1-十四烷-3-甲基氯化咪唑翁 | 171058-21-2

• 物质功能分类: 有机原料 - 杂环化合物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 1-十四烷-3-甲基氯化咪唑翁
• 中文别名: 1-十四基-3-甲基咪唑氯盐；1-十四烷基-3-甲基咪唑氯盐
• 英文名称: 1-tetradecyl-3-methylimidazolium chloride
• 英文别名: 1-methyl-3-tetradecylimidazolium chloride；1-methyl-3-tetradecylimidazol-1-ium;chloride
• CAS: 171058-21-2
• 化学式: C₁₈H₃₅N₂*Cl
• 分子量: 314.942
• InChiKey: SDXDXENAFAXVMX-UHFFFAOYSA-M

物化性质

• 熔点：
  51-52 °C
• 稳定性/保质期：
  遵照规定使用和储存，则不会分解。

计算性质

• 辛醇/水分配系数(LogP)：
  2.02
• 重原子数：
  21
• 可旋转键数：
  13
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  8.8
• 氢给体数：
  0
• 氢受体数：
  1

安全信息

• 危险品标志：
  Xi
• 安全说明：
  S26,S37/39
• 危险类别码：
  R36/37/38
• 危险性防范说明：
  P264,P280,P302+P352,P337+P313,P305+P351+P338,P362+P364,P332+P313
• 危险性描述：
  H315,H319

SDS

Name:	1-Tetradecyl-3-Methylimidazolium Chloride Material Safety Data Sheet
Synonym:	None Known
CAS:	171058-21-2

Section 1 - Chemical Product MSDS Name:1-Tetradecyl-3-Methylimidazolium Chloride Material Safety Data Sheet
Synonym:None Known

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
171058-21-2	1-Tetradecyl-3-Methylimidazolium Chlor	ca. 100	unlisted

Hazard Symbols: XI
Risk Phrases: 36/37/38

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.Hygroscopic (absorbs moisture from the air).
Potential Health Effects
Eye:
Causes eye irritation. May cause chemical conjunctivitis.
Skin:
Causes skin irritation.
Ingestion:
May cause gastrointestinal irritation with nausea, vomiting and diarrhea.
Inhalation:
Causes respiratory tract irritation. Can produce delayed pulmonary edema.
Chronic:
Effects may be delayed.

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Section 4 - FIRST AID MEASURES
Eyes: Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse.
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water. Wash mouth out with water.
Inhalation:
Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid. Do NOT use mouth-to-mouth resuscitation.
Notes to Physician:
Treat symptomatically and supportively.

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Section 5 - FIRE FIGHTING MEASURES
General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or chemical foam.

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Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container. Avoid runoff into storm sewers and ditches which lead to waterways. Clean up spills immediately, observing precautions in the Protective Equipment section. Provide ventilation.

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Section 7 - HANDLING and STORAGE
Handling:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with eyes, skin, and clothing. Avoid contact with skin and eyes. Keep container tightly closed. Avoid ingestion and inhalation. Use with adequate ventilation. Wash clothing before reuse.
Storage:
Store in a cool, dry place. Store in a tightly closed container.
Store protected from moisture.

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Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 171058-21-2: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.

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Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Liquid
Color: Not available.
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: Not available.
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density: Not available.
Molecular Formula: C18H35ClN2
Molecular Weight: 314.95

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures. Hygroscopic: absorbs moisture or water from the air.
Conditions to Avoid:
Incompatible materials, excess heat, exposure to moist air or water.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Hydrogen chloride, nitrogen oxides, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 171058-21-2 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
1-Tetradecyl-3-Methylimidazolium Chloride - Not listed by ACGIH, IARC, or NTP.

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Section 12 - ECOLOGICAL INFORMATION

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Section 13 - DISPOSAL CONSIDERATIONS
Dispose of in a manner consistent with federal, state, and local regulations.

