5137-55-3

• 常用中文名：甲基三辛基氯化铵
• 常用英文名：trioctylmethylammonium chloride
• CAS号：5137-55-3
• 分子式：C₂₅H₅₄ClN
• 分子量：404.156
• 相关类别： 表面活性剂 阳离子表面活性剂 季铵盐型
• 发布时间：2018-07-21 14:30:10
• 更新时间：2024-01-02 17:31:36
• 【用途一】
  相转移试剂

名称

• 中文名: 甲基三辛基氯化铵
• 英文名: methyltrioctylammonium chloride
• 中文别名: 甲基三正辛基氯化铵; 氯化三辛基甲基铵; 三辛基甲基氯化铵; 三辛基甲基氯化铵; 氯化甲基三辛基铵; 三正辛基甲基氯化铵; 三辛基甲基氯化鋁
• 英文别名: 1-Octanaminium, N-methyl-N,N-dioctyl-, chloride (1:1); CAPRIQUAT; N-Methyl-N,N-dioctyloctan-1-aminium chloride; tri-n-octylmethylammonium chloride; ALIQUAT 336; Methyl trioctyl ammonium chloride; tricaprylylmethylammonium chloride; ALIQUAT(TM) 336; MFCD00011862; methyltri(n-octyl)ammonium chloride; TOMAC; N-Methyl-N,N-dioctyl-1-octanaminium chloride; aliquat; Aliquat.(R). 336; Aliquat(rg 336; Trioctyl methyl ammonium chloride; ADOGEN 464; Methyltri-n-octylaMMoniuM Chloride; methyltri-C8,10-ammonium chloride; EINECS 225-896-2; trioctylmethylammonium chloride; Methyltrioctylammonium chloride; Aliquat 336N

物化性质

• 密度: 0.884 g/mL at 25 °C(lit.)
• 沸点: 240°C
• 熔点: -20°C
• 分子式: C₂₅H₅₄ClN
• 分子量: 404.156
• 闪点: >230 °F
• 精确质量: 403.394470
• LogP: 5.51850
• 外观性状: 黏的无色至淡橙色液体
• 折射率: n20/D 1.4665(lit.)
• 储存条件:

  避光，阴凉干燥处，密封保存

• 稳定性:

  1.常温常压下稳定，前橘黄色液体。

  2.有刺激性。

• 水溶解性: 水溶性：实际上不溶；水溶解度：6 g/l 30 °C；可溶于：甲醇,苯,氯仿
• 计算化学:

  1.疏水参数计算参考值（XlogP）:无

  2.氢键供体数量:0

  3.氢键受体数量:1

  4.可旋转化学键数量:21

  5.互变异构体数量:无

  6.拓扑分子极性表面积0

  7.重原子数量:27

  8.表面电荷:0

  9.复杂度:220

  10.同位素原子数量:0

  11.确定原子立构中心数量:0

  12.不确定原子立构中心数量:0

  13.确定化学键立构中心数量:0

  14.不确定化学键立构中心数量:0

  15.共价键单元数量:2

• 更多:

