1-丁基-3-甲基咪唑正辛基硫酸 | 445473-58-5

• 物质功能分类: 化学试剂 - 有机试剂 - 离子液体
• 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-丁基-3-甲基咪唑正辛基硫酸
• 中文别名: 1-丁基-3-甲基咪唑辛硫酸盐；辛烷磺酸(1-丁基-3-甲基咪唑翁)；1-丁基-3-甲基咪唑硫酸辛酯
• 英文名称: 1-n-butyl-3-methylimidazolium octyl sulfate
• 英文别名: 1-butyl-3-methylimidazolium octylsulfate；1-butyl-3-methylimidazolium octyl sulphate；1-Butyl-3-methylimidazolium octyl sulfate；1-butyl-3-methylimidazol-3-ium;octyl sulfate
• CAS: 445473-58-5
• 化学式: C₈H₁₅N₂*C₈H₁₇O₄S
• 分子量: 348.507
• InChiKey: KIDIBVPFLKLKAH-UHFFFAOYSA-M

物化性质

• 熔点：
  37°C
• 密度：
  1.07 g/cm3
• 稳定性/保质期：
  按规定使用和贮存，该物质不会分解。同时需避免接触氧化剂。

计算性质

• 辛醇/水分配系数(LogP)：
  2.94
• 重原子数：
  23
• 可旋转键数：
  10
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.81
• 拓扑面积：
  83.6
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 危险品标志：
  Xi
• 安全说明：
  S36/37
• 危险类别码：
  R36/37/38
• WGK Germany：
  3
• 海关编码：
  2933290090
• 危险标志：
  GHS07
• 危险性描述：
  H315,H319,H335
• 危险性防范说明：
  P261,P305 + P351 + P338
• 储存条件：
  请将药品存放在密闭、阴凉、干燥的地方。

SDS

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Section 1: Product Identification
Chemical Name: 1-Butyl-3-methylimidazolium octylsulfate, 98% [BMIM] [OctSO4]
CAS Registry Number: 445473-58-5
Formula: C16H32N2O4S
EINECS Number: none
Chemical Family: organic amine salt
Synonym: 3-Butyl-1-methyl-3H-imidazol-1-ium; octylsulfate

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Section 2: Composition and Information on Ingredients
Ingredient CAS Number Percent ACGIH (TWA) OSHA (PEL)
Title Compound 445473-58-5 100% no data no data

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Section 3: Hazards Identification
Emergency Overview: Irritating to skin, eyes and mucous membranes. May be harmful if swallowed.
Primary Routes of Exposure: Ingestion, eyes, inhalation of dust
Eye Contact: Causes slight to mild irritation of the eyes.
Skin Contact: Causes slight to mild irritation of the skin.
Inhalation: Irritating to the nose, mucous membranes and respiratory tract.
Ingestion: May be harmful if swallowed. No specific information is available on the physiological effects of ingestion.
Acute Health Affects: Irritating to skin, eyes, and respiratory tract.
Chronic Health Affects: No information available on long-term chronic effects.
NTP: No
IARC: No
OSHA: No

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SECTION 4: First Aid Measures
Immediately flush the eyes with copious amounts of water for at least 10-15 minutes. A victim may need
Eye Exposure:
assistance in keeping their eye lids open. Get immediate medical attention.
Wash the affected area with water. Remove contaminated clothes if necessary. Seek medical assistance if
Skin Exposure:
irritation persists.
Remove the victim to fresh air. Closely monitor the victim for signs of respiratory problems, such as difficulty
Inhalation:
in breathing, coughing, wheezing, or pain. In such cases seek immediate medical assistance.
Seek medical attention immediately. Keep the victim calm. Give the victim water (only if conscious). Induce
Ingestion:
vomiting only if directed by medical personnel.