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Section 14 - TRANSPORT INFORMATION

IATA
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XI
Risk Phrases:
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 37/39 Wear suitable gloves and eye/face
protection.
WGK (Water Danger/Protection)
CAS# 171058-21-2: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 171058-21-2 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 171058-21-2 is not listed on the TSCA inventory.
It is for research and development use only.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  1-十四烷-3-甲基氯化咪唑翁 在 水 作用下， 生成 1-tetradecyl-3-methylimidazolium hydroxide
  参考文献：
  名称：

  具有水诱导相变行为的苯丙氨酸基离子液晶

  摘要：

  选择1-苯丙氨酸（L-Phe）和d-苯丙氨酸（D-Phe）作为手性源，以与1-十四烷基-3-甲基咪唑鎓氢氧化物（C 14 mimOH）相互作用。两种离子液晶（ILC），[C 14 mim] [L-Phe]和[C 14已准备好mim] [D-Phe]。两种ILC均表现出良好的热稳定性，并且在没有溶剂的情况下，可以在相当宽的温度范围内（从〜-20°C到〜105°C）自组装为近晶A（SmA）中间相。当引入水时，ILC表现出丰富的溶致相行为。随着水含量的增加，ILC从SmA中间相转变为立方Ia3d，然后转变为Im3m中间相，最终产生由许多扁平纤维组成的沉淀。ILC的流变特性（包括机械强度和粘度）表现出取决于温度和水含量的变化。ILC很好地继承了氨基酸的手性。这项工作提出了一种简单的一步自组装方法来构建基于天然生物分子的手性材料，

  DOI：

  10.1016/j.molliq.2019.112399
• 作为产物：
  描述：

  N-甲基咪唑 、 氯代十四烷 反应 168.0h， 生成 1-十四烷-3-甲基氯化咪唑翁
  参考文献：
  名称：

  Liquid-crystalline ionic liquids

  摘要：

  低熔点盐是与工业相关的离子液体的基础，它们在较宽的温度范围内表现出胶凝 A 介相。

  DOI：

  10.1039/cc9960001625

文献信息

• Physicochemical Properties of Long Chain Alkylated Imidazolium Based Chloride and Bis(trifluoromethanesulfonyl)imide Ionic Liquids
  作者：Nastaran Hazrati、Majid Abdouss、Ali Akbar Miran Beigi、Ali Asghar Pasban、Mahmoud Rezaei

  DOI：10.1021/acs.jced.7b00242

  日期：2017.10.12

  research synthesis, purification and characterization of six long-chain imidazolium based ionic liquids (ILs) including C10, C12, and C14 alkyl chain with chloride and NTf2 anions was investigated. All of these studied ILs were characterized using NMR, CHNSO, and DSC, and some impurities such as water, chloride, and metal contents were reported. The temperature dependence of some physicochemical properties

  在这项研究中，六种长链咪唑基离子液体（IL）的合成，纯化和表征，包括带有氯和NTf 2的C 10，C 12和C 14烷基链对阴离子进行了研究。使用NMR，CHNSO和DSC对所有这些研究的IL进行了表征，并报道了一些杂质，例如水，氯化物和金属含量。还研究了在283.15至363.15 K范围内合成的IL的一些物理化学性质（例如密度，动态和运动粘度，折射率，表面张力和热稳定性）的温度依赖性，并将结果与​​文献进行了比较。 。而且，使用测量的数据，计算出IL的热膨胀系数和摩尔极化率。另一方面，解释了烷基链长度和阴离子的影响。结果表明，尽管折射率和粘度随烷基链长度的增加而增加，密度和表面张力结果相应降低。此外，结果表明合成的离子液体是燃料添加剂的最佳选择。
• Organic salt conditioner, organic salt-containing composition, and uses thereof
  申请人：L'OREAL

  公开号：US20040005286A1

  公开（公告）日：2004-01-08

  The present invention relates to the use of, and a composition containing, at least one non-polymeric organic salt with a melting point of less than 60° C. These organic salts may be imidazolium, pyrazolium, pyridinium, pyrimidinium or tetraalkylphosphonium salts. The inventinon composition may be used for washing (cleaning) and/or conditioning keratin materials, and especially the hair.

  本发明涉及使用至少一种熔点低于60°C的非聚合有机盐的用途和组合物。这些有机盐可以是咪唑盐、吡唑盐、吡啶盐、嘧啶盐或四烷基磷酸铵盐。该发明的组合物可用于洗涤（清洁）和/或调理角蛋白材料，特别是头发。
• Nanoreactors stable up to 200 °C: a class of high temperature microemulsions composed solely of ionic liquids
  作者：Yuanchao Pei、Jie Ru、Kaisheng Yao、Lihui Hao、Zhiyong Li、Huiyong Wang、Xingqi Zhu、Jianji Wang

  DOI：10.1039/c8cc02901f

  日期：——

  A class of microemulsions solely consisting of ionic liquids was shown to maintain nanoscale droplets up to about 200 °C, and this unique property was used to prepare porous Pt where the microemulsions played the roles of a solvent, a template and a reductant.

