十六烷环己烷 | 6812-38-0

• 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: 十六烷环己烷
• 中文别名: 正十六烷基环己烷；十六烷基环己烷
• 英文名称: hexadecylcyclohexane
• 英文别名: n-hexadecylcyclohexane；1-cyclohexyl-hexadecane；1-Cyclohexyl-hexadecan；hexadecyl-cyclohexane；n-Hexadecylcyclohexan；Cyclohexane, hexadecyl-
• CAS: 6812-38-0
• 化学式: C₂₂H₄₄
• 分子量: 308.591
• InChiKey: NRHBFNBZAZZTAU-UHFFFAOYSA-N

物化性质

• 熔点：
  33.61°C
• 沸点：
  363.95°C (estimate)
• 密度：
  0.8033 (estimate)
• 保留指数：
  2272

计算性质

• 辛醇/水分配系数(LogP)：
  11.6
• 重原子数：
  22
• 可旋转键数：
  15
• 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

• 海关编码：
  2902199090
• 储存条件：
  室温且干燥

SDS

Hexadecylcyclohexane
SAFETY DATA SHEET

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Section 1. IDENTIFICATION
Product name: Hexadecylcyclohexane

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Section 2. HAZARDS IDENTIFICATION
GHS classification
PHYSICAL HAZARDS Not classified
HEALTH HAZARDS
Aspiration hazard Category 1
Not classified
ENVIRONMENTAL HAZARDS
GHS label elements, including precautionary statements
Pictograms or hazard symbols
Signal word Danger
Hazard statements
May be fatal if swallowed and enters airways
Precautionary statements:
[Response] IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician. Do NOT
induce vomiting.
[Storage] Store locked up.
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: Hexadecylcyclohexane
Percent: >97.0%(GC)
CAS Number: 6812-38-0
Synonyms: 1-Cyclohexylhexadecane
Chemical Formula: C22H44

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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.
Skin contact: Remove/Take off immediately all contaminated clothing. Rinse skin with
water/shower. If skin irritation or rash occurs: Get medical advice/attention.
Hexadecylcyclohexane

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Section 4. FIRST AID MEASURES
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: Immediately call a POISON CENTER or doctor/physician. Rinse mouth. Do NOT
induce vomiting.
Protection of first-aiders: A rescuer should wear personal protective equipment, such as rubber gloves and air-
tight goggles.

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Section 5. FIRE-FIGHTING MEASURES
Suitable extinguishing Dry chemical, foam, water spray, carbon dioxide.
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: Remove movable
containers 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
Use extra personal protective equipment (P3 filter respirator for toxic particles). Keep
Personal precautions,
protective equipment and people away from and upwind of spill/leak. Entry to non-involved personnel should
emergency procedures: be controlled around the leakage area by roping off, etc.
Environmental precautions: Prevent product from entering drains.
Methods and materials for Sweep dust to collect it into an airtight container, taking care not to disperse it.
containment and cleaning Adhered or collected material should be promptly disposed of, in accordance with
up: appropriate laws and regulations.

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Section 7. HANDLING AND STORAGE
Precautions for safe handling
Handling is performed in a well ventilated place. Wear suitable protective equipment.
Technical measures:
Prevent dispersion of dust. Wash hands and face thoroughly after handling.
Use a closed system if possible. Use a local exhaust if dust 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 and dark place.
Store locked up.
Store away from incompatible materials such as oxidizing agents.
Packaging material: Comply with laws.

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Section 8. EXPOSURE CONTROLS / PERSONAL PROTECTION
Install a closed system or local exhaust. Also install safety shower and eye bath.
Engineering controls:
Personal protective equipment
Respiratory protection: Dust respirator, self-contained breathing apparatus(SCBA), supplied air respirator,
etc. Use respirators approved under appropriate government standards and follow
local and national regulations.
Hand protection: Impervious gloves.
Safety goggles. A face-shield, if the situation requires.
Eye protection:
Skin and body protection: Impervious protective clothing. Protective boots, if the situation requires.

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Section 9. PHYSICAL AND CHEMICAL PROPERTIES
Physical state (20°C): Solid
Crystal- Lump
Form:
Colour: White - Very pale yellow
No data available
Odour:
Hexadecylcyclohexane

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Section 9. PHYSICAL AND CHEMICAL PROPERTIES
pH: No data available
Melting point/freezing point:32°C (Freezing point)
Boiling point/range: No data available
Flash point: No data available
Flammability or explosive
limits:
Lower: No data available
Upper: No data available
Relative density: No data available
Solubility(ies):
[Water] No data available
[Other solvents] No data available
Other data: This product might be a liquid because of super cooling.

