N-癸基三乙氧基硅烷

N-癸基三乙氧基硅烷 基本信息
CAS号 18536-91-9 分子式 C18H40O3Si
分子量 332.59400 精确质量 　332.27500
PSA 　27.69000 LogP 　5.95570
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目录
基本信息 物化性质 安全信息 合成路线 化学图谱 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：
18536-91-9
3D弹球模型：
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分子式：
C18H40O3Si
分子量：
332.59400
中文名称：
N-癸基三乙氧基硅烷
英文名称：
dodecyl(triethoxy)silane
中文别名：
N-癸基三乙氧基硅烷;
正十二烷基三乙氧基硅烷;
十二烷基三乙氧基硅烷;
N-十二烷基三乙氧基硅
英文别名：
dodecyl(triethoxy)silane;
n-Dodecyltriethoxysilane;
Silane,dodecyltriethoxy;
LAURYL TRIETHOXY SILANE;
n-dodecyltriethoxysilane;
Triethox-dodecyl-silan;
Dodecyltriethoxysilane
精确分子量/精确质量：
332.27500
极性分子表面积/PSA：
27.69000
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：
MFCD00048437
EINECS：
242-409-9
PubChem：
24867818
BRN：
2414223
InChI：
InChI=1/C16H30O2/c1-15(17)13-11-9-7-5-3-4-6-8-10-12-14-16(2)18/h3-14H2,1-2H3

物化性质展开↓

密度：
0.875 g/mL at 20 °C(lit.)
熔点：
<0ºC
沸点：
152 °C
闪点：
>110°C
折射率：
n20/D 1.426
蒸汽压：
3.67E-05mmHg at 25°C
存储条件/存储方法：

常温密闭避光，通风干燥惰性气体下

稳定性相关：

常温常压下稳定

避免的物料：水分/潮湿 氧化物

其它信息：

1.       性状：不确定

2.       密度（g/mL,20/4℃）：0.875(lit.)

3.       相对蒸汽密度（g/mL,空气=1）：不确定

4.       熔点（ºC）：<0

5.       沸点（ºC,常压）：152

6.       沸点（ºC, 5.2kPa）：不确定

7.       折射率：n20/D 1.426

8.       闪点（ºC）：>110

9.       比旋光度（º）：不确定

10.    自燃点或引燃温度（ºC）：不确定

11.    蒸气压（kPa,25ºC）：不确定

12.    饱和蒸气压（kPa,60ºC）：不确定

13.    燃烧热（KJ/mol）：不确定

14.    临界温度（ºC）：不确定

15.    临界压力（KPa）：不确定

16.    油水（辛醇/水）分配系数的对数值：不确定

17.    爆炸上限（%,V/V）：不确定

18.    爆炸下限（%,V/V）：不确定

19.    溶解性：不确定

安全信息展开↓

海关代码：
2931900090
WGK_Germany：
3
德国有关水污染物质的分类清单
危险类别码：
R36/38
安全说明：
S26-S36
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

  • 112-41-4

    1-十二烯

  • +

  • 998-30-1

    三乙氧基硅烷

  • →

    ~96%

  • 18536-91-9

    N-癸基三乙氧基硅烷

  • 78-10-4

    硅酸四乙酯

  • +

  • 15890-72-9

    溴化十二基镁溶液

  • →

  • 18536-91-9

    N-癸基三乙氧基硅烷

化学图谱

  1. 正十二烷基三乙氧基硅烷红外图谱(IR1)

  2. 正十二烷基三乙氧基硅烷质谱(MS)

  3. 正十二烷基三乙氧基硅烷核磁图(13CNMR)

  4. 正十二烷基三乙氧基硅烷核磁图(1HNMR)

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毒理性展开↓

生态数据：

通常对水是不危害的，若无政府许可，勿将材料排入周围环境。

MSDS 展开↓

  Dodecyltriethoxysilane      Revision number: 5    
  SAFETY DATA SHEET
Section 1. IDENTIFICATION
  Product name:        Dodecyltriethoxysilane    
    
