2216-34-4

(4-甲基辛烷,4-METHYLOCTANE)
4-甲基辛烷结构式图片|2216-34-4结构式图片
4-甲基辛烷
4-METHYLOCTANE
2216-34-4
C9H20
128.2551
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:4-甲基辛烷结构式
4-甲基辛烷MOL
16665

名称和标识符

MDLMFCD00039963
InChIKeyDOGIHOCMZJUJNR-UHFFFAOYSA-N
InchiInChI=1S/C9H20/c1-4-6-8-9(3)7-5-2/h9H,4-8H2,1-3H3
SMILESCC(CCCC)CCC

别名信息

- 中文别名 -

  • 4-甲基辛烷

- 英文别名 -

  • 4-METHYLOCTANE
  • 1,3-dimethylheptane
  • Octane, 4-methyl-
  • NISTC2216344
  • Nsc23691
  • 4-methyl-octane
  • 4-Methyloctane1000µg
  • EINECS 218-687-2
  • inaktives 4-Methyl-octan
  • Octane,4-methyl
  • NSC-23691
  • LMFA11000433
  • Q2816675
  • 2216-34-4
  • NSC 23691
  • DTXSID90862876
  • MFCD00039963
  • FT-0634138
  • DOGIHOCMZJUJNR-UHFFFAOYSA-N
  • NS00049658
  • NSC23691

物化性质

实验特性

LogP3.61280
PSA0.00000
折射率n20/D 1.405
沸点142 °C
熔点-113.2°C
闪点20 °C
颜色与性状无色液体
溶解性易溶于乙醚、丙酮、苯和其他有机溶剂,溶于乙醇,不溶于水
密度0.72

计算特性

精确分子量128.15700
氢键供体数量0
氢键受体数量0
可旋转化学键数量5
同位素质量128.157
重原子数量9
复杂度48
同位素原子数量0
确定原子立构中心数量0
不确定原子立构中心数量1
确定化学键立构中心数量0
不确定化学键立构中心数量0
共价键单元数量1
疏水参数计算参考值(XlogP)4.8
互变异构体数量
表面电荷0
拓扑分子极性表面积0A^2

安全信息

安全术语 3.1
安全说明 16
包装等级 II
风险术语 R11
危险品标志F F
危险品运输编号 UN 1920
PackingGroup II
危险类别码 11
HazardClass 3.1

国际标准相关数据

EINECS218-687-2

生产方法和用途

用途气相色谱分析标准。有机合成。

相关文献

专业数据库参考

PubChemId16665

4-甲基辛烷 MSDS

基础信息


Section I.Chemical Product and Company Identification
    Chemical Name 4-Methyloctane
    Portland OR
    Synonym        Not available.    
    Chemical Formula        CH3(CH2)3CH(CH3)(CH2)2CH3    
    CAS Number        2216-34-4    

Section II.        Composition and Information on Ingredients    
    Chemical Name        CAS Number Percent (%)        TLV/PEL        Toxicology Data    
    4-Methyloctane        2216-34-4        Min. 99.0 Not available.        Not available.    
    (GC)

Section III. Hazards Identification
    Acute Health Effects        No specific information is available in our data base regarding the toxic effects of this material for humans. However,    
    exposure to any chemical should be kept to a minimum. Skin and eye contact may result in irritation. May be harmful if
    inhaled or ingested. Always follow safe industrial hygiene practices and wear proper protective equipment when handling
    this compound.
    Follow safe industrial hygiene practices and always wear proper protective equipment when handling this compound.
    Chronic Health Effects        CARCINOGENIC EFFECTS : Not available.    
    MUTAGENIC EFFECTS : Not available.
    TERATOGENIC EFFECTS : Not available.
    DEVELOPMENTAL TOXICITY: Not available.
    Repeated or prolonged exposure to this compound is not known to aggravate existing medical conditions.

Section IV.        First Aid Measures    
    Eye Contact        Check for and remove any contact lenses. In case of contact, immediately flush eyes with plenty of water for at least 15    
    minutes. Get medical attention.
    Skin Contact        In case of contact, immediately flush skin with plenty of water. Remove contaminated clothing and shoes. Wash clothing    
    before reuse. Thoroughly clean shoes before reuse. Get medical attention.
    Inhalation        If the victim is not breathing, perform mouth-to-mouth resuscitation. Loosen tight clothing such as a collar, tie, belt or    
    waistband. If breathing is difficult, oxygen can be administered. Seek medical attention if respiration problems do not
    improve.
    Ingestion        INDUCE VOMITING by sticking finger in throat. Lower the head so that the vomit will not reenter the mouth and throat.    
    Loosen tight clothing such as a collar, tie, belt or waistband. If the victim is not breathing, perform mouth-to-mouth
    resuscitation. Examine the lips and mouth to ascertain whether the tissues are damaged, a possible indication that the
    toxic material was ingested; the absence of such signs, however, is not conclusive.

