2,2-二甲基-3-己醇

2,2-二甲基-3-己醇 基本信息
CAS号 4209-90-9 分子式 C8H18O
分子量 130.22800 精确质量 　130.13600
PSA 　20.23000 LogP 　2.19350
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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：
4209-90-9
3D弹球模型：
立即前往扯扯看
分子式：
C8H18O
分子量：
130.22800
中文名称：
2,2-二甲基-3-己醇
英文名称：
2,2-DIMETHYL-3-HEXANOL
中文别名：
2,2-二甲基-3-己醇;
1-(4-bromophenyl)-2-chloroethanone;
α-chloro-4-Bromoacetophenone;
2-Chloro-4'-bromo acetophenone;
p-Bromo-2-chloroacetophenone;
1-(4-bromophenyl)-2-chloroethan-1-one;
压泰生;
可乐定;
Sudanblack;
2,2-dimethyl-6-[(E)-{4-[(E)-phenyldiazenyl]naphthalen-1-yl}diazenyl]-2,3-dihydro-1H-perimidine;
Sudan Black B;
CHROMOTROPE 2 R;
Acid Red 29;
Chromotrop 2R;
Chromotrope 2 R (CI 16570);
disodium (3Z)-5-hydroxy-4-oxo-3-(phenylhydrazono)-3,4-dihydronaphthalene-2,7-disulfonate;
N-ethylheptadecafluorooctanesulphonamide;
N-Ethyl perfluoro octansulfonamide;
Sulfluramide;
N-[1,1,2,2-Tetrachloro-2-fluoroethylthio]-N-phenyl-methanesulfonamide;
1-Octanesulfonamide, N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-;
sulfluramid (bsi, ansi, draft e-iso);
N-Ethyl perfluorooctylsulphonamide 96%;
N-Ethylperfluorooctylsulphonamide96%;
SULPHLURAMID;
N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-1-Octanesulfonamide N-Ethy;
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-1-octanesulfonamide;
N-ethyl;
ethyl perfluorooctylsulfonamide;
R
英文别名：
2,2-DIMETHYL-3-HEXANOL;
2,2-DiMethyl-3-hexanol;
2,2-dimethylhexan-3-ol
精确分子量/精确质量：
130.13600
极性分子表面积/PSA：
20.23000
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：
MFCD00021929
EINECS：
224-135-1
InChI：
InChI=1/C8H18O/c1-5-6-7(9)8(2,3)4/h7,9H,5-6H2,1-4H3/t7-/m1/s1

物化性质展开↓

密度：
0,82 g/cm3
沸点：
156 °C
闪点：
56.6ºC
折射率：
1.425
存储条件/存储方法：

避光，通风干燥处，密封保存

稳定性相关：

常温常压下稳定

其它信息：

1.       性状：无色液体

2.       密度（g/mL,25/4℃）：0.830

3.       相对密度（20℃，4℃）：0.834

4.       常温折射率（n20）：1.426

5.       沸点（ºC,常压）：156.1

6.       常温折射率（n25）：1.424

7.       折射率：不确定

8.       闪点（ºC）：不确定

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：
2905199090
危险类别码：
36/37/38
安全说明：
S26-S36/37/39
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。
:

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化学图谱

  1. 2,2-二甲基-3-己醇红外图谱(IR1)

  2. 2,2-二甲基-3-己醇质谱(MS)

  3. 2,2-二甲基-3-己醇核磁图(13CNMR)

  4. 2,2-二甲基-3-己醇核磁图(1HNMR)

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毒理性展开↓

毒理学数据：

1、     主要的刺激性影响

在皮肤上面：刺激皮肤和粘膜

   在眼睛上面：刺激的影响

   过敏作用：没有已知的敏化影响

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↓

  2,2-Dimethyl-3-hexanol      Revision number: 5    
  SAFETY DATA SHEET
Section 1. IDENTIFICATION
  Product name:        2,2-Dimethyl-3-hexanol    
    
