仲丁醚

仲丁醚 基本信息
CAS号 6863-58-7 分子式 C8H18O
分子量 130.22800 精确质量 　130.13600
PSA 　9.23000 LogP 　2.60000
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等价的CAS号：

6863-58-7,17226-28-7,17226-36-7
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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：
6863-58-7
3D弹球模型：
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分子式：
C8H18O
分子量：
130.22800
中文名称：
仲丁醚
英文名称：
Di-Sec-Butyl Ether
中文别名：
仲丁醚;
双(2-丁基)醚;
仲丁基醚
英文别名：
Di-Sec-Butyl Ether;
2-butan-2-yloxybutane
精确分子量/精确质量：
130.13600
极性分子表面积/PSA：
9.23000
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：
MFCD00039921
EINECS：
229-961-6
PubChem：
24873677
InChI：
InChI=1S/C8H18O/c1-5-7(3)9-8(4)6-2/h7-8H,5-6H2,1-4H3

物化性质展开↓

密度：
0.759 g/mL at 25ºC(lit.)
沸点：
121ºC(lit.)
闪点：
78 °F
折射率：
n20/D 1.394(lit.)
存储条件/存储方法：
库房通风低温干燥,与氧化剂,食品原料分开存

安全信息展开↓

海关代码：
2909199090
WGK_Germany：
3
德国有关水污染物质的分类清单
危险类别码：
10-20
RTECS号：
EQ2220000
安全标志：
S7:保持容器紧密封闭。
S9:保持容器在一个有良好通风放的场所。
S16:远离火源。
危险标志：
Xn

合成路线查看所有的合成路线

  • 201230-82-2

    carbon monoxide

  • +

  • 78-92-2

    仲丁醇

  • →

    ~1%

  • 137-32-6

    (±)-2-甲基-1-丁醇

  • +

  • 6863-58-7

    仲丁醚

  • 6986-48-7

    Bis(α-chloroethyl)ether

  • +

  • 557-20-0

    二乙基锌

  • →

  • 6863-58-7

    仲丁醚

  • 187737-37-7

    187737-37-7

  • +

  • 71-36-3

    正丁醇

  • →

  • 617-29-8

    2-甲基-3-己醇

  • +

  • 108-20-3

    异丙醚

  • +

  • 142-96-1

    二丁醚

  • +

  • 6863-58-7

    仲丁醚

化学图谱

  1. 仲丁基醚红外图谱(IR1)

  2. 仲丁基醚质谱(MS)

  3. 仲丁基醚核磁图(13CNMR)

  4. 仲丁基醚Raman光谱

  5. 仲丁基醚核磁图(1HNMR)

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毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
EQ2220000
CHEMICAL NAME :
sec-Butyl ether
CAS REGISTRY NUMBER :
6863-58-7
BEILSTEIN REFERENCE NO. :
1733014
LAST UPDATED :
199701
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C8-H18-O

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
130 gm/m3/15M
TOXIC EFFECTS :
Behavioral - general anesthetic
REFERENCE :
ANESAV Anesthesiology. (Lippincott/Harper, Journal Fulfillment Dept., 2350 Virginia Ave., Hagerstown, MD 21740) V.1- 1940- Volume(issue)/page/year: 11,455,1950

MSDS 展开↓

  sec-Butyl Ether (DL- and meso- mixture) (stabilized with Revision number: 6
  HQ)
  SAFETY DATA SHEET
Section 1. IDENTIFICATION
  Product name:        sec-Butyl Ether (DL- and meso- mixture) (stabilized with HQ)    
                  
  Revision number:        6    
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    
    Flammable liquid and vapour
  Hazard statements
  Precautionary statements:
    Keep away from heat/sparks/open flames/hot surfaces. - No smoking.
  [Prevention]
    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.    
  [Disposal]        Dispose of contents/container through a waste management company authorized by    
    the local government.
  Other hazards which do not        May cause polimerization.    
  result in classification
Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
  Substance/mixture:        Substance    
    sec-Butyl Ether (DL- and meso- mixture) (stabilized with HQ)
  Components:
  Percent:        >97.0%(GC)    
    6863-58-7
  CAS Number:
  Synonyms:        Di-sec-butyl Ether (DL- and meso- mixture) (stabilized with HQ)    
  Chemical Formula:        C8H18O    
  sec-Butyl Ether (DL- and meso- mixture)
  (stabilized with HQ)
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.
  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:
  Specific hazards arising This substance may polimerize explosively when heated or involved in a fire.
  from the chemical:        Container may explode when heated. Combat fire from a sheltered position.    
  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 a
  containment and cleaning covered 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.    
  sec-Butyl Ether (DL- and meso- mixture)
  (stabilized with HQ)
Section 8. EXPOSURE CONTROLS / PERSONAL PROTECTION
  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.
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:        121°C    
  Flash point:        26°C    
  Flammability or explosive
  limits:
  Lower:        No data available    
  Upper:        No data available    
  Relative density:        0.76    
  Solubility(ies):
  [Water]        No data available    
    No data available
  [Other solvents]
Section 10. STABILITY AND REACTIVITY
  Chemical stability:        Polymerization may occur under the influences of heat, light or on contact with    
    polymelization initiators such as peroxides etc.
  Possibility of hazardous No special reactivity has been reported.
  reactions:
    Heat, Spark, Open flame, Static discharge, Light
  Conditions to avoid:
  Incompatible materials: Oxidizing agents
  Hazardous decomposition Carbon monoxide, Carbon dioxide
  products:
Section 11. TOXICOLOGICAL INFORMATION
    ihl-mus LC50:130 g/m3/15M
  Acute Toxicity:
  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    
  RTECS Number:        EQ2220000    
Section 12. ECOLOGICAL INFORMATION
  Ecotoxicity:
  Fish:        No data available    
  Crustacea:        No data available    
    No data available
  Algae:
  Persistence / degradability: No data available
    No data available
  Bioaccumulative
  potential(BCF):
  Mobility in soil
  Log Pow:        No data available    
  sec-Butyl Ether (DL- and meso- mixture)
  (stabilized with HQ)
Section 12. ECOLOGICAL INFORMATION
  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.
Section 14. TRANSPORT INFORMATION
  Hazards Class:        3: Flammable liquid.    
  UN-No:        1149    
  Proper shipping name:        Dibutyl ethers    
  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：2909199090

概述：
2909199090. 其他无环醚及其卤化衍生物（包括磺化，硝化或亚硝化衍生物）. 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
摘要/Summary：
2909199090. other acyclic ethers and their halogenated, sulphonated, nitrated or nitrosated derivatives. 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↓

计算化学数据

1.疏水参数计算参考值（XlogP）:2.7

2.氢键供体数量:0

3.氢键受体数量:1

4.可旋转化学键数量:4

5.互变异构体数量:无

6.拓扑分子极性表面积9.2

7.重原子数量:9

8.表面电荷:0

9.复杂度:53.6

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:2

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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