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SECTION 5: Fire Fighting Measures
Flash Point: none
Autoignition Temperature: none
Explosion Limits: none
Extinguishing Medium: carbon dioxide, dry powder or foam
Fire fighters should be equipped with a NIOSH approved positive pressure self-contained breathing apparatus
Special Fire Fighting Procedures:
and full protective clothing.
Hazardous Combustion and If involved in a fire this material may emit toxic organic fumes.
Decomposion Products:
Unusual Fire or Explosion Hazards: No unusual fire or explosion hazards.

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SECTION 6: Accidental Release Measures
Spill and Leak Procedures: Small spills can be mixed with vermiculite or sodium carbonate and swept up.

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SECTION 7: Handling and Storage
Handling and Storage: Store in a cool, dry place in a tightly sealed container.

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SECTION 8: Exposure Controls and Personal Protection
Eye Protection: Always wear approved safety glasses when handling a chemical substance in the laboratory.
Skin Protection: Wear protective clothing and gloves. Consult with glove manufacturer to determine the proper type of glove.
Ventilation: If possible, handle the material in an efficient fume hood.
If ventilation is not available a respirator should be worn. The use of respirators requires a Respirator
Respirator:
Protection Program to be in compliance with 29 CFR 1910.134.
Ventilation: If possible, handle the material in an efficient fume hood.
Additional Protection: No additional protection required.

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SECTION 9: Physical and Chemical Properties
Color and Form: beige solid
Molecular Weight: 348.51
Melting Point: 37°
Boiling Point: no data
Vapor Pressure: not applicable
Specific Gravity: no data
Odor: none
Solubility in Water: soluble

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SECTION 10: Stability and Reactivity
Stability: hygroscopic
Hazardous Polymerization: no hazardous polymerization
Conditions to Avoid: contact with moisture
Incompatibility: strong oxidizing agents
Decomposition Products: carbon dioxide, carbon monoxide, nitrogen oxides, and organic fumes.

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SECTION 11: Toxicological Information
RTECS Data: No information available in the RTECS files.
Carcinogenic Effects: no data
Mutagenic Effects: no data
Tetratogenic Effects: no data

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SECTION 12: Ecological Information
Ecological Information: No information available

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SECTION 13: Disposal Considerations
Disposal: Dispose of according to federal, state, and local regulations.

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SECTION 14: Transportation
Shipping Name (CFR): Non-hazardous
Hazard Class (CFR): NA
Additional Hazard Class (CFR): NA
Packaging Group (CFR): NA
UN ID Number (CFR): NA
Shipping Name (IATA): Non-hazardous
Hazard Class (IATA): NA
Additional Hazard Class (IATA): NA
Packaging Group (IATA): NA
UN ID Number (IATA): NA

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SECTION 15: Regulatory Information
TSCA: Not listed in the TSCA inventory.
SARA (Title 313): Title compound not listed.
Second Ingredient: none

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  1-丁基-3-甲基咪唑正辛基硫酸 、 β-环糊精 以 水 为溶剂， 反应 2.0h， 生成
  参考文献：
  名称：

  离子液体与α-和β-环糊精的主体-客体络合：1 H-NMR，13 C-NMR和COZY 的比较研究

  摘要：

  通过1 H NMR探索了在α-和β-环糊精（CDs）中由离子液体（IL）1-丁基-3-甲基咪唑鎓辛基硫酸盐[Bmim] [OS]形成的宿主-客体包合配合物，13 C NMR和2D 1 H– 1H COYY方法。系统地介绍了CD– [Bmim] [OS]宿主：客体复合物的形成机理。在NMR的帮助下，已对导致IL [Bmim] [OS]包含在CD腔中的结构效应和各种类型的相互作用（例如H键，静电力和疏水相互作用）进行了严格的讨论。方法。可以看出，疏水作用在支持CD- [Bmim] [OS] IC的形成中起着至关重要的作用。此外，从2D 1 H- 1 H COZY NMR获得的光谱结果表明，氢键和静电相互作用也对IL-CD IC的稳定性做出了重要贡献。