  Revision number:        5    
Section 2. HAZARDS IDENTIFICATION
  GHS classification
  PHYSICAL HAZARDS
    Category 3
  Flammable liquids
  HEALTH HAZARDS        Not classified    
    Not classified
  ENVIRONMENTAL HAZARDS
  GHS label elements, including precautionary statements
  Pictograms or hazard symbols
  Signal word        Warning    
  Hazard statements        Flammable liquid and vapour    
  Precautionary statements:
  [Prevention]        Keep away from heat/sparks/open flames/hot surfaces. - No smoking.    
    Keep container tightly closed.
    Use explosion-proof electrical/ventilating/lighting equipment. Take precautionary
    measures against ignition by the static discharge and the spark.
    Wear protective gloves/eye protection/face protection.
  [Response]        IF ON SKIN (or hair): Remove/Take off immediately all contaminated clothing. Rinse    
    skin with water/shower.
  [Storage]        Store in a well-ventilated place. Keep cool.    
    Dispose of contents/container through a waste management company authorized by
  [Disposal]
    the local government.
Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
  Substance/mixture:        Substance    
  Components:        2,2-Dimethyl-3-hexanol    
  Percent:        >98.0%(GC)    
  CAS Number:        4209-90-9    
  Chemical Formula:        C8H18O    
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.
  2,2-Dimethyl-3-hexanol
Section 4. FIRST AID MEASURES
  Skin contact:        Remove/Take off immediately all contaminated clothing. Rinse skin with    
    water/shower. 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:
  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: Keep containers cool by
    spraying with water. Eliminate all ignition sources 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 dry sand or inert absorbent before recovering it into an
  containment and cleaning airtight container. In case of large amount of spillage, contain a spill by bunding.
  up: Adhered or collected material should be promptly disposed of, in accordance with
    appropriate laws and regulations.
  Prevention of secondary Remove all sources of ignition. Fire-extinguishing devices should be prepared in
  hazards:        case of a fire. Use spark-proof tools and explosion-proof equipment.    
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. Keep away from heat/sparks/open flame/hot
    surfaces. -No smoking. Take measures to prevent the build up of electrostatic
    charge. Use explosion-proof equipment. Wash hands and face thoroughly after
    handling.
    Use a closed system if possible. 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, dark and well-ventilated place.    
    Store away from incompatible materials such as oxidizing agents.
  Packaging material:        Comply with laws.    
Section 8. EXPOSURE CONTROLS / PERSONAL PROTECTION
  Engineering controls:        Install a closed system or local exhaust. Also install safety shower and eye bath.    
  Personal protective equipment
  Respiratory protection: Vapor respirator. Follow local and national regulations.
  Hand protection:        Protective gloves.    
    Safety glasses. A face-shield, if the situation requires.
  Eye protection:
  Skin and body protection: Protective clothing. Protective boots, if the situation requires.
  2,2-Dimethyl-3-hexanol
Section 9. PHYSICAL AND CHEMICAL PROPERTIES
  Physical state (20°C):        Liquid    
    Clear
  Form:
  Colour:        Colorless - Almost colorless    
    No data available
  Odour:
  pH: No data available
  Melting point/freezing point:No data available
  Boiling point/range:        156°C    
    No data available
  Flash point:
  Flammability or explosive
  limits:
  Lower:        No data available    
    No data available
  Upper:
  Relative density:        0.83    
  Solubility(ies):
  [Water]        No data available    
    No data available
  [Other solvents]
Section 10. STABILITY AND REACTIVITY
  Chemical stability:        Stable under proper conditions.    
  Possibility of hazardous No special reactivity has been reported.
  reactions:
  Conditions to avoid:        Spark, Open flame, Static discharge    
  Incompatible materials: Oxidizing agents
  Hazardous decomposition Carbon monoxide, Carbon dioxide
  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:
  IARC =        No data available    
    No data available
  NTP =
  Reproductive toxicity:        No data available    
Section 12. ECOLOGICAL INFORMATION
  Ecotoxicity:
  Fish:        No data available    
  Crustacea:        No data available    
  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):
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.
  2,2-Dimethyl-3-hexanol
Section 14. TRANSPORT INFORMATION
  Hazards Class:        3: Flammable liquid.    
  UN-No:        1987    
  Proper shipping name:        Alcohols, n.o.s.    
  Packing group:        III    
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：2905199090

概述：
2905199090. 其他饱和一元醇. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 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, 包装
摘要/Summary：
2905199090. saturated monohydric alcohols. VAT:17.0%. Tax rebate rate:13.0%. . 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：40.57

2、   摩尔体积（cm3/mol）：158.5

3、   等张比容（90.2K）：359.6

4、   表面张力（dyne/cm）：26.4

5、   极化率（10-24cm3）：16.08

计算化学数据

1.疏水参数计算参考值（XlogP）:2.6

2.氢键供体数量:1

3.氢键受体数量:1

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20.2

7.重原子数量:9

8.表面电荷:0

9.复杂度:71.1

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:1

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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