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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:
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
NTP = No data available
Reproductive toxicity: No data available

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Section 12. ECOLOGICAL INFORMATION
Ecotoxicity:
Fish: No data available
Crustacea: No data available
No data available
Algae:
Persistence / degradability: No data available
No data available
Bioaccumulative
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 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 14. TRANSPORT INFORMATION
Hazards Class: Does not correspond to the classification standard of the United Nations
UN-No: Not listed
Hexadecylcyclohexane

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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：

  十六烷环己烷 、 硫脲 以83%的产率得到
  参考文献：
  名称：

  OVEZOV, A. A.;AJDOGDYEV, A.;SERGIENKO, S. R., IZV. AN TSSR. CEP. FIZ.-TEXN., XIM. I GEOL. N., 1984, N 3, 95-97

  摘要：

  DOI：
• 作为产物：
  描述：

  十六烷基苯 在 钯 作用下， 100.0 ℃ 、4.9 MPa 条件下， 生成 十六烷环己烷
  参考文献：
  名称：

  Fuel Research Board, Oil and Colour Trades Journal, 1934, vol. 86, p. 1475,1477

  摘要：

  DOI：

文献信息

• Chloroform as a Hydrogen Atom Donor in Barton Reductive Decarboxylation Reactions
  作者：Junming Ho、Jingjing Zheng、Rubén Meana-Pañeda、Donald G. Truhlar、Eun Jung Ko、G. Paul Savage、Craig M. Williams、Michelle L. Coote、John Tsanaktsidis

  DOI：10.1021/jo400927y

  日期：2013.7.5

  decarboxylations and to determine the scope of this process. The results from this study show that hydrogen atom transfer from chloroform occurs directly under kinetic control and is aided by a combination of polar effects and quantum mechanical tunneling. Chloroform acts as an effective hydrogen atom donor for primary, secondary, and tertiary alkyl radicals, although significant chlorination was also observed

  氯仿同时作为溶剂和范围的羧酸的巴顿还原脱羧氢原子供体的用途最近已证明（KO，EJ等人，有机化学快报。2011，13，1944年）。在目前的工作中，进行了电子结构计算，直接动力学计算和实验研究的组合，以研究氯仿如何在Barton还原性脱羧反应中充当氢原子供体，并确定该过程的范围。这项研究的结果表明，氯仿中的氢原子转移直接在动力学控制下发生，并且受极性效应和量子力学隧穿的共同作用。氯仿可作为伯，仲和叔烷基的有效氢原子供体，尽管未应变的叔羧酸也可观察到明显的氯化反应。
• C(sp3)–C(sp3) Coupling of Cycloalkanes and Alkyl Halides via Dual Photocatalytic Hydrogen Atom Transfer and Nickel Catalysis
  作者：Ramadevi Pilli、Keerthika Selvam、Bala S. S. Balamurugan、Vidya Jose、Ramesh Rasappan

  DOI：10.1021/acs.orglett.4c00567

  日期：2024.4.19

  Functionalization of C(sp3)–H bonds represents the most straightforward and atom-economical transformation in organic synthesis. An innovative approach integrating photocatalytic hydrogen atom transfer (HAT) and transition metal catalysis has made significant progress in the coupling of α-heterosubstituted C–H bonds with alkyl halides. However, unactivated alkanes were ineffective as a result of the

  C(sp 3 )–H 键的官能化代表了有机合成中最直接且最经济的转化。结合光催化氢原子转移（HAT）和过渡金属催化的创新方法在α-杂取代C-H键与卤代烷的偶联方面取得了重大进展。然而，由于大量副产物的形成，未活化的烷烃是无效的。在此，我们证明了环烷烃和苄基溴/伯烷基碘偶联中的直接 HAT 和镍催化作用。此外，十钨酸四丁基铵（TBADT）也被回收和再利用。
• On social percolation and small world network
  作者：E. Ahmed、H.A. Abdusalam

  DOI：10.1007/s100510070218

  日期：2000.7

  The social percolation model is generalized to include the propagation of two mutually exclusive competing effects on a one-dimensional ring and a two-dimensional square lattice. It is shown that the result depends significantly on which effect propagates first i.e. it is a non-commutative phenomenon. Then the propagation of one effect is studied on a small network. It generalizes the work of Moore and Newman of a disease spread to the case where the susceptibility of the population is random. Three variants of the Domany-Kinzel model are given. One of them (delayed) does not have a chaotic region for some value of the delay weight.
• Schmidt; Grosser, Chemische Berichte, 1940, vol. 73, p. 930,931
  作者：Schmidt、Grosser

  DOI：——

  日期：——
• Lenne,H.-U. et al., Chemische Berichte, 1968, vol. 101, p. 2435 - 2444
  作者：Lenne,H.-U. et al.

  DOI：——

  日期：——