四正己基苯甲酸铵

  • 基本信息
  • 物化性质
  • 安全信息
  • MSDS
  • 海关数据
  • 结构与计算化学
  • 下游产品

四正己基苯甲酸铵 基本信息

中文名称:
四正己基苯甲酸铵 
中文别名:
四正己基苯甲酸铵;
苯甲酸四正己胺 
英文名称:
tetrahexylammonium benzoate
英文别名:
tetrahexylazanium,benzoate;
Tetrahexylammonium benzoate solution;
Tetra-n-hexylammoniumbenzoat;
Ammonium,benzoate;
tetra-n-hexylammonium benzoate;
THAB;
1-Hexanaminium,N,N,N-trihexyl-,benzoate;
tetrahexylazanium benzoate;
tetrahexylammonium benzoate 
CAS No.:
16436-29-6
分 子 式:
C24H52N.C7H5O2
分 子 量:
475.79
精确分子量:
475.43900
PSA:
40.13000
MDL:
MFCD00041982
EINECS:
240-492-6
BRN:
4084122
InChI:
The Key: PSEQWFPWQRZBOO-UHFFFAOYSA-M
危险品标志:
ToxicTFlammableF
风险术语:
R11;R23/24/25;R39;R/23/24/25;
安全术语:
S7;S16;S45;S36/37;
分子结构式:
SDS:
查看

四正己基苯甲酸铵 物化性质

密度:
1
闪点:
86ºC
折射率:
1.478-1.48
其它信息:

1. 性状:未确定

2. 密度(g/mL,25/4):1

四正己基苯甲酸铵 安全信息

海关代码:
2923900090
危险类别码:
11-23/24/25-39/23/24/25
安全说明:
7-16-36/37-45
安全标志:
S7:保持容器紧密封闭。
S16:远离火源。
S45:出现意外或者感到不适,立刻到医生那里寻求帮助(最好带去产品容器标签)。
:
危险标志:
F: Flammable;T: Toxic;

四正己基苯甲酸铵 MSDS

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

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.

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.

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:

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.

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.

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.

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.

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

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

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.

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

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.


SECTION 16 - ADDITIONAL INFORMATION
N/A

四正己基苯甲酸铵 海关数据

中国海关编码:2923900090

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
摘要/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%

四正己基苯甲酸铵 分子结构与计算化学数据

计算化学数据

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:2

4.可旋转化学键数量:20

5.互变异构体数量:无

6.拓扑分子极性表面积40.1

7.重原子数量:34

8.表面电荷:0

9.复杂度:293

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

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