四正己基苯甲酸铵 | 16436-29-6

• 物质功能分类: 化学试剂 - 有机试剂 - 胺盐（铵盐）
• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 四正己基苯甲酸铵
• 中文别名: 苯甲酸四正己胺；四正己基苯甲酸铵, TECH, CA 85%, WATER C；四正己基苯甲酸铵,TECH,CA85
• 英文名称: tetra-n-hexylammonium benzoate
• 英文别名: THAB；Tetrahexylammonium benzoate；Tetra-n-hexylammoniumbenzoat；tetrahexylazanium;benzoate
• CAS: 16436-29-6
• 化学式: C₇H₅O₂*C₂₄H₅₂N
• 分子量: 475.799
• InChiKey: PSEQWFPWQRZBOO-UHFFFAOYSA-M

物化性质

• 沸点：
  575.47°C (rough estimate)
• 密度：
  1
• 闪点：
  86 °C

计算性质

• 辛醇/水分配系数(LogP)：
  8.17
• 重原子数：
  34
• 可旋转键数：
  20
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.77
• 拓扑面积：
  40.1
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• TSCA：
  Yes
• 危险品标志：
  F,T
• 安全说明：
  S16,S36/37,S45,S7
• 危险类别码：
  R23/24/25,R39/23/24/25,R11
• WGK Germany：
  1
• 海关编码：
  2923900090
• 危险品运输编号：
  UN 1230 3/PG 2

SDS

Name:	Tetrahexylammonium Benzoate Material Safety Data Sheet
Synonym:	N,N,N-Trihexyl-1-Hexanaminium Benzoate
CAS:	16436-29-6

Section 1 - Chemical Product MSDS Name:Tetrahexylammonium Benzoate Material Safety Data Sheet
Synonym:N,N,N-Trihexyl-1-Hexanaminium Benzoate

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
16436-29-6	1-Hexanaminium, N,N,N-Trihexyl-, Benzo	ca 100	240-492-6

Hazard Symbols: None Listed.
Risk Phrases: None Listed.

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
May cause eye irritation. The toxicological properties of this material have not been fully investigated.
Skin:
May cause skin irritation. The toxicological properties of this material have not been fully investigated.
Ingestion:
May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated.
Chronic:
No information found.

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Section 4 - FIRST AID MEASURES
Eyes: 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.
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.
Notes to Physician:

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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. Use water spray to keep fire-exposed containers cool. Combustible liquid.
Vapors may be heavier than air. They can spread along the ground and collect in low or confined areas. Containers may explode when heated.
Extinguishing Media:
Use water spray to cool fire-exposed containers. Use agent most appropriate to extinguish fire. Use water spray, dry chemical, carbon dioxide, or appropriate 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. Scoop up with a nonsparking tool, then place into a suitable container for disposal. Remove all sources of ignition. Provide ventilation.

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Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Avoid contact with eyes, skin, and clothing. Empty containers retain product residue, (liquid and/or vapor), and can be dangerous. Keep container tightly closed. Keep away from heat, sparks and flame. Avoid ingestion and inhalation. Do not pressurize, cut, weld, braze, solder, drill, grind, or expose empty containers to heat, sparks or open flames.
Storage:
Keep away from heat, sparks, and flame. Keep away from sources of ignition. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

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Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 16436-29-6: 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.

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Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Liquid
Color: colorless
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: 86 deg C ( 186.80 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density: 1.0010g/cm3
Molecular Formula: C31H57NO2
Molecular Weight: 475.79

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, ignition sources, excess heat, strong oxidants.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, oxides of nitrogen, irritating and toxic fumes and gases, carbon dioxide.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 16436-29-6 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
1-Hexanaminium, N,N,N-Trihexyl-, Benzoate - 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: Not available.
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
S 28A After contact with skin, wash immediately with
plenty of water.
S 37 Wear suitable gloves.
S 45 In case of accident or if you feel unwell, seek
medical advice immediately (show the label where
possible).
WGK (Water Danger/Protection)
CAS# 16436-29-6: No information available.
Canada
CAS# 16436-29-6 is listed on Canada's NDSL List.
CAS# 16436-29-6 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 16436-29-6 is listed on the TSCA inventory.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  n-octyl methanesulfonate 、 四正己基苯甲酸铵 以 sodium hydroxide 、 氯苯 为溶剂， 生成 苯甲酸辛酯 、 N,N,N-Trihexylhexan-1-aminium methanesulfonate
  参考文献：
  名称：

  Landini, Dario; Maia, Angelamaria; Rampoldi, Alessandro, Gazzetta Chimica Italiana, 1989, vol. 119, # 10, p. 513 - 518

  摘要：

  DOI：
• 作为试剂：
  描述：

  Carbonic acid methyl ester (1S,4S,5R,6R)-4,5,6-tris-methoxycarbonyloxy-cyclohex-2-enyl ester 、 三甲基乙酸 在 bis(η3-allyl-μ-chloropalladium(II)) 、 (R,R)-[1,2-bis(NHCO-C₆H₄-p-PPh₂)] 、 四正己基苯甲酸铵 作用下， 以 二氯甲烷 为溶剂， 以64%的产率得到2,2-Dimethyl-propionic acid (1R,4R,5S,6S)-4-(2,2-dimethyl-propionyloxy)-5,6-bis-methoxycarbonyloxy-cyclohex-2-enyl ester
  参考文献：
  名称：

  Dynamic Kinetic Asymmetric Transformations of Conduritol B Tetracarboxylates:  An Asymmetric Synthesis of d-myo-Inositol 1,4,5-Trisphosphate

  摘要：

  DOI：

  10.1021/ja992960v

文献信息

• Process for the preparation of an indole derivative
  申请人：F. Hoffmann-La Roche AG

  公开号：EP2011783A1

  公开（公告）日：2009-01-07

  A process for the preparation of indole derivatives of formula (I): which are useful as intermediates in the preparation of i.a. pharmaceutically active compounds.