  Revision number:        5    
Section 2. HAZARDS IDENTIFICATION
  GHS classification
  PHYSICAL HAZARDS        Not classified    
  HEALTH HAZARDS
  Skin corrosion/irritation        Category 2    
    Category 2A
  Serious eye damage/eye irritation
  ENVIRONMENTAL HAZARDS        Not classified    
  GHS label elements, including precautionary statements
  Pictograms or hazard symbols
  Signal word        Warning    
  Hazard statements        Causes skin irritation    
    Causes serious eye irritation
  Precautionary statements:
    Wash hands thoroughly after handling.
  [Prevention]
    Wear protective gloves/eye protection/face protection.
    IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses,
  [Response]
    if present and easy to do. Continue rinsing.
    If eye irritation persists: Get medical advice/attention.
    IF ON SKIN: Gently wash with plenty of soap and water.
    If skin irritation occurs: Get medical advice/attention.
    Take off contaminated clothing and wash before reuse.
Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
  Substance/mixture:        Substance    
  Components:        Dodecyltriethoxysilane    
  Percent:        >93.0%(GC)    
  CAS Number:        18536-91-9    
  Synonyms:        Triethoxylaurylsilane    
    C18H40O3Si
  Chemical Formula:
Section 4. FIRST AID MEASURES
  Inhalation:        Remove victim to fresh air and keep at rest in a position comfortable for breathing.    
    Get medical advice/attention if you feel unwell.
  Dodecyltriethoxysilane
Section 4. FIRST AID MEASURES
  Skin contact:        Remove/Take off immediately all contaminated clothing. Gently wash with plenty of    
    soap and water. If skin irritation or rash occurs: Get medical advice/attention.
  Eye contact:        Rinse cautiously with water for several minutes. Remove contact lenses, if present    
    and easy to do. Continue rinsing. If eye irritation persists: Get medical
    advice/attention.
  Ingestion:        Get medical advice/attention if you feel unwell. Rinse mouth.    
    A rescuer should wear personal protective equipment, such as rubber gloves and air-
  Protection of first-aiders:
    tight goggles.
Section 5. FIRE-FIGHTING MEASURES
  Suitable extinguishing        Dry chemical, foam, carbon dioxide.    
  media:
  Unsuitable extinguishing Water (It may scatter and spread fire.)
  media:
  Specific hazards arising Take care as it may decompose upon combustion or in high temperatures to
  from the chemical:        generate poisonous fume.    
  Precautions for firefighters: Fire-extinguishing work is done from the windward and the suitable fire-extinguishing
    method according to the surrounding situation is used. Uninvolved persons should
    evacuate to a safe place. In case of fire in the surroundings: Remove movable
    containers if safe to do so.
  Special protective        When extinguishing fire, be sure to wear personal protective equipment.    
  equipment for firefighters:
Section 6. ACCIDENTAL RELEASE MEASURES
  Personal precautions,        Use personal protective equipment. Keep people away from and upwind of spill/leak.    
  protective equipment and Ensure adequate ventilation. Entry to non-involved personnel should be controlled
  emergency procedures: around the leakage area by roping off, etc.
  Environmental precautions: Prevent product from entering drains.
  Methods and materials for Absorb spilled material in a suitable absorbent (e.g. rag, dry sand, earth, saw-dust).
  containment and cleaning In case of large amount of spillage, contain a spill by bunding. Adhered or collected
  up: material should be promptly disposed of, in accordance with appropriate laws and
    regulations.
Section 7. HANDLING AND STORAGE
  Precautions for safe handling
  Technical measures:        Handling is performed in a well ventilated place. Wear suitable protective equipment.    
    Prevent generation of vapour or mist. Wash hands and face thoroughly after
    handling.
    Use a ventilation, local exhaust if vapour or aerosol will be generated.
  Advice on safe handling: Avoid contact with skin, eyes and clothing.
  Conditions for safe storage, including any
  incompatibilities
  Storage conditions:        Keep container tightly closed. Store in a cool and dark place.    
