戊基环戊烷 | 3741-00-2

• 物质功能分类: 有机原料 - 烃类化合物及其衍生物 - 环烃
• 分子结构分类: 有机化合物 - 碳氢化合物 - 饱和烃
• 中文名称: 戊基环戊烷
• 英文名称: n-pentylcyclopentane
• 英文别名: pentylcyclopentane；Pentyl-cyclopentan；n-Pentyl-cyclopentan
• CAS: 3741-00-2
• 化学式: C₁₀H₂₀
• mdl: MFCD00039451
• 分子量: 140.269
• InChiKey: HPQURZRDYMUHJI-UHFFFAOYSA-N

物化性质

• 熔点：
  -82.99°C
• 沸点：
  180 °C
• 密度：
  0.79
• 闪点：
  38 °C
• 溶解度：
  8.20e-07 M
• 保留指数：
  1033;1037.6;1035.3;1032;1031

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  10
• 可旋转键数：
  4
• 环数：
  1.0
• 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

安全信息

• 危险等级：
  3
• 海关编码：
  2902199090
• 危险品运输编号：
  UN 3295
• 储存条件：
  室温

SDS

Pentylcyclopentane Revision number: 5
SAFETY DATA SHEET

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Section 1. IDENTIFICATION
Product name: Pentylcyclopentane

Revision number: 5

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Section 2. HAZARDS IDENTIFICATION
GHS classification
PHYSICAL HAZARDS
Category 3
Flammable liquids
HEALTH HAZARDS Not classified
Not classified
ENVIRONMENTAL HAZARDS
GHS label elements, including precautionary statements
Pictograms or hazard symbols
Signal word Warning
Hazard statements Flammable liquid and vapour
Precautionary statements:
[Prevention] Keep away from heat/sparks/open flames/hot surfaces. - No smoking.
Keep container tightly closed.
Use explosion-proof electrical/ventilating/lighting equipment. Take precautionary
measures against ignition by the static discharge and the spark.
Wear protective gloves/eye protection/face protection.
[Response] IF ON SKIN (or hair): Remove/Take off immediately all contaminated clothing. Rinse
skin with water/shower.
[Storage] Store in a well-ventilated place. Keep cool.
Dispose of contents/container through a waste management company authorized by
[Disposal]
the local government.

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Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
Substance/mixture: Substance
Components: Pentylcyclopentane
Percent: >99.0%(GC)
CAS Number: 3741-00-2
Synonyms: Amylcyclopentane
C10H20
Chemical Formula:

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Section 4. FIRST AID MEASURES
Inhalation: Remove victim to fresh air and keep at rest in a position comfortable for breathing.
Get medical advice/attention if you feel unwell.
Pentylcyclopentane

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Section 4. FIRST AID MEASURES
Skin contact: Remove/Take off immediately all contaminated clothing. Rinse skin with
water/shower. If skin irritation or rash occurs: Get medical advice/attention.
Eye contact: Rinse cautiously with water for several minutes. Remove contact lenses, if present
and easy to do. Continue rinsing. If eye irritation persists: Get medical
advice/attention.
Ingestion: Get medical advice/attention if you feel unwell. Rinse mouth.
A rescuer should wear personal protective equipment, such as rubber gloves and air-
Protection of first-aiders:
tight goggles.

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Section 5. FIRE-FIGHTING MEASURES
Suitable extinguishing Dry chemical, foam, carbon dioxide.
media:
Unsuitable extinguishing Water (It may scatter and spread fire.)
media:
Precautions for firefighters: Fire-extinguishing work is done from the windward and the suitable fire-extinguishing
method according to the surrounding situation is used. Uninvolved persons should
evacuate to a safe place. In case of fire in the surroundings: Keep containers cool by
spraying with water. Eliminate all ignition sources if safe to do so.
Special protective When extinguishing fire, be sure to wear personal protective equipment.
equipment for firefighters:

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Section 6. ACCIDENTAL RELEASE MEASURES
Personal precautions, Use personal protective equipment. Keep people away from and upwind of spill/leak.
protective equipment and Ensure adequate ventilation. Entry to non-involved personnel should be controlled
emergency procedures: around the leakage area by roping off, etc.
Environmental precautions: Prevent product from entering drains.
Methods and materials for Absorb spilled material in dry sand or inert absorbent before recovering it into an
containment and cleaning airtight container. In case of large amount of spillage, contain a spill by bunding.
up: Adhered or collected material should be promptly disposed of, in accordance with
appropriate laws and regulations.
Prevention of secondary Remove all sources of ignition. Fire-extinguishing devices should be prepared in
hazards: case of a fire. Use spark-proof tools and explosion-proof equipment.

