4-甲基辛烷

4-甲基辛烷 基本信息
CAS号 2216-34-4 分子式 C9H20
分子量 128.25986 精确质量 　128.15650
PSA 　0.00000 LogP 　3.61280
我要卖该产品 我要采购该产品
充值推广 查看更多供应商
目录
基本信息 制备方法与用途 物化性质 安全信息 合成路线 化学图谱 毒性 MSDS 结构与计算数据 上下游

基本信息 展开↓

CAS号：
2216-34-4
3D弹球模型：
立即前往扯扯看
分子式：
C9H20
分子量：
128.25986
中文名称：
4-甲基辛烷
英文名称：
Octane, 4-methyl-
中文别名：
4-甲基辛烷;
3-methyloctane;
octane, 3-methyl-;
4,4?Oxybis(benzoic acid);
Oxybisbenzoic acid;
4,4'-Oxybisbenzoic acid;
4,4'-Dicarboxydiphenyl ether;
Diphenyl ether 4,4'-dicarboxylic acid;
4-(4-carboxyphenoxy)benzoic acid;
4,4'-oxydibenzoic acid;
4,4-Oxybisbenzoic acid;
4,4'-oxybis(benzoic acid);
Z-Lysine;
N2-Cbz-L-Lysine;
N-Alpha-Cbz-L-Lysine;
N(alpha)-Z-L-lysine;
2-(2-methoxyphenyl)oxirane;
2-[(2-methoxyphenoxy)methyl]oxirane;
2-[(2-methoxyphenoxy) methyl]-Oxirane;
Guaiacol glycidyl ether;
isobutyl-[2]naphthyl ether;
Isobutyl-[2]naphthyl-aether;
2-Isobutyloxy-naphthalin;
Isobutyl-β-naphthyl-aether;
β-naphthyl isobutyl ether;
isobutoxynaphthalene;
LA 956;
Myamin;
NPL 1;
NSC 169499;
NSC 25159;
Nitan;
Notair;
Okodon;
PIO;
PT 360;
Pemolin;
Pemolina;
Pemolinum;
Phenalone;
Phenilone;
Pheniminooxazolidinone;
Phenoxazole;
Phenylisohydantoin;
Phenylpseudohydantoin;
Pioxol;
Pomoline;
Pondex;
Ronyl;
Sigmadyn;
Sistra;
Sofro;
Stimul;
Stimulol;
Tradon;
Tradone;
Volital;
Volitol;
Yh 1;
4(5H)-Oxazolone, 2-amino-5-phenyl-;
4-Oxazolidinone, 2-imino-5-phenyl-;
Pemoline (including organometal
英文别名：
Octane, 4-methyl-;
4-Methyloctane;
(±)-4-Methyloctane;
NSC 23691
精确分子量/精确质量：
128.15650
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。
EINECS：
218-687-2
InChI：
InChI=1/C9H20/c1-4-6-8-9(3)7-5-2/h9H,4-8H2,1-3H3

生产制备方法及用途展开↓

制备方法

气相色谱分析标准。有机合成。

用途简介

用途

 气相色谱分析标准。有机合成。

物化性质展开↓

密度：
0.722 g/cm3
沸点：
141.6ºC at 760 mmHg
闪点：
24.2ºC
折射率：
n20/D 1.405
蒸汽压：
7.26mmHg at 25°C
存储条件/存储方法：

本品应密封于阴凉处保存

稳定性相关：

常温常压下稳定 ，易燃

其它信息：

1.      性状：无色液体

2.      密度（g/mL,20ºC）：0.72

3.      液相标准燃烧热(焓)(kJ·mol-1)：-6120.30

4.      熔点（ºC）：-113.2

5.      沸点（ºC,常压）：142

6.      液相标准声称热(焓)( kJ·mol-1)：-279.57

7.      折射率（nD20）：1.405

8.      闪点（ºC）：20

9.      液相标准热熔(J·mol-1·K-1)：281.2

10.   自燃点或引燃温度（ºC）：未确定

11.   蒸气压（Pa,25ºC）：未确定

12.   饱和蒸气压（kPa,20ºC）：未确定

13.   燃烧热（KJ/mol）：未确定

14.   临界温度（ºC）：未确定

15.   临界压力（KPa）：未确定

16.   油水（辛醇/水）分配系数的对数值：未确定

17.   爆炸上限（%,V/V）：未确定

18.   爆炸下限（%,V/V）：未确定

19.   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

安全信息

包装等级：
II
风险类别：
3.1
危险类别码：
11
危险标志：
F

合成路线查看所有的合成路线

  • 637-97-8

    2-碘戊烷

  • →

    ~99%

  • 2216-34-4

    4-甲基辛烷

  • 107-81-3

    2-溴戊烷

  • →

    ~93%

  • 2216-34-4

    4-甲基辛烷

化学图谱

  1. 4-甲基辛烷核磁图(1HNMR)

  2. 4-甲基辛烷核磁图(13CNMR)

  3. 4-甲基辛烷红外图谱(IR1)

上一页 1/3 下一页

毒理性

生态数据：

对水是稍微有害的，不要让未稀释或大量的产品接触地下水，水道或者污水系统，若无政府许可，勿将材料排入周围环境

MSDS 展开↓

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

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：43.70

2、   摩尔体积（cm3/mol）：177.4

3、   等张比容（90.2K）：387.6

4、   表面张力（dyne/cm）：22.7

5、介电常数（F/m）：1.96

6、 极化率（10-24cm3）：17.32

计算化学数据

1.疏水参数计算参考值（XlogP）:4.8

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:5

5.互变异构体数量:无

6.拓扑分子极性表面积0

7.重原子数量:9

8.表面电荷:0

9.复杂度:48

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

上下游相关产品

上游产品

更多

  • 637-97-8

    2-碘戊烷

  • 187737-37-7

    1-propene

  • 107-81-3

    2-溴戊烷

  • 109-72-8

    正丁基锂

  • 625-29-6

    2-氯戊烷

下游产品

  • 620-14-4

    3-乙基甲苯

  • 103-65-1

    正丙苯

立即下载安装“化学加”APP
专业、功能强大，随时调用更加方便
下载APP