    Store under inert gas.
    Protect from moisture.
    Store away from incompatible materials such as oxidizing agents.
    Moisture-sensitive
  Packaging material:        Comply with laws.    
Section 8. EXPOSURE CONTROLS / PERSONAL PROTECTION
  Engineering controls:        Install a closed system or local exhaust as possible so that workers should not be    
    exposed directly. Also install safety shower and eye bath.
  Personal protective equipment
  Respiratory protection:        Vapor respirator. Follow local and national regulations.    
    Protective gloves.
  Hand protection:
  Eye protection:        Safety glasses. A face-shield, if the situation requires.    
  Dodecyltriethoxysilane
Section 8. EXPOSURE CONTROLS / PERSONAL PROTECTION
  Skin and body protection: Protective clothing. Protective boots, if the situation requires.
Section 9. PHYSICAL AND CHEMICAL PROPERTIES
  Physical state (20°C):        Liquid    
    Clear
  Form:
  Colour:        Colorless - Slightly pale yellow    
    No data available
  Odour:
  pH: No data available
  Melting point/freezing point:No data available
  Boiling point/range:        129°C/0.1kPa    
  Flash point:        No data available    
  Flammability or explosive
  limits:
  Lower:        No data available    
  Upper:        No data available    
  Relative density:        0.88    
  Solubility(ies):
  [Water]        No data available    
  [Other solvents]        No data available    
Section 10. STABILITY AND REACTIVITY
  Chemical stability:        Stable under proper conditions.    
  Possibility of hazardous No special reactivity has been reported.
  reactions:
  Incompatible materials: Oxidizing agents
  Hazardous decomposition Carbon monoxide, Carbon dioxide, Silicon oxides
  products:
Section 11. TOXICOLOGICAL INFORMATION
  Acute Toxicity:        No data available    
  Skin corrosion/irritation: No data available
  Serious eye        No data available    
  damage/irritation:
  Germ cell mutagenicity: No data available
  Carcinogenicity:
    No data available
  IARC =
  NTP =        No data available    
  Reproductive toxicity:        No data available    
Section 12. ECOLOGICAL INFORMATION
  Ecotoxicity:
  Fish:        No data available    
    No data available
  Crustacea:
  Algae:        No data available    
  Persistence / degradability: No data available
  Bioaccumulative        No data available    
  potential(BCF):
  Mobility in soil
  Log Pow:        No data available    
  Soil adsorption (Koc):        No data available    
  Henry's Law        No data available    
  constant(PaM3/mol):
  Dodecyltriethoxysilane
Section 13. DISPOSAL CONSIDERATIONS
    Recycle to process, if possible. Consult your local regional authorities. You may be able to burn in a chemical
    incinerator equipped with an afterburner and scrubber system. Observe all federal, state and local regulations when
    disposing of the substance.
Section 14. TRANSPORT INFORMATION
  Hazards Class:        Does not correspond to the classification standard of the United Nations    
  UN-No:        Not listed    
Section 15. REGULATORY INFORMATION
  Safe management ordinance of dangerous chemical product (State Council announces on January 26, 2002
  and revised on February 16,2011): Safe use and production, the storage of a dangerous chemical, transport,
    loading and unloading were prescribed.

SECTION 16 - ADDITIONAL INFORMATION
N/A

海关数据查看详细

中国海关编码：2931900090

概述：
2931900090. 其他有机-无机化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:AB(入境货物通关单,出境货物通关单). 最惠国关税:6.5%. 普通关税:30.0%
摘要/Summary：
2931900090. other organo-inorganic compounds. VAT:17.0%. Tax rebate rate:13.0%. Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward). MFN tariff:6.5%. 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：99.39

2、   摩尔体积（m3/mol）：380.4

3、   等张比容（90.2K）：866.4

4、   表面张力（dyne/cm）：26.8

5、   极化率（10-24cm3）：39.40

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:3

4.可旋转化学键数量:17

5.互变异构体数量:无

6.拓扑分子极性表面积27.7

7.重原子数量:22

8.表面电荷:0

9.复杂度:207

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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  • 112-41-4

    1-十二烯

  • 998-30-1

    三乙氧基硅烷

  • 78-10-4

    硅酸四乙酯

  • 15890-72-9

    溴化十二基镁溶液

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