  1. 性状：黄色粘状液体

  2. 密度：0.884

  3. 相对蒸汽密度（g/mL,空气=1）：不确定

  4. 熔点（ºC）：-20

  5. 沸点（ºC,常压）：不确定

  6. 沸点（ºC,25mmHg）：不确定

  7. 折光率（nD20）：不确定

  8. 闪点（°C）：132

  9. 比旋光度（º, C=1, EtOH）：不确定

  10. 自燃点或引燃温度（ºC）：不确定

  11. 蒸气压（kPa,25ºC）：不确定

  12. 饱和蒸气压（kPa,60ºC）：不确定

  13. 燃烧热（KJ/mol）：不确定

  14. 临界温度（ºC）：不确定

  15. 临界压力（KPa）：不确定

  16. 油水（辛醇/水）分配系数的对数值：不确定

  17. 爆炸上限（%,V/V）：不确定

  18. 爆炸下限（%,V/V）：不确定

  19. 溶解性：不确定

MSDS

Name: Aliquat 336 Material Safety Data Sheet Synonym: Methyltrioctylammonium chloride, Tricaprylylmethylammonium chloride; n-methyl-n,n-dioctyl-1-octanaminium chlorid CAS: 5137-55-3 Section 1 - Chemical Product MSDS Name:Aliquat 336 Material Safety Data Sheet Synonym:Methyltrioctylammonium chloride, Tricaprylylmethylammonium chloride; n-methyl-n,n-dioctyl-1-octanaminium chlorid Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 5137-55-3 Methyl tricaprylammonium chloride 85-95 225-896-2 Hazard Symbols: XN Risk Phrases: 22 36/38 41 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Harmful if swallowed. Irritating to eyes and skin. Risk of serious damage to eyes.Hygroscopic (absorbs moisture from the air).Toxic. Potential Health Effects Eye: May result in corneal injury. Causes severe eye irritation and possible burns. Skin: May cause severe irritation and possible burns. Ingestion: Harmful if swallowed. May cause severe gastrointestinal tract irritation with nausea, vomiting and possible burns. Inhalation: May cause severe respiratory tract irritation and possible burns. Harmful if inhaled. Chronic: Prolonged or repeated skin contact may cause dermatitis. Section 4 - FIRST AID MEASURES Eyes: Get medical aid immediately. Do NOT allow victim to rub eyes or keep eyes closed. Extensive irrigation with water is required (at least 30 minutes). Skin: Get medical aid immediately. Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse. Destroy contaminated shoes. Ingestion: Do not induce vomiting. If victim is conscious and alert, give 2-4 cupfuls of milk or water. Never give anything by mouth to an unconscious person. Get medical aid immediately. Wash mouth out with water. Inhalation: Get medical aid immediately. Remove from exposure and move to fresh air immediately. If breathing is difficult, give oxygen. Do NOT use mouth-to-mouth resuscitation. If breathing has ceased apply artificial respiration using oxygen and a suitable mechanical device such as a bag and a mask. Notes to Physician: Antidote: None reported. 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. Will burn if involved in a fire. Vapors may be heavier than air. They can spread along the ground and collect in low or confined areas. Runoff from fire control or dilution water may cause pollution. This liquid floats on water and may travel to a source of ignition and spread fire. Extinguishing Media: Use water spray, dry chemical, carbon dioxide, or chemical foam. 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. Flush area with dilute (5%) acetic acid, and collect rinsate for disposal. Section 7 - HANDLING and STORAGE Handling: Wash thoroughly after handling. Do not get in eyes, on skin, or on clothing. Keep container tightly closed. Do not ingest or inhale. Use with adequate ventilation. Use only in a chemical fume hood. Discard contaminated shoes. Storage: Keep away from sources of ignition. Keep container closed when not in use. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Store protected from moisture. 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# 5137-55-3: CAS# 7732-18-5: CAS# 68603-15-6: 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. Section 9 - PHYSICAL AND CHEMICAL PROPERTIES Physical State: Liquid Color: viscous colorless to pale orange Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: 1500 mPas 30 deg C Boiling Point: 225 deg C @ 760.00mm Hg Freezing/Melting Point: -20 deg C Autoignition Temperature: Not available. Flash Point: 132 deg C ( 269.60 deg F) Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Solubility in water: soluble in benzene, chloroform, isopropa Specific Gravity/Density: .8840g/cm3 Molecular Formula: C25H54ClN Molecular Weight: 404.15 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable under normal temperatures and pressures. 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: Will not occur. Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 5137-55-3: BR8575000 CAS# 7732-18-5: ZC0110000 CAS# 68603-15-6: AZ0878000 LD50/LC50: CAS# 5137-55-3: Draize test, rabbit, skin: 0.5 mL Severe; Oral, mouse: LD50 = 280 mg/kg; Oral, rat: LD50 = 223 mg/kg. CAS# 7732-18-5: Oral, rat: LD50 = >90 mL/kg. CAS# 68603-15-6. Carcinogenicity: Methyl tricaprylammonium chloride - Not listed by ACGIH, IARC, or NTP. Water - Not listed by ACGIH, IARC, or NTP. Alcohols, c6-12 - Not listed by ACGIH, IARC, or NTP. Other: See actual entry in RTECS for complete information. Section 12 - ECOLOGICAL INFORMATION Section 13 - DISPOSAL CONSIDERATIONS Dispose of in a manner consistent with federal, state, and local regulations. Section 14 - TRANSPORT INFORMATION IATA Shipping Name: TOXIC LIQUID, ORGANIC, N.O.S.* Hazard Class: 6.1 UN Number: 2810 Packing Group: III IMO Shipping Name: TOXIC LIQUID, ORGANIC, N.O.S. Hazard Class: 6.1 UN Number: 2810 Packing Group: III RID/ADR Shipping Name: TOXIC LIQUID, ORGANIC, N.O.S. Hazard Class: 6.1 UN Number: 2810 Packing group: III Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: XN Risk Phrases: R 22 Harmful if swallowed. R 36/38 Irritating to eyes and skin. R 41 Risk of serious damage to eyes. 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# 5137-55-3: 2 CAS# 7732-18-5: No information available. CAS# 68603-15-6: 1 Canada CAS# 5137-55-3 is listed on Canada's DSL List. CAS# 7732-18-5 is listed on Canada's DSL List. CAS# 68603-15-6 is listed on Canada's DSL List. CAS# 5137-55-3 is not listed on Canada's Ingredient Disclosure List. CAS# 7732-18-5 is not listed on Canada's Ingredient Disclosure List. CAS# 68603-15-6 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 5137-55-3 is listed on the TSCA inventory. CAS# 7732-18-5 is listed on the TSCA inventory. CAS# 68603-15-6 is listed on the TSCA inventory. SECTION 16 - ADDITIONAL INFORMATION N/A