  DOI：

  10.1039/c8nj01840e
• 作为产物：
  描述：

  硫酸单辛酯铵盐 、 氯化(1-丁基-3-甲基咪唑) 反应 0.17h， 以83%的产率得到1-丁基-3-甲基咪唑正辛基硫酸
  参考文献：
  名称：

  Further investigation of the biodegradability of imidazolium ionic liquids

  摘要：

  本报告延续了我们之前的研究，介绍了一系列咪唑离子液体的设计原理，以及使用二氧化碳顶空试验（ISO 14593 方法，OECD 310）对其进行生物降解的情况。通过加入各种官能团和增加烷基链长度，进一步研究了咪唑离子 N 取代侧链的变化对这些盐类生物降解性的影响。一系列含有已知可生物降解分子的阴离子也被加入到一些咪唑盐中，并以类似的方式进行了研究。

  DOI：

  10.1039/b900787c
• 作为试剂：
  描述：

  乙基苯 在 1-丁基-3-甲基咪唑正辛基硫酸 、 C₂₂H₃₁NO₄ 、 氧气 、 cobalt(II) aceylacetonate 作用下， 以 neat (no solvent) 为溶剂， 80.0 ℃ 、100.0 kPa 条件下， 反应 6.0h， 生成 苏合香醇 、 苯乙酮
  参考文献：
  名称：

  NHPI / Co（II）催化体系促进乙苯的无溶剂好氧氧化：离子液体的关键作用

  摘要：

  咪唑鎓离子液体（IL）[bmim] [OcOSO 3 ]与Co（II）/ N-羟基邻苯二甲酰亚胺（NHPI）系统在无溶剂条件下乙苯的有氧氧化催化中的协同作用已通过以下方法得到证明：在80°C下，苯乙酮的转化率为35％，选择性为83％。在筛选了几种不同的IL和Co（II）盐组合后，已经选择了这种高性能的催化系统，并确保极性NHPI在亲脂性介质中的完全溶解而不需要对有机催化剂进行任何化学修饰即可。达到。这种增溶作用可以归因于[bmim] [OcOSO 3通过详细的NMR研究揭示了IL和NHPI，这也排除了以胶束或囊泡形式形成的较高IL聚集体。

  DOI：

  10.1002/cctc.201901737

文献信息

• [DE] VERFAHREN ZUR HERSTELLUNG VON IONISCHEN FLÜSSIGKEITEN MIT ALKYLSULFAT UND FUNKTIONALISIERTEN ALKYLSULFAT-ANIONEN<br/>[EN] METHOD FOR THE PRODUCTION OF IONIC LIQUIDS CONTAINING ALKYL SULPHATE AND FUNCTIONALISED ALKYL SULPHATE-ANIONS<br/>[FR] PROCEDE DE PRODUCTION DE LIQUIDES IONIQUES AVEC DU SULFATE D'ALKYLE ET DES ANIONS DE SULFATE D'ALKYLE FONCTIONNALISES
  申请人：SOLVENT INNOVATION GMBH

  公开号：WO2004096776A1

  公开（公告）日：2004-11-11

  Die Erfindung betrifft ein Verfahren zur Herstellung von ionischen Flüssigkeiten der allgemeinen Formel [Kation][R' -0­-S03].

  这项发明涉及一种制备一般式[Kation][R' -0­-S03]离子液体的方法。
• RESIN MODIFIER
  申请人：Kitayama Hiroaki

  公开号：US20120263883A1

  公开（公告）日：2012-10-18

  The present invention provides a resin modifier capable of obtaining a coating film having satisfactory basic performances such as antistatic properties, water resistance and transparency, a method for producing a coating film using the resin modifier, and a coating film obtained by the production method. The resin modifier of the present invention is a resin modifier represented by R 31 —O-(AO) n —SO 3 − , R 32 —OSO 3 − , or R 33 —SO 3 − and an ammonium ion that has a polymerizable unsaturated group.