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Section 7. HANDLING AND STORAGE
Precautions for safe handling
Technical measures: Handling is performed in a well ventilated place. Wear suitable protective equipment.
Prevent generation of vapour or mist. Keep away from heat/sparks/open flame/hot
surfaces. -No smoking. Take measures to prevent the build up of electrostatic
charge. Use explosion-proof equipment. Wash hands and face thoroughly after
handling.
Use a closed system if possible. Use a ventilation, local exhaust if vapour or aerosol
will be generated.
Advice on safe handling: Avoid contact with skin, eyes and clothing.
Conditions for safe storage, including any
incompatibilities
Storage conditions: Keep container tightly closed. Store in a cool, dark and well-ventilated place.
Store away from incompatible materials such as oxidizing agents.
Packaging material: Comply with laws.

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Section 8. EXPOSURE CONTROLS / PERSONAL PROTECTION
Engineering controls: Install a closed system or local exhaust. Also install safety shower and eye bath.
Personal protective equipment
Respiratory protection: Vapor respirator. Follow local and national regulations.
Hand protection: Protective gloves.
Safety glasses. A face-shield, if the situation requires.
Eye protection:
Skin and body protection: Protective clothing. Protective boots, if the situation requires.
Pentylcyclopentane

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Section 9. PHYSICAL AND CHEMICAL PROPERTIES
Physical state (20°C): Liquid
Clear
Form:
Colour: Colorless - Almost colorless
No data available
Odour:
pH: No data available
Melting point/freezing point:No data available
Boiling point/range: 180°C
38°C
Flash point:
Flammability or explosive
limits:
Lower: No data available
No data available
Upper:
Relative density: 0.79
Solubility(ies):
[Water] No data available
No data available
[Other solvents]

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Section 10. STABILITY AND REACTIVITY
Chemical stability: Stable under proper conditions.
Possibility of hazardous No special reactivity has been reported.
reactions:
Conditions to avoid: Spark, Open flame, Static discharge
Incompatible materials: Oxidizing agents
Hazardous decomposition Carbon monoxide, Carbon dioxide
products:

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Section 11. TOXICOLOGICAL INFORMATION
Acute Toxicity: No data available
Skin corrosion/irritation: No data available
Serious eye No data available
damage/irritation:
Germ cell mutagenicity: No data available
Carcinogenicity:
IARC = No data available
No data available
NTP =
Reproductive toxicity: No data available

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Section 12. ECOLOGICAL INFORMATION
Ecotoxicity:
Fish: No data available
Crustacea: No data available
Algae: No data available
Persistence / degradability: No data available
Bioaccumulative No data available
potential(BCF):
Mobility in soil
Log Pow: No data available
Soil adsorption (Koc): No data available
Henry's Law No data available
constant(PaM3/mol):

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Section 13. DISPOSAL CONSIDERATIONS
Recycle to process, if possible. Consult your local regional authorities. You may be able to burn in a chemical
incinerator equipped with an afterburner and scrubber system. Observe all federal, state and local regulations when
disposing of the substance.
Pentylcyclopentane

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Section 14. TRANSPORT INFORMATION
Hazards Class: 3: Flammable liquid.
UN-No: 3295
Proper shipping name: Hydrocarbons, liquid, n.o.s.
Packing group: III

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Section 15. REGULATORY INFORMATION
Safe management ordinance of dangerous chemical product (State Council announces on January 26, 2002
and revised on February 16,2011): Safe use and production, the storage of a dangerous chemical, transport,
loading and unloading were prescribed.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  戊基环戊烷 、 alkaline earth salt of/the/ methylsulfuric acid 、 alkaline earth salt of/the/ methylsulfuric acid 生成 丁苯
  参考文献：
  名称：

  Margolis; Makarowa, Vestnik Moskovskogo Universiteta, 1954, vol. 9, # 8, p. 79

  摘要：

  DOI：
• 作为产物：
  描述：

  1,10-Dichlor-decin-5 在 palladium on barium sulfate 偶氮二异丁腈 、 氢气 、 三正丁基氢锡 作用下， 以 吡啶 、 苯 为溶剂， 反应 36.0h， 生成 戊基环戊烷
  参考文献：
  名称：

  Dodson,S.A.; Stipanovic,R.D., Journal of the Chemical Society. Perkin transactions I, 1975, p. 410 - 412

  摘要：

  DOI：

文献信息

• Accessing Alkyl- and Alkenylcyclopentanes from Cr-Catalyzed Ethylene Oligomerization Using 2-Phosphinophosphinine Ligands
  作者：Robert J. Newland、Alana Smith、David M. Smith、Natalie Fey、Martin J. Hanton、Stephen M. Mansell

  DOI：10.1021/acs.organomet.8b00063

  日期：2018.3.26

  2-phosphinophosphinines were compared to those of bidentate diphosphorus ligands computationally, contextualizing them in the ligand knowledge base for bidentate P,P donor ligands (LKB-PP), and were found to occupy an area of ligand space adjacent to Ar2PN(R)NAr2 ligands that have been successfully used in ethylene oligomerization reactions, but with well-separated properties in the second principal component. Testing

