3-methyl-2-hexene | 17618-77-8

• 分子结构分类: 有机化合物 - 碳氢化合物 - 不饱和烃
• 英文名称: 3-methyl-2-hexene
• 英文别名: 3-Methylhex-2-ene
• CAS: 17618-77-8
• 化学式: C₇H₁₄
• 分子量: 98.1882
• InChiKey: JZMUUSXQSKCZNO-UHFFFAOYSA-N

物化性质

• 沸点：
  94 °C
• 密度：
  0.72

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  7
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

SDS

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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

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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)

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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.
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. SEEK IMMEDIATE MEDICAL
ATTENTION in case of ingestion of a radioactive material.

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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)

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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.

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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. 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.

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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. 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.

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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.

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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.
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)

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

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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 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.

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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

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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 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.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  3-methyl-2-hexene 在 盐酸 作用下， 生成 3-氯-3-甲基己烷
  参考文献：
  名称：

  Nasarow, Chemische Berichte, 1937, vol. 70, p. 620

  摘要：

  DOI：
• 作为产物：
  描述：

  二乙基-(1-乙基-1-甲基-丁基)-胺 生成 3-methyl-2-hexene
  参考文献：
  名称：

  Montagne, Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, 1928, vol. 186, p. 875

  摘要：

  DOI：

文献信息

• Convenient ‘one-flask’ synthesis of olefins. Reaction of α-chloroketones with Grignard reagents and lithium
  作者：José Barluenga、Miguel Yus、Pablo Bernad

  DOI：10.1039/c3978000847a

  日期：——

  Olefins and diolefins with the double bonds in predetermined positions are prepared in a one-step process in moderate to good yields by the reaction of α-chloroketones with Grignard reagents and then with lithium.

  通过α-氯酮与格氏试剂然后与锂反应，以一步到中等的产率制备具有预定位置双键的烯烃和二烯烃。
• Heilmann et al., Bulletin de la Societe Chimique de France, 1954, p. 992,993
  作者：Heilmann et al.

  DOI：——

  日期：——
• Goldwasser; Taylor, Journal of the American Chemical Society, 1939, vol. 61, p. 1757
  作者：Goldwasser、Taylor

  DOI：——

  日期：——
• Soday; Boord, Journal of the American Chemical Society, 1933, vol. 55, p. 3301
  作者：Soday、Boord

  DOI：——

  日期：——
• Montagne, Annales de Chimie (Cachan, France), 1930, vol. <10>13, p. 62,69,97,129
  作者：Montagne

  DOI：——

  日期：——

表征谱图