  本发明提供了一种树脂改性剂，能够获得具有良好基本性能，如抗静电性能、耐水性和透明性的涂层膜，以及使用该树脂改性剂生产涂层膜的方法和通过该生产方法获得的涂层膜。本发明的树脂改性剂是由R31—O-(AO)n—SO3−、R32—OSO3−或R33—SO3−和具有聚合可不饱和基团的铵离子表示的树脂改性剂。
• [EN] PROCESSES FOR THE PREPARATION OF ARTEMISININ AN ITS PRECURSORS<br/>[FR] PROCÉDÉ DE PRÉPARATION D'ARTÉMISININE ET DE SES PRÉCURSEURS
  申请人：AMYRIS BIOTECHNOLOGIES INC

  公开号：WO2009088404A1

  公开（公告）日：2009-07-16

  The present invention provides processes for the preparation of artemisinin and its precursors including amorphadiene, amorphadiene epoxide, dihydroartemisinic alcohol and dihydroartemisinic acid. Specifically, artemisinin is prepared by multi-step synthetic processes from amorphadiene, amorphadiene epoxide, dihydroartemisinic alcohol or dihydroartemisinic acid. Processes for the preparation of amorphadiene, amorphadiene epoxide, dihydroartemisinic alcohol and dihydroartemisinic acid are also disclosed.

  本发明提供了制备青蒿素及其前体的方法，包括阿莫菲二烯、阿莫菲二烯环氧化物、二氢青蒿醇和二氢青蒿酸。具体来说，青蒿素通过从阿莫菲二烯、阿莫菲二烯环氧化物、二氢青蒿醇或二氢青蒿酸进行多步合成过程而制备。还公开了制备阿莫菲二烯、阿莫菲二烯环氧化物、二氢青蒿醇和二氢青蒿酸的方法。
• Aggregation of 1-alkyl-3-methylimidazolium octylsulphate ionic liquids and their interaction with Triton X-100 micelles
  作者：Khushbu Thakkar、Bhavesh Bharatiya、Vinod K. Aswal、Pratap Bahadur

  DOI：10.1039/c6ra14664c

  日期：——

  phase and aggregation behaviour of non-ionic surfactant Triton X-100 (TX-100) solution was investigated using cloud point (CP), 1H-NMR, zeta potential and scattering (DLS and SANS) techniques. These Cnmim C8SO4 ionic liquids show remarkable changes in the CP of TX-100 aqueous solutions and micelle size depending on the alkyl chain of the cation and anion. The site of Cnmim C8SO4 in TX-100 micelles was investigated

  合成了无卤表面活性和双亲性离子液体1-烷基-3-甲基咪唑鎓辛基硫酸盐（C n mim C 8 SO 4，n = 4、6、8、10 ），并使用表面张力，电导率研究了它们的水溶液行为，1 H核磁共振（1 H-NMR）和小角中子散射（SANS）。这些阳离子型表面活性剂显示出高的表面活性。SANS数据显示C 4 mim C 8 SO 4和C 6 mim C 8 SO 4在水中会形成球形和椭圆形的胶束，而具有长链咪唑阳离子（C 8 mim C 8 SO 4和C 10 mim C 8 SO 4）的胶束则表现出有限的水溶性并形成囊泡。使用浊点（CP），1 H-NMR，ζ电位和散射（DLS和DLS ）研究了这些离子液体的添加对非离子表面活性剂Triton X-100（TX-100）溶液的相和聚集行为的影响。SANS）技术。这些C n mim C 8 SO 4离子液体在TX-100水溶液的CP和胶束大小方面
• KCNQ2-5 CHANNEL ACTIVATOR
  申请人：Ono Pharmaceutical Co., Ltd

  公开号：US20170217888A1

  公开（公告）日：2017-08-03

  The present invention relates to a compound represented by the general formula (I) (wherein the definition of each group has the same meaning as described in the specification). The compound is useful as preventive and/or therapeutic agent for KCNQ2-5 channel-related diseases.

  本发明涉及一种由通用式(I)表示的化合物（其中每个基团的定义与规范中描述的含义相同）。该化合物可用作预防和/或治疗KCNQ2-5通道相关疾病的药剂。