2,4,4-三甲基-1-己烯 | 51174-12-0

• 物质功能分类: 生物 - 细胞培养 - 添加剂
• 分子结构分类: 有机化合物 - 碳氢化合物 - 不饱和烃
• 中文名称: 2,4,4-三甲基-1-己烯
• 中文别名: 2,3-二氟吡啶-4-甲酸
• 英文名称: 2,4,4-trimethyl-1-hexene
• 英文别名: 2,4,4-Trimethyl-hexen-(1)；2,4,4-trimethylhex-1-ene
• CAS: 51174-12-0
• 化学式: C₉H₁₈
• mdl: MFCD00048626
• 分子量: 126.242
• InChiKey: AVKVJWFFVHGHLJ-UHFFFAOYSA-N

物化性质

• 沸点：
  132 °C
• 密度：
  0.75
• 闪点：
  24 °C
• 稳定性/保质期：
  如果按照规格使用和储存，则不会分解，也未有已知危险反应。

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  9
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.777
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

安全信息

• 危险等级：
  3
• 海关编码：
  2901299090
• 危险品运输编号：
  UN 3295

SDS

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Section I.Chemical Product and Company Identification
Chemical Name 2,4,4-Trimethyl-1-hexene
Portland OR
Synonym 1-Hexene, 2,4,4-trimethyl- (CA INDEX NAME)
Chemical Formula C9H18
51174-12-0
CAS Number

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Section II. Composition and Information on Ingredients
Toxicology Data
Chemical Name CAS Number Percent (%) TLV/PEL
2,4,4-Trimethyl-1-hexene 51174-12-0 Min. 97.0 (GC) Not available. Not available.

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Section III. Hazards Identification
Acute Health Effects Aspiration hazard; may be fatal if swallowed and enters airways.
Follow safe industrial hygiene practices and always wear proper protective equipment when handling this compound.
CARCINOGENIC EFFECTS : Not available.
Chronic Health 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.

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Section IV. First Aid Measures
Check for and remove any contact lenses. In case of contact, immediately flush eyes with plenty of water for at least 15
Eye Contact
minutes. Get medical attention.
In case of contact, immediately flush skin with plenty of water. Remove contaminated clothing and shoes. Wash clothing
Skin Contact
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.
Flammable. Auto-Ignition
Flammability
Flammable Limits Not available.
Flash Points 24°C (75.2°F).
Combustion Products These products are toxic carbon oxides (CO, CO2).
Fire Hazards
Not available.
Risks of explosion of the product in presence of mechanical impact: Not available.
Explosion Hazards
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. Cool containing vessels with water jet in order to prevent pressure
build-up, autoignition or explosion. Consult with local fire authorities before attempting large scale fire-fighting operations.
Continued on Next Page
2,4,4-Trimethyl-1-hexene

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Section VI. Accidental Release Measures
Spill Cleanup Flammable material. Aspiration hazardous material.
Keep away from heat. Mechanical exhaust required. Stop leak if without risk. Absorb with DRY earth, sand or other
Instructions
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
FLAMMABLE. ASPIRATION HAZARD. Keep away from heat. Mechanical exhaust required. Avoid excessive heat and
Handling and Storage
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
Provide exhaust ventilation or other engineering controls to keep the airborne concentrations of vapors below their respective
Engineering Controls
threshold limit value. Ensure that eyewash station and safety shower is proximal to the work-station location.
Splash goggles. Lab coat. Vapor respirator. Boots. Gloves. Suggested protective clothing might not be sufficient; consult a
Personal Protection
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
Liquid. (Clear. Colorless, slightly pale Solubility
Physical state @ 20°C Not available.
yellow.)
0.75 (water=1)
Specific Gravity
Molecular Weight 126.24 Partition Coefficient Not available.
Boiling Point 132°C (269.6°F) Not available.
Vapor Pressure
Melting Point Not available. Vapor Density Not available.
1.42 Not available.
Refractive Index Volatility
Critical Temperature Not available. Odor Not available.
Not available. Not available.
Viscosity Taste

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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
Not available.
Toxicity Data
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.
Aspiration hazard; may be fatal if swallowed and enters airways.
Acute Toxic Effects
Follow safe industrial hygiene practices and always wear proper protective equipment when handling this compound.

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Section XII. Ecological Information
Not available.
Ecotoxicity
Not available.
Environmental Fate
Continued on Next Page
2,4,4-Trimethyl-1-hexene

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Section XIII. Disposal Considerations
Waste Disposal Recycle to process, if possible. Consult your local regional authorities. You may be able to dissolve 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 local regulations when disposing of the substance.

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Section XIV. Transport Information
DOT CLASS 3: Flammable liquid
DOT Classification
PIN Number
Proper Shipping Name Hydrocarbons, liquid, n.o.s.
Packing Group (PG) III
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) Not available.
EEC Risk Statements R10- Flammable.
R18- In use, may form flammable/explosive vapor-air mixture.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  苯基氯化硒 、 2,4,4-三甲基-1-己烯 以 二氯甲烷 为溶剂， 以100%的产率得到
  参考文献：
  名称：

  Garratt, Dennis G.; Kabo, Ann, Canadian Journal of Chemistry, 1980, vol. 58, p. 1030 - 1041

  摘要：

  DOI：

文献信息

• Regioselective Cobalt-Catalyzed Addition of Sulfides to Unactivated Alkenes
  作者：Vinay Girijavallabhan、Carmen Alvarez、F. George Njoroge

  DOI：10.1021/jo201016z

  日期：2011.8.5

  A novel method to synthesize tertiary alkyl/aryl sulfides in a mild and regioselective manner from unactivated alkenes using cobalt catalysis is described. The methodology is compatible with sensitive functionalities and is successful with several different types of alkenes and sulfides.

  描述了一种使用钴催化以温和和区域选择性的方式从未活化的烯烃合成叔烷基/芳基硫醚的新方法。该方法与敏感的功能兼容，并成功用于几种不同类型的烯烃和硫化物。
• Garratt, Dennis G.; Kabo, Ann, Canadian Journal of Chemistry, 1980, vol. 58, p. 1030 - 1041
  作者：Garratt, Dennis G.、Kabo, Ann

  DOI：——

  日期：——

表征谱图