  将2-膦膦膦2-PPh 2 -3-Me-6-SiMe 3 -PC 5 H 2与盐酸进行甲硅烷基化反应，得到2-PPh 2 -3-Me-PC 5 H 3，表明该双齿的后期修饰杂环配体。这些配体的第6族金属羰基配合物表明κ 2结合和65.1-68.3非常小咬角°，并且还证明2- phosphinophosphinines供体性质可通过森达的存在容易地调谐3基团，其产生更多的π接受的次膦配体。通过计算比较了2-膦基膦的性质与双齿二磷配体的性质，在双齿P，P供体配体（LKB-PP）的配体知识库中对它们进行了上下文描述，发现它们占据了与Ar 2相邻的配位空间PN（R）NAr 2配体已成功用于乙烯低聚反应，但在第二主成分中具有良好的分离特性。在Cr催化的乙烯低聚反应中测试2-膦基膦亚胺显示出与标准PNP配体的主要区别，因为形成了高比例的烷基和烯基环戊烷。这表明2-膦基膦亚甲基的不同供体性质影响在金属环
• Unusual, CO assisted cyclo-oligomerization reactions of ethylene: formation of cyclopentane and cyclohexane derivatives by ytterbium Ziegler–Natta catalysts
  作者：Wilhelm Keim、Zhongxin Chen、Zhiquan Shen

  DOI：10.1039/c39890001923

  日期：——

  A new oligomerization of ethene to alkylcyclopentanes and/or alkylcyclohexanes using YbCl3/AlEtCl2 or ZrCl4/AlEtCl2 Ziegler–Natta type catalysts is described in which addition of carbon monoxide is essential.

  描述了一种使用YbCl 3 / AlEtCl 2或ZrCl 4 / AlEtCl 2 Ziegler-Natta型催化剂将乙烯新低聚为烷基环戊烷和/或烷基环己烷的方法，其中必须添加一氧化碳。
• New syntheses of alkenes and alkynes from amines
  作者：Alexander G. Godfrey、Bruce Ganem

  DOI：10.1021/ja00165a098

  日期：1990.4

  Synthese d'alcenes et d'alcynes par transposition chimique de (N-alkyl N-nitroso) acetamides

  合成这些 d'alcenes 和 d'alcynes par transposition chimique de (N-烷基 N-亚硝基) 乙酰胺
• Catalytic One‐Pot Conversion of Renewable Platform Chemicals to Hydrocarbon and Ether Biofuels through Tandem Hf(OTf) ₄ +Pd/C Catalysis
  作者：Dong‐Huang Liu、Tobin J. Marks、Zhi Li

  DOI：10.1002/cssc.201902137

  日期：2019.12.19

  conversion of renewable biomass platform chemicals into high-quality fuels remains challenging. A one-pot catalytic approach has been developed to synthesize various structurally defined biofuels by using Hf(OTf)4 and Pd/C for selective tandem catalysis and 2-methylfuran (2-MF) as a renewable feedstock. 2-MF first undergoes Lewis acid-catalyzed hydroxyalkylation/alkylation (HAA) condensation with carbonyl

  将可再生生物质平台化学品高效转化为优质燃料仍然具有挑战性。通过使用 Hf(OTf)4 和 Pd/C 进行选择性串联催化并使用 2-甲基呋喃 (2-MF) 作为可再生原料，开发了一种一锅法催化方法来合成各种结构确定的生物燃料。2-MF首先与羰基化合物进行路易斯酸催化的羟烷基化/烷基化（HAA）缩合，得到含有目标碳骨架的烃类或醚类产品的中间体，这些中间体再经加氢或加氢脱氧得到目标产物，在金属催化下三氟甲磺酸盐+Pd/C 在同一个锅中。本方法可以在温和条件下生产结构确定的烷烃和环醚。
• DIRECT PHOTOLYSIS AT 185 NM OF CYCLOPENTENE AND 2-NORBORNENE. A NOVEL REACTION CHANNEL FOR π,π^*EXCITED SINGLET ALKENE
  作者：Yoshihisa Inoue、Toshio Mukai、Tadao Hakushi

  DOI：10.1246/cl.1982.1045

  日期：1982.7.5

  Upon direct irradiation at 185 nm, the title compounds undergo hydrogen abstraction from the solvent via a π,π* excited singlet state as well as skeletal rearrangement via a π,R(3s) Rydberg excited state.

  在 185 nm 的直接照射下，标题化合物通过 π,π* 激发单线态从溶剂中夺氢，并通过 π,R(3s) Rydberg 激发态进行骨架重排。

表征谱图