC）：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：微溶于水

安全信息展开↓

海关代码：
2934999090
WGK_Germany：
3
德国有关水污染物质的分类清单
危险类别码：
R36/37/38
安全说明：
S26-S36
RTECS号：
SB0970000
安全标志：
S26:万一接触眼睛，立即使用大量清水冲洗并送医诊治。
S36:穿戴合适的防护服装。
危险标志：
Xi: Irritant;

合成路线查看所有的合成路线

  • 75-77-4

    三甲基氯硅烷

  • +

  • 18420-09-2

    1,3-二乙氧基-1,1,3,3-四甲基二硅氧烷

  • →

    ~98%

  • 141-63-9

    十二甲基五硅氧烷

  • 75-77-4

    三甲基氯硅烷

  • +

  • 121954-25-4

    sodiumoxydimethylethoxysilane

  • →

    ~51%

  • 141-62-8

    十甲基四硅氧烷

  • +

  • 141-63-9

    十二甲基五硅氧烷

  • 75-77-4

    三甲基氯硅烷

  • +

  • 121954-25-4

    sodiumoxydimethylethoxysilane

  • →

    ~20%

  • 141-62-8

    十甲基四硅氧烷

  • +

  • 141-63-9

    十二甲基五硅氧烷

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
SB0970000
CHEMICAL NAME :
Pentasiloxane, dodecamethyl-
CAS REGISTRY NUMBER :
141-63-9
BEILSTEIN REFERENCE NO. :
1792965
LAST UPDATED :
199710
DATA ITEMS CITED :
4
MOLECULAR FORMULA :
C12-H36-O4-Si5
MOLECULAR WEIGHT :
384.93
WISWESSER LINE NOTATION :
1-SI-1&1&O-SI-1&1&O-SI-1&1&O-SI-1&1&O-SI-1&1&1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - guinea pig
DOSE/DURATION :
50 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JIHTAB Journal of Industrial Hygiene and Toxicology. (Cambridge, MA) V.18-31, 1936-49. For publisher information, see AEHLAU. Volume(issue)/page/year: 30,332,1948
毒理学数据：

1、急性毒性：豚鼠经口LDLo：50mg/kg；

MSDS 展开↓

Name: Dodecamethylpentasiloxane 97% Material Safety Data Sheet
Synonym: Silicone liquid
CAS: 141-63-9
Section 1 - Chemical Product   MSDS Name:Dodecamethylpentasiloxane 97% Material Safety Data Sheet
Synonym:Silicone liquid
Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
141-63-9 Dodecamethylpentasiloxane 97 205-492-2
Hazard Symbols: XI
Risk Phrases: 36/37/38
Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation.
Ingestion:
Low hazard for usual industrial handling.
Inhalation:
Causes respiratory tract irritation. May be harmful if inhaled.
Chronic:
No information found.
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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Use water spray to keep fire-exposed containers cool. Combustible liquid and vapor.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or chemical foam.
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. Forms smooth, slippery surfaces on floors, posing an accident risk. Remove all sources of ignition.
Provide ventilation.
Section 7 - HANDLING and STORAGE
  Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Avoid contact with eyes, skin, and clothing. Keep away from heat and flame. Avoid breathing vapor or mist. When heated to temperatures above 150C in the presence of air, product can form formaldehyde vapors.
Storage:
Store in a cool, dry place. Store in a tightly closed container.
Storage under a nitrogen blanket has been recommended.
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# 141-63-9: Personal Protective Equipment Eyes: Wear chemical splash goggles.
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: odorless
pH: Not available.
Vapor Pressure: < 1 mm Hg @ 25 deg C
Viscosity: Not available.
Boiling Point: 91 deg C @ 3 mmHg
Freezing/Melting Point: -81 deg C
Autoignition Temperature: Not available.
Flash Point: 86 deg C ( 186.80 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water: Negligible.
Specific Gravity/Density: 0.88
Molecular Formula: C12H36O4Si5
Molecular Weight: 384.84
Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable.
Conditions to Avoid:
Excess heat, exposure to flame.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, carbon dioxide, silicon dioxide, formaldehyde.
Hazardous Polymerization: Will not occur.
Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 141-63-9: SB0970000 LD50/LC50:
Not available.
Oral LDLo, guinea pig: 50 g/kg.
Carcinogenicity:
Dodecamethylpentasiloxane - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.
Section 12 - ECOLOGICAL INFORMATION
  Other No information available.
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: 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# 141-63-9: No information available.
Canada
CAS# 141-63-9 is listed on Canada's DSL List.
CAS# 141-63-9 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 141-63-9 is listed on the TSCA inventory.

SECTION 16 - ADDITIONAL INFORMATION
N/A

海关数据查看详细

中国海关编码：2934999090

概述：
2934999090. 其他杂环化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%
申报要素：
品名, 成分含量, 用途
摘要/Summary：
2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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：108.21

2、摩尔体积（cm3/mol）：430.7

3、等张比容（90.2K）：884

4、表面张力（dyne/cm）：17.7

5、介电常数：无可用的

6、极化率（10-24cm3）：42.89

7、单一同位素质量：384.14599 Da

8、标称质量：384 Da

9、平均质量：384.8393 Da

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:4

4.可旋转化学键数量:8

5.互变异构体数量:无

6.拓扑分子极性表面积36.9

7.重原子数量:21

8.表面电荷:0

9.复杂度:313

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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