毒性和生态

毒理学数据: 1、急性毒性：大鼠口径LD50：223 mg/kg；大鼠腹腔LD50：6600 ug/kg；小鼠口径LD50：280 mg/kg； 兔子腹腔LDLo：10 mg/kg；豚鼠腹腔LDLo：10 mg/kg 2、 皮肤/眼睛刺激：兔子皮肤标准Draize测试：0.5 mLREACTION SEVERITY : Severe 生态学数据: 该物质对环境可能有危害，对水体应给予特别注意 CHEMICAL IDENTIFICATION RTECS NUMBER : BR8575000 CHEMICAL NAME : Ammonium, methyltrioctyl-, chloride CAS REGISTRY NUMBER : 5137-55-3 LAST UPDATED : 199710 DATA ITEMS CITED : 10 MOLECULAR FORMULA : C25-H54-N.Cl MOLECULAR WEIGHT : 404.25 WISWESSER LINE NOTATION : 8K8&8&1 &G HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : Standard Draize test ROUTE OF EXPOSURE : Administration onto the skin SPECIES OBSERVED : Rodent - rabbit REFERENCE : AEHA** U.S. Army, Environmental Hygiene Agency Reports. (Edgewood Arsenal, MD 21010) Volume(issue)/page/year: 33-3-68/1971 ** ACUTE TOXICITY DATA ** TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 223 mg/kg TOXIC EFFECTS : Gastrointestinal - hypermotility, diarrhea Lungs, Thorax, or Respiration - respiratory depression REFERENCE : AEHA** U.S. Army, Environmental Hygiene Agency Reports. (Edgewood Arsenal, MD 21010) Volume(issue)/page/year: 33-3-68/1971 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 6600 ug/kg TOXIC EFFECTS : Behavioral - muscle weakness REFERENCE : AEHA** U.S. Army, Environmental Hygiene Agency Reports. (Edgewood Arsenal, MD 21010) Volume(issue)/page/year: 33-3-68/1971 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 280 mg/kg TOXIC EFFECTS : Behavioral - muscle weakness REFERENCE : AEHA** U.S. Army, Environmental Hygiene Agency Reports. (Edgewood Arsenal, MD 21010) Volume(issue)/page/year: 33-3-68/1971 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 3300 ug/kg TOXIC EFFECTS : Behavioral - muscle weakness REFERENCE : AEHA** U.S. Army, Environmental Hygiene Agency Reports. (Edgewood Arsenal, MD 21010) Volume(issue)/page/year: 33-3-68/1971 TYPE OF TEST : LDLo - Lowest published lethal dose ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - rabbit DOSE/DURATION : 10 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : AEHA** U.S. Army, Environmental Hygiene Agency Reports. (Edgewood Arsenal, MD 21010) Volume(issue)/page/year: 33-3-68/1971 TYPE OF TEST : LDLo - Lowest published lethal dose ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - guinea pig DOSE/DURATION : 10 mg/kg TOXIC EFFECTS : Behavioral - muscle weakness REFERENCE : AEHA** U.S. Army, Environmental Hygiene Agency Reports. (Edgewood Arsenal, MD 21010) Volume(issue)/page/year: 33-3-68/1971 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X7902 No. of Facilities: 10 (estimated) No. of Industries: 2 No. of Occupations: 2 No. of Employees: 10 (estimated) No. of Female Employees: 7 (estimated)