Section V. Fire and Explosion Data
    Not available.
    Flammability        Flammable.        Auto-Ignition    
    Flash Points        Flammable Limits        Not available.    
    20°C (68°F).
    Combustion Products
    These products are toxic carbon oxides (CO, CO 2).
    Fire Hazards
    Not available.
    Explosion Hazards        Risks of explosion of the product in presence of mechanical impact: Not available.    
    Risks of explosion of the product in presence of static discharge: Not available.
    Fire Fighting Media
    Flammable liquid.
    SMALL FIRE: Use DRY chemical powder.
    and Instructions
    LARGE FIRE: Use alcohol foam, water spray or fog.
    Consult with local fire authorities before attempting large scale fire-fighting operations.
    Continued on Next Page
    Chemical Produ

Section VI.        Accidental Release Measures    
    Spill Cleanup        Flammable liquid.    
    Instructions        Keep away from heat. Mechanical exhaust required. Stop leak if without risk. Absorb with DRY earth, sand or other    
    non-combustible material. DO NOT touch spilled material. Prevent entry into sewers, basements or confined areas; dike
    if needed. Consult federal, state, and/or local authorities for assistance on disposal.

Section VII. Handling and Storage
    Handling and Storage        FLAMMABLE. Keep away from heat. Mechanical exhaust required. Avoid excessive heat and light. Do not breathe    
    gas/fumes/ vapor/spray.
    Information
    Always store away from incompatible compounds such as oxidizing agents.

Section VIII. Exposure Controls/Personal Protection
    Engineering Controls        Provide exhaust ventilation or other engineering controls to keep the airborne concentrations of vapors below their    
    respective threshold limit value. Ensure that eyewash station and safety shower is proximal to the work-station location.
    Personal Protection        Splash goggles. Lab coat. Vapor respirator. Boots. Gloves. Suggested protective clothing might not be sufficient;    
    consult a specialist BEFORE handling this product. Be sure to use a MSHA/NIOSH approved respirator or equivalent.
    Exposure Limits        Not available.    

Section IX. Physical and Chemical Properties
    Solubility
    Physical state @ 20°C        Liquid. (Colorless, clear.)        Not available.    
    0.72 (water=1)
    Specific Gravity
    Molecular Weight        128.26        Partition Coefficient        Not available.    
    Boiling Point        142°C (287.6°F)        Vapor Pressure        Not available.    
    Melting Point        Not available.        Vapor Density        0.719 (Air = 1)    
    1.405        Volatility        Not available.    
    Refractive Index
    Critical Temperature        Not available.        Odor        Not available.    
    Viscosity        Not available.        Taste        Not available.    

Section X.        Stability and Reactivity Data    
    Stability    
This material is stable if stored under proper conditions. (See Section VII for instructions)    
    Conditions of Instability        Avoid excessive heat and light.    
    Incompatibilities
    Reactive with oxidizing agents.

Section XI. Toxicological Information
    RTECS Number        Not available.    
    Eye Contact. Ingestion. Inhalation.
    Routes of Exposure
    Toxicity Data        Not available.    
    Chronic Toxic Effects        CARCINOGENIC EFFECTS : Not available.    
    MUTAGENIC EFFECTS : Not available.
    TERATOGENIC EFFECTS : Not available.
    DEVELOPMENTAL TOXICITY: Not available.
    Repeated or prolonged exposure to this compound is not known to aggravate existing medical conditions.
    Acute Toxic Effects        No specific information is available in our data base regarding the toxic effects of this material for humans. However,    
    exposure to any chemical should be kept to a minimum. Skin and eye contact may result in irritation. May be harmful if
    inhaled or ingested. Always follow safe industrial hygiene practices and wear proper protective equipment when handling
    this compound.
    Follow safe industrial hygiene practices and always wear proper protective equipment when handling this compound.
    Continued on Next Page
    4-Methyloctane

Section XII.        Ecological Information    
    Ecotoxicity        Not available.    
    Environmental Fate        Not available.    

Section XIII. Disposal Considerations
    Recycle to process, if possible. Consult your local regional authorities. You may be able to dissolve or mix material with a
    Waste Disposal
    combustible solvent and 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 XIV. Transport Information
    DOT Classification        CLASS 3: Flammable liquid.    
    PIN Number
    Proper Shipping Name
    Hydrocarbons, liquid, n.o.s.
    Packing Group (PG)        II    
    DOT Pictograms

Section XV. Other Regulatory Information and Pictograms
    TSCA Chemical Inventory        This product is NOT on the EPA Toxic Substances Control Act (TSCA) inventory. The following notices are required by 40    
    CFR 720.36 (C) for those products not on the inventory list:
    (EPA)
    (i) These products are supplied solely for use in research and development by or under the supervision of a technically
    qualified individual as defined in 40 CFR 720.0 et sec.
    (ii) The health risks of these products have not been fully determined. Any information that is or becomes available will be
    supplied on an MSDS sheet.
    WHMIS Classification        CLASS B-2: Flammable liquid with a flash point lower than 37.8°C (100°F).    
    (Canada)
    EINECS Number (EEC) 218-687-2
    EEC Risk Statements        R11- Highly flammable.    
    R18- In use, may form flammable/explosive vapor-air mixture.


SECTION 16 - ADDITIONAL INFORMATION
N/A
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