4-甲基辛烷 | 2216-34-4

• 分子结构分类: 有机化合物 - 碳氢化合物 - 饱和烃
• 中文名称: 4-甲基辛烷
• 英文名称: 4-methyloctane
• 英文别名: 4-Methyl-octan；4-Methyloktan
• CAS: 2216-34-4
• 化学式: C₉H₂₀
• mdl: MFCD00039963
• 分子量: 128.258
• InChiKey: DOGIHOCMZJUJNR-UHFFFAOYSA-N

物化性质

• 熔点：
  -113.3 °C
• 沸点：
  142.4 °C
• 密度：
  0.7320 g/cm3(Temp: 16 °C)
• 保留指数：
  865.9;856.3;863.7;862.91;863.09;866;865.16;865.34;865.43;864;861;874.4;868;864.6;864.7;861;861;860;866;865;867;864.1;862.4;863;863;860.8;869.2;864;865.5;865;865.2;873;868;863;861;864;865;881
• 稳定性/保质期：
  在常温常压下，该物质是稳定的，但同时也具有易燃性。

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  9
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

ADMET

毒理性

• 副作用

神经毒素 - 急性溶剂综合征

Neurotoxin - Acute solvent syndrome

来源:Haz-Map, Information on Hazardous Chemicals and Occupational Diseases

安全信息

• 危险品标志：
  F
• 危险类别码：
  R11
• 包装等级：
  II
• 危险类别：
  3.1
• 危险品运输编号：
  UN 1920
• 储存条件：
  本品应密封存放在阴凉处。

SDS

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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

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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)

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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.

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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.

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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

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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.

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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.

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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.

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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.

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Section X. Stability and Reactivity Data
Stability

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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.

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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

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

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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.

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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

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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.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

制备方法与用途

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。

反应信息

• 作为反应物：
  描述：

  4-甲基辛烷 在 氯化亚砜 作用下， 以 四氯化碳 为溶剂， 反应 4.0h， 生成
  参考文献：
  名称：

  含有液晶基元的内酯芳族衍生物及制备方法 和侧链型液晶聚合物及其制备方法与应用

  摘要：

  本发明公开了一种含有液晶基元的内酯芳族衍生物及制备方法，以及由该含有液晶基元的内酯芳族衍生物作为聚合单体制备的侧链型液晶聚合物及其制备方法与应用。本发明首先采用有机合成方法制备含液晶基元的内酯衍生物，再利用开环聚合方法制备侧链型液晶聚合物，反应步骤简单，反应条件温和，且可通过控制引发剂及聚合单体的投料比合成指定分子量的聚合物。制备的侧链型液晶聚合物符合注塑、模压、挤出、涂覆等常规方法的加工要求。能够用于显示、光学记录、色谱分离、相变储能、生物组织恢复等领域。

  公开号：

  CN110483458B
• 作为产物：
  描述：

  4-甲基-4-辛醇 在 2-萘磺酸 作用下， 生成 4-甲基辛烷
  参考文献：
  名称：

  Jamison; Lesslie; Turner, Journal of the Institute of Petroleum, 1949, vol. 35, p. 595

  摘要：

  DOI：

文献信息

• Activation and isomerization of hydrocarbons over WO3/ZrO2 catalystsII. Influence of tungsten loading on catalytic activity: Mechanistic studies and correlation with surface reducibility and tungsten surface species
  作者：F DIGREGORIO、N KELLER、V KELLER

  DOI：10.1016/j.jcat.2008.02.026

  日期：2008.6.10

  and cracking reactions, associated with W6+ and W5+ surface species, was demonstrated. Second, on easily reducible (tungsten loadings >15 wt%) or deeply reduced (over 723 K) surfaces, a bifunctional mechanism associating dehydrogenating/hydrogenating properties occurring on metallic tungsten and acidic isomerization and cracking on W5+ and W6+ surface species was observed. However, in this last case,