安全

• 危害码 (欧洲): Xn:Harmful
• 风险声明 (欧洲): R22;R38;R41;R50/53
• 安全声明 (欧洲): S26-S39-S60-S61
• 危险品运输编码: UN 2810 6.1/PG 3
• WGK德国: 3
• RTECS号: UZ2997500
• 包装等级: III
• 危险类别: 6.1
• 海关编码: 2827101000

合成路线

1116-76-3 77-78-1 ~99% 5137-55-3

文献：Paganelli, Stefano; Perosa, Alvise; Selva, Maurizio Advanced Synthesis and Catalysis, 2007 , vol. 349, # 11-12 p. 1858 - 1862

111-85-3 119409-25-5 ~% 463-11-6 5137-55-3

文献：Dermeik, Salman; Sasson, Yoel Journal of Organic Chemistry, 1985 , vol. 50, # 6 p. 879 - 882

上下游产品

上游产品  3
1116-76-3 77-78-1 111-85-3
下游产品  10
350-30-1 27738-46-1 28657-80-9 7473-98-5
5466-77-3 53179-78-5 1002-69-3 70091-21-3
70091-23-5 7195-44-0

制备

1.高压釜法
将396克(1摩尔)N235和300毫升乙醇混和于高压釜内，釜体用于冰一丙酮冷却。然后倒入2摩尔氯甲烷(预先冷冻液化，收集在锥形瓶内)，立即关闭高压釜，搅拌并加热至100在<10公斤/厘米2的压力下反应4一5小时后，冷至室温，放出残余的氯甲烷。然后真空蒸馏除去乙醇，即得棕色产物，约重430克(95一100%)。
2.常压法
将100毫升询52克，0.2摩尔)N235和与N236的体积比为1.5:1的异辛醇置于管式反应器中，在150毫升/分的流量下通入氯甲烷约20分钟。然后加热至130℃。以微小气泡的流速通入氯甲烷，反应5一7小时。冷却，将反应物转移至液膜蒸发器中，在120-130℃/3一5mm真空蒸馏蒸去溶剂即得产品。转化率为60-70%.

海关

海关编码	2923900090
中文概述	2923900090 其他季铵盐及季铵碱。监管条件:无。增值税率:17.0%。退税率:9.0%。最惠国关税:6.5%。普通关税:30.0%
申报要素	品名, 成分含量, 用途
Summary	2923900090 other quaternary ammonium salts and hydroxides。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:30.0%