  一种仅由离子液体组成的微乳液类别被证明可以在约200°C时保持纳米级液滴，这一独特性质被用来制备多孔铂，其中微乳液充当了溶剂、模板和还原剂的角色。
• Tunable LCST-type phase behavior of [FeCl4]--based ionic liquids in water
  作者：Yuanchao Pei、Yuan Cao、Yanjie Huang、Xinxin Song、Huiyong Wang、Yuling Zhao、Jianji Wang

  DOI：10.1007/s11426-016-5577-0

  日期：2016.5

  In this work, 16 kinds of [FeCl4]--based magnetic ionic liquids (ILs) with different cation structures have been designed and synthesized, and their structures are characterized by IR and Raman spectroscopy. Then the lower critical solution temperature (LCST)-type phase behavior of these magnetic ILs in water is investigated as a function of concentration. It is shown that cation structure, alkyl chain length and molar ratio of FeCl3/chloride IL have a significant influence on the LCST of the mixtures. The phase separation temperature can be tuned efficiently by these factors. Meanwhile, the LCST-type phase separation process is also investigated by dynamic light scattering. The results support the mechanism that the hydrogen bonds of the [FeCl4]- anion with water have been gradually disrupted to form ILs aggregates with increasing temperature. In addition, the stability of the ILs in water is also examined in some details. These LCST-type phase separation systems may have potential applications in extraction and separation techniques at room temperature.

  本研究设计并合成了 16 种具有不同阳离子结构的[FeCl4]基磁性离子液体（ILs），并利用红外光谱和拉曼光谱对其结构进行了表征。然后研究了这些磁性离子液体在水中的低临界溶液温度（LCST）型相行为与浓度的函数关系。结果表明，阳离子结构、烷基链长度和 FeCl3/chloride IL 的摩尔比对混合物的 LCST 有显著影响。相分离温度可通过这些因素进行有效调节。同时，还利用动态光散射对 LCST 型相分离过程进行了研究。结果支持[FeCl4]-阴离子与水的氢键随着温度升高而逐渐断裂形成 ILs 聚集体的机理。此外，还详细研究了 ILs 在水中的稳定性。这些 LCST 型相分离系统可能会在室温下的萃取和分离技术中得到潜在应用。
• Ionic Liquids Containing Boron Cluster Anions
  作者：Mark Nieuwenhuyzen、Kenneth R. Seddon、Francesc Teixidor、Alberto V. Puga、Clara Viñas

  DOI：10.1021/ic801448w

  日期：2009.2.2

  and some of the cations typically found in the composition of ionic liquids has been possible by straightforward metathetic reactions, producing new low melting point salts; the imidazolium cations have been systematically studied, [Cnmim]+ (when [Cnmim]+ = 1-alkyl-3-methylimidazolium; n = 2, 4, 6, 8, 10, 12, 14, 16, or 18). Melting points increase in the anionic order [Co(C2B9H11)2]− < [C2B9H12]− <

  通过简单的易位反应，产生新的低熔点盐，可以将不同的硼簇阴离子与通常在离子液体组成中发现的某些阳离子结合起来。已系统研究了咪唑鎓阳离子，[C n mim] +（当[C n mim] + = 1-烷基-3-甲基咪唑鎓时；n = 2、4、6、8、10、12、14、16或18）。熔点以阴离子顺序[Co（C 2 B 9 H 11）2 ] - <[C 2 B 9 H 12 ] - <[B 10Cl 10 ] 2- <[B 12 Cl 12 ] 2-。然而，烷基链的长度极大地影响了热行为，表明堆积效率低是室温离子液体存在的主要原因。盐[C n mim] [Co（C 2 B 9 H 11）2 ]（n = 4、6、8、10、12或14）在室温下为液体，具有极低的玻璃化转变温度（≥-34 °C）。盐[C n mim] 2 [X]（[X] 2- = [B 10 Cl 10 ] 2-或[B 12 Cl 12 ] 2-，n＝