  我们研究了WO 3 / ZrO 2样品对不饱和烃和饱和烃转化的催化行为，钨表面物种的氧化态以及氧化锆载体的晶体结构之间的相关性。研究了从9 wt％（近单层覆盖率）到30 wt％的不同负载钨的催化剂。通过将钨盐浸渍在市售单斜晶氧化锆或无定形氢氧化物ZrO x（OH）4-2 x上，获得了所得的WO 3 / ZrO 2材料。，然后进行煅烧步骤（根据Hino和Arata程序），从而形成四方结构。与以前的工作相比，这里我们证明了氧化锆的晶体结构对催化性能没有影响。与XPS分析的相关性揭示了催化行为的两个方面，这两个方面在很大程度上取决于催化剂的可还原性，并因此取决于W表面物种的氧化态。首先，在难以还原（钨含量<15 wt％）或略微还原（低于423 K）的表面上，用于异构化（主要占优势）和裂解反应的纯酸性单分子机理，与W 6+和W 5+有关表面物种，被证明。其次，在易于还原（钨含量> 15 wt％）或深度还原（超过723
• Structures of some aliphatic compounds in the essential oil of Mentha x Gentilis nm. Hirtella
  作者：Max von Schantz、Karl-Gustav Widén、Lisa Granqvist

  DOI：10.1016/0031-9422(75)83117-7

  日期：1975.9

  Abstract The structures of four new aliphatic compounds from the essential oil of Mentha x gentilis nm. hirtella have been elucidated as 2,4-dimethylhexane-2-ol, 5-methylnonanal, 2-butylhexanal and tetrahydrogeranyl acetate.

  摘要 薄荷精油中四种新的脂肪族化合物的结构。hirtella 已被阐明为 2,4-二甲基己烷-2-醇、5-甲基壬醛、2-丁基己醛和乙酸四氢香叶酯。
• [EN] GAS-TO-LIQUID REACTOR AND METHOD OF USING<br/>[FR] RÉACTEUR GAZ VERS LIQUIDE ET PROCÉDÉ D'UTILISATION
  申请人：PLASMERICA LLC

  公开号：WO2017040704A1

  公开（公告）日：2017-03-09

  A device and a process to propagate molecular growth of hydrocarbons, either straight or branched chain structures, that naturally occur in the gas phase to a molecular size sufficient to shift the natural occurring phase to a liquid or solid state is provided. According to one embodiment, the device includes a grounded reactor vessel having a gas inlet, a liquid outlet, and an electrode within the vessel; a power supply coupled to the electrode for creating an elecirostatic field within the vessel for converting the gas to a liquid and or solid state.

  提供了一种用于传播烃类分子生长的装置和过程，这些烃类分子可以是直链或支链结构，在气相中自然发生，使其分子大小足以将自然发生的相转变为液态或固态。根据一个实施例，该装置包括一个接地的反应器容器，具有一个气体进口、一个液体出口和容器内的一个电极；一个与电极耦合的电源，用于在容器内创建一个静电场，将气体转变为液态和/或固态。
• Alkene oligomerization process
  申请人：——

  公开号：US20040006250A1

  公开（公告）日：2004-01-08

  A process for oligomerising alkenes having from 3 to 6 carbon atoms which comprises contacting a feedstock comprising a) one or several alkenes having x carbon atoms, and, b) optionally, one or several alkenes having y carbon atoms, x and y being different, with a catalyst containing a zeolite of the MFS structure type, under conditions to obtain selectively oligomeric product containing predominant amounts of certain oligomers. The process is carried out at a temperature comprised between 125 and 175° C. when the feedstock contains only alkenes with 3 carbon atoms and between 140 and 240° C., preferably between 140 and 200° C. when the feedstock contains comprises at least one alkene with 4 or more carbon atoms.

  一种用于寡聚烯烃的方法，其含有从3到6个碳原子的烯烃，包括将含有a）一个或多个具有x个碳原子的烯烃，以及b）可选地，一个或多个具有y个碳原子的烯烃，其中x和y不同，与含有MFS结构类型沸石的催化剂接触，在条件下，以选择性地获得含有主要某些寡聚体的寡聚产物。当原料只含有3个碳原子的烯烃时，该过程在温度为125至175°C之间进行；当原料含有至少一种含有4个或更多碳原子的烯烃时，该过程在温度为140至240°C之间进行，优选在140至200°C之间进行。
• UPGRADING 5-NONANONE
  申请人：NESTE OYJ

  公开号：US20180086677A1

  公开（公告）日：2018-03-29

  Provided are fuel components, a method for producing fuel components, use of the fuel components and fuel containing the fuel components based on 5-nonanone.

  提供了燃料组分、生产燃料组分的方法、使用燃料组分的用途以及基于5-壬酮含有燃料组分的燃料。

表征谱图