  一种制备式(I)吲哚衍生物的方法：这些衍生物在制备具有药用活性的化合物中起中间体作用。
• CURING ACCELERATING COMPOUND-SILICA COMPOSITE MATERIAL, METHOD FOR PRODUCING CURING ACCELERATING COMPOUND-SILICA COMPOSITE MATERIAL, CURING ACCELERATOR, CURABLE RESIN COMPOSITION, AND ELECTRONIC COMPONENT DEVICE
  申请人：Nakamura Shinya

  公开号：US20090062460A1

  公开（公告）日：2009-03-05

  The present invention relates to a curing accelerating compound-silica composite material capable of giving excellent storage stability to a curable resin composition, which is obtained by subjecting one or more compounds selected from compounds represented by the general formula (I-1) below and partial condensates thereof to a sol-gel reaction in the presence of a curing accelerating compound and water; a curable resin composition comprising the same; and an electronic component device comprising a device sealed with the curable resin composition. R 1 n SiR 2 (4-n) (I-1) wherein n is 0 or 1; R 1 is selected from a hydrogen atom and a C1 to C18 substituted or unsubstituted hydrocarbon group and may form a ring structure with R 2 ; R 2 s represent a functional group reactive with a phenolic hydroxyl group, are selected independently from a halogen atom, a hydroxyl group, a C1 to C18 optionally substituted oxy group, a C0 to C18 optionally substituted amino group, and a C2 to C18 optionally substituted carbonyloxy group, all R 2 s may be the same or different from one another, and two or more R 2 s may be bound to each other to form a ring structure.

  本发明涉及一种固化促进剂-二氧化硅复合材料，能够为可固化树脂组分提供优异的储存稳定性。所述复合材料通过在固化促进剂和水的存在下，将下式（I-1）所表示的化合物之一或多个部分缩聚物进行溶胶-凝胶反应而获得；所述化合物如下：R1nSiR2(4-n)(I-1)，其中n为0或1；R1为氢原子和C1到C18取代或未取代的烃基，也可以与R2形成环状结构；R2表示与酚羟基反应的官能团，可独立选择自卤素原子、羟基、C1到C18可选取代的氧基团、C0到C18可选取代的氨基团和C2到C18可选取代的羰基氧基团，所有R2可以相同也可以不同，两个或更多的R2可以结合在一起形成环状结构。本发明还涉及一种包含该复合材料的可固化树脂组分，以及一种包括用该可固化树脂组分封装的电子元器件装置。
• PROCESS FOR THE PREPARATION OF INDOLE DERIVATIVES
  申请人：Bachmann Stephan

  公开号：US20090012311A1

  公开（公告）日：2009-01-08

  A process for the preparation of indole derivatives of formula (I): which are useful as intermediates in the preparation of pharmaceutically active compounds.

  一种制备式(I)的吲哚衍生物的方法，该衍生物在制备药物活性化合物的中间体中有用。
• N,N'-DIARYLUREA COMPOUNDS AND N,N'-DIARYLTHIOUREA COMPOUNDS AS INHIBITORS OF TRANSLATION INITIATION
  申请人：Aktas Bertal Huseyin

  公开号：US20120115915A1

  公开（公告）日：2012-05-10

  Compositions and methods for inhibiting translation initiation are provided. Compositions, methods and kits for treating (1) cellular proliferative disorders, (2) non-proliferative, degenerative disorders, (3) viral infections, and/or (4) disorders associated with viral infections, using N,N′-diarylureas and/or N,N′-diarylthiourea compounds are described.

  本文提供了抑制翻译起始的组合物和方法。描述了使用N，N'-二芳基脲和/或N，N'-二芳基硫脲化合物治疗（1）细胞增生性疾病，（2）非增生性退行性疾病，（3）病毒感染和/或（4）与病毒感染相关的疾病的组合物、方法和试剂盒。
• Process for the manufacture of derivatives of benzoic acid
  申请人：GADOT PETROCHEMICAL INDUSTRIES LTD.

  公开号：EP0300922A1

  公开（公告）日：1989-01-25

  A process for the manufacture of benzoic acid derivatives is described. The process is based on the reaction of a toluene derivative in a liquid phase oxidation with an oxygen containing gas in the presence of a phase-transfer catalyst (a), a transition metal salt (b) and traces of a polar solvent, such as water, the molar ratio between (a) and (b) being in the range of between 0.25:1 to 1.5:1. The phase-transfer catalyst is selected from quaternary ammonium and phosphonium salts, having a total carbon atoms in the range of 17 to 58, the anion bound thereto being selected from Br⁻, F⁻, Cl⁻, OH⁻, CH₃COO⁻ or HSO₄⁻. The benzoic acid derivatives produced are characterized by their very high purity and high conversion reaching generally values of above 95%.

  描述了一种制造苯甲酸衍生物的工艺。该工艺基于甲苯衍生物在相转移催化剂（a）、过渡金属盐（b）和微量极性溶剂（如水）存在下与含氧气体的液相氧化反应，(a)和(b)之间的摩尔比在 0.25:1 至 1.5:1 之间。相转移催化剂选自季铵盐和鏻盐，其总碳原子数在 17 至 58 之间，与之结合的阴离子选自 Br-、F-、Cl-、OH-、CH₃COO- 或 HSO₄-。生产出的苯甲酸衍生物具有纯度高、转化率高的特点，一般可达到 95% 以上。