3-甲基-2-己烯

3-甲基-2-己烯 基本信息
CAS号 17618-77-8 分子式 C7H14
分子量 98.18610 精确质量  98.10960
PSA  0.00000 LogP  2.75270

基本信息 展开↓

CAS号:
17618-77-8
3D弹球模型:
立即前往扯扯看
分子式:
C7H14
分子量:
98.18610
中文名称:
3-甲基-2-己烯
英文名称:
3-methylhex-2-ene
中文别名:
3-甲基-2-己烯;
3-甲基-2-己烯 (顺反异构体混合物)
英文别名:
3-methylhex-2-ene;
3-methyl-2-hexene;
3-methyl-hex-2-ene;
3-Methyl-2-hexene;
2-Hexene,3-methyl;
3-Methyl-hex-2-en
精确分子量/精确质量:
98.10960
极性分子表面积/PSA:
0.00000
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。
InChI:
The Key: JZMUUSXQSKCZNO-UHFFFAOYSA-N

物化性质展开↓

密度:
0.714g/cm3
沸点:
97.3ºC at 760mmHg
其它信息:

1.       性状:不确定

2.       密度(g/mL,25/4):0.72

3.       相对蒸汽密度(g/mL,空气=1):不确定

4.       熔点(ºC):不确定

5.       沸点(ºC,常压):94

6.       沸点(ºC, 5.2kPa):不确定

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

合成路线查看所有的合成路线

  • 927-77-5

    丙基溴化镁

  • +

  • 78-93-3

    2-丁酮

  • 3404-65-7

    (E)-,(Z)-(Et)(H)C=C(CH3)(Et)

  • +

  • 17618-77-8

    3-甲基-2-己烯

  • 2313-65-7

    3-甲基-2-己醇

  • 17618-77-8

    3-甲基-2-己烯

  • 589-55-9

    4-庚醇

  • 592-78-9

    3-庚烯

  • +

  • 17618-77-8

    3-甲基-2-己烯

化学图谱

  1. 3-甲基-2-己烯红外图谱(IR1)

上一页 1/4 下一页

MSDS 展开↓


Section I.Chemical Product and Company Identification
    Chemical Name        3-Methyl-2-hexene    
    (cis- and trans- mixture)
    Portland OR
    Synonym        Not available.    
    Chemical Formula        CH3(CH2)2C(CH3):CHCH3    
    CAS Number        17618-77-8    

Section II.        Composition and Information on Ingredients    
    Toxicology Data
    Chemical Name        CAS Number Percent (%)        TLV/PEL    
    3-Methyl-2-hexene        Min. 95.0 Not available.        Not available.    
    17618-77-8
    (cis- and trans- mixture)
    (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.
    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. SEEK IMMEDIATE MEDICAL
    ATTENTION in case of ingestion of a radioactive material.

Section V. Fire and Explosion Data
    Not available.
    Flammable.        Auto-Ignition    
    Flammability
    Flammable Limits
    Flash Points        Not available.    
    Not available.
    Combustion Products        These products are toxic carbon oxides (CO, CO 2).    
    Fire Hazards
    Reactive with strong oxidizers. Vapors may travel to source of ignition and flash back. Closed containers may explode
    from heat of a fire. Highly flammable in presence of open flames nad sparks, of heat.
    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
    SMALL FIRE: Use DRY chemical powder.
    and Instructions        LARGE FIRE: Use water spray, fog or foam. DO NOT use water jet.    
    Continued on Next Page
    Chemical Product
    (cis- and trans- mixture)

Section VI.        Accidental Release Measures    
    Spill Cleanup
    Flammable material.
    In case of a spill and/or a leak, always shut off any sources of ignition, ventilate the area, and excercise caution. Use a
    Instructions
    shovel to put material into a convenient waste disposal container. Finish cleaning the spill by rinsing any contaminated
    surfaces with copious amounts of water. 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. Reactive with strong oxidizers; may be
    ignited by heat, sparks or flames. Vapors may travel to source of ignition and flash back. Closed containers may explode
    from heat of a fire. Empty containers may pose a fire risk. Evaporate residue under a fume hood if possible. Ground all
    equipment containing material. Handle with caution and minimize exposure. Keep away from heat and sources of
    ignition. Tightly seal container and store in a cool, dry place. Use only non-sparking hand tool when handling this
    product.

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. Be sure to use a MSHA/NIOSH approved respirator or    
    equivalent. Suggested protective clothing might not be sufficient; consult a specialist BEFORE handling this product.
    Exposure Limits
    Not available.

Section IX. Physical and Chemical Properties
    Physical state @ 20°C        Liquid.        Solubility    
    Not available.
    0.73
    Specific Gravity
    Molecular Weight        Partition Coefficient    
    98.19        Not available.    
    Boiling Point        Vapor Pressure    
    94°C (201.2°F)        Not available.    
    Melting Point        Not available.        Vapor Density        Not available.    
    Refractive Index        Not available.        Volatility        Not available.    
    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.    
    CARCINOGENIC EFFECTS : Not available.
    Chronic Toxic Effects
    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.
    Continued on Next Page
    3-Methyl-2-hexene
    (cis- and trans- mixture)

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

Section XIII. Disposal Considerations
    Waste Disposal        Recycle to process, if possible. Consult your local regional authorities. You may be able to dissove or mix material with a    
    combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber system. Observe all
    federal, state and locl regulations when disposing of the substance.

Section XIV. Transport Information
    DOT Classification        DOT CLASS 3: Flammable liqui    
    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        WHMIS CLASS B-2: Flammable liquid with a flash point lower than 35°C (100°F).    
    (Canada)
    EINECS Number (EEC) Not available.
    EEC Risk Statements        R10- Flammable.    
    R18- In use, may form flammable/explosive vapor-air mixture.


SECTION 16 - ADDITIONAL INFORMATION
N/A

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:34.37

2、   摩尔体积(m3/mol):137.4

3、   等张比容(90.2K):294.0

4、   表面张力(dyne/cm):20.9

5、   极化率10-24cm3):13.62

计算化学数据


1、   疏水参数计算参考值(XlogP):3.3

2、   氢键供体数量:0

3、   氢键受体数量:0

4、   可旋转化学键数量:2

5、   拓扑分子极性表面积(TPSA):0

6、   重原子数量:7

7、   表面电荷:0

8、   复杂度:60.4

9、   同位素原子数量:0

10、   确定原子立构中心数量:0

11、   不确定原子立构中心数量:0

12、   确定化学键立构中心数量:1

13、   不确定化学键立构中心数量:0

14、   共价键单元数量:1

上下游相关产品

上游产品

更多
  • 927-77-5

    丙基溴化镁

  • 4091-39-8

    3-氯-2-丁酮

  • 597-96-6

    3-甲基-3-己醇

  • 824405-53-0

    diethyl-(1-ethyl-1-methyl-butyl)-amine

  • 592-76-7

    1-庚烯

下游产品

更多
  • 26028-56-8

    3-hydroxy-3-methylhexan-2-one

  • 64-19-7

    乙酸

  • 107-87-9

    2-戊酮

  • 43197-78-0

    3-氯-3-甲基己烷

立即下载安装“化学加”APP
专业、功能强大,随时调用更加方便