2-乙基己酸铜(II)

2-乙基己酸铜(II) 基本信息
CAS号 149-11-1 分子式 C8H16CuO2++
分子量 207.75700 精确质量  207.04500
PSA  37.30000 LogP  2.28490

基本信息 展开↓

CAS号:
149-11-1
分子式:
C8H16CuO2++
分子量:
207.75700
中文名称:
2-乙基己酸铜(II)
英文名称:
Cupric 2-ethylhexanoate
中文别名:
2-乙基己酸铜(II);
二乙基己酸铜(II)
英文别名:
Cupric 2-ethylhexanoate;
Copper (II)-2 ethylhexanote;
COPPER(II) 2-ETHYLHEXANOATE;
Copper isocaprylate;
Copper(II) octoate;
Copper bis(2-ethylhexanoate);
Copper(II) 2-ethylhexanoate,16-Cu;
Hexanoic acid,2-ethyl-,copper(2++) salt;
COPPER 2-ETHYLHEXANOATE;
Bis(2-ethylhexanoic acid)copper(II) salt
精确分子量/精确质量:
207.04500
极性分子表面积/PSA:
37.30000
油水分配系数/LogP:

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值,反映了物质在油水两相中的分配情况。其中、LogP值越大,说明该物质越亲油;反之,LogP值越小,则说明该物质越亲水。
贝尔斯坦号/MDL:
MFCD00015695
EINECS:
205-731-0
PubChem:
24860474
InChI:
InChI=1/C8H16O2.Cu/c1-3-5-6-7(4-2)8(9)10;/h7H,3-6H2,1-2H3,(H,9,10);

生产制备方法及用途展开↓

用途


涂料,防腐剂,电缆防水剂,聚酯树脂抑制剂。

物化性质展开↓

外观与性状:
蓝色至绿色液体
熔点:
252ºC
闪点:
116.6ºC
存储条件/存储方法:

密封于干燥阴凉处保存。

稳定性相关:

常温常压下稳定。

其它信息:

一、物性数据:

1.     性状:蓝色粉末

2.     熔点(ºC):252ºC

安全信息展开↓

危险类别码:
R36/37/38
安全说明:
S26-S37/39
安全标志:
S26:万一接触眼睛,立即使用大量清水冲洗并送医诊治。
:
危险标志:
Xi:Irritant;

毒理性展开↓

生态数据:

三、生态学数据:

其它有害作用:该物质对环境可能有危害,对水体应给予特别注意。

MSDS 展开↓


Section 1: Product Identification
   Chemical Name:       Copper (II) 2-ethylhexanoate (solvent free - 16-19% Cu)    
   CAS Registry Number:       149-11-1    
   Formula:       Cu[OOCCH(C2H5)C4H9]2    
   EINECS Number:       205-731-0    
   Chemical Family:       metal carboxylate    
   Synonym:       copper-2-ethylcaproate, 2-ethylcaproic acid, copper salt.    

Section 2: Composition and Information on Ingredients
   Ingredient       CAS Number       Percent       ACGIH (TWA)       OSHA (PEL)    
   Title Compound       149-11-1       100%       no data       no data    

Section 3: Hazards Identification
   Emergency Overview:       Irritating to the respiratory tract, skin and eyes. May be harmful if swallowed.    
   Primary Routes of Exposure:       Ingestion    
   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:       Ingestion may lead to dizziness, abdominal cramps, vomiting, bloody diarrhea, weakness, and convulsions.    
   Irritating to skin, eyes and respiratory tract. Ingestion of large amounts of copper salts can cause vomiting,
   Acute Health Affects:
   dizziness, exhaustion, coma, and death.
   Chronic Health Affects:       Ingestion or inhalation of copper compounds may cause liver and kidney disease.    
   NTP:       No    
   IARC:       No    
   OSHA:       No    

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 soap and water. Remove contaminated clothes if necessary. Seek medical
   Skin Exposure:
   assistance if 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.
   Ingestion:       Seek medical attention immediately. Keep the victim calm. Give the victim water (only if conscious).    

SECTION 5: Fire Fighting Measures
   Flash Point:       not applicable    
   Autoignition Temperature:       none    
   Explosion Limits:       none    
   Extinguishing Medium:       carbon dioxide, dry powder or foam    
   If involved in a fire, fire fighters should be equipped with a NIOSH approved positive pressure self-contained
   Special Fire Fighting Procedures:
   breathing apparatus 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.

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

SECTION 7: Handling and Storage
   Handling and Storage:       Store in a sealed container. Keep away from heat and moisture.    

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 appropriate chemical resistant gloves and protective clothing.    
   Ventilation:       Material may form a fine dust. If possible, handle the material in an efficient fume hood.    
   If in form of fine dust and ventilation is not available a respirator should be worn. The use of respirators
   Respirator:
   requires a Respirator Protection Program to be in compliance with 29 CFR 1910.134.
   Ventilation:       Material may form a fine dust. If possible, handle the material in an efficient fume hood.    
   Additional Protection:       No additional protection required.    

SECTION 9: Physical and Chemical Properties
   Color and Form:       blue pwdr.    
   Molecular Weight:       349.96    
   Melting Point:       no data    
   Boiling Point:       no data    
   Vapor Pressure:       no data    
   Specific Gravity:       no data    
   Odor:       none    
   Solubility in Water:       insoluble    

SECTION 10: Stability and Reactivity
   Stability:       air and moisture stable solid    
   Hazardous Polymerization:       no hazardous polymerization    
   Conditions to Avoid:       none    
   Incompatibility:       Oxidizing agents    
   Decomposition Products:       Carbon dioxide, carbon monoxide, organic vapors, and metal oxides and carbonates.    

SECTION 11: Toxicological Information
   RTECS Data:       No specific information available on this product.    
   Carcinogenic Effects:       No data available    
   Mutagenic Effects:       No data available    
   Tetratogenic Effects:       No data available    

SECTION 12: Ecological Information
   Ecological Information:       No information available    

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

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    

SECTION 15: Regulatory Information
   TSCA:       Listed in the TSCA inventory.    
   SARA (Title 313):       Title Compound: See Category Code N100 for reporting.    
   Second Ingredient:       none    


SECTION 16 - ADDITIONAL INFORMATION
N/A

分子结构与计算化学数据展开↓

计算化学数据


四、计算化学数据:

1、  疏水参数计算参考值(XlogP):2.6

2、  氢键供体数量:1

3、  氢键受体数量:2

4、  可旋转化学键数量:5

5、  拓扑分子极性表面积(TPSA):37.3

6、  重原子数量:10

7、  表面电荷:0

8、  复杂度:99.4

9、  同位素原子数量:0

10、  确定原子立构中心数量:1

11、  不确定原子立构中心数量:0

12、  确定化学键立构中心数量:0

13、  不确定化学键立构中心数量:0

14、  共价键单元数量:1

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