2-乙基己酸锌

2-乙基己酸锌 基本信息
CAS号 136-53-8 分子式 C8H16O2.1/2Zn
分子量 353.82574 精确质量  352.15921
PSA  52.60000 LogP  4.41810

基本信息 展开↓

CAS号:
136-53-8
3D弹球模型:
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分子式:
C8H16O2.1/2Zn
分子量:
353.82574
中文名称:
2-乙基己酸锌
英文名称:
Hexanoic acid, 2-ethyl-, zinc salt (2:1)
中文别名:
2-乙基己酸锌;
异辛酸锌
英文别名:
Hexanoic acid, 2-ethyl-, zinc salt (2:1);
Hexanoic acid, 2-ethyl-, zinc salt (8CI,9CI);
2-Ethylhexanoic acid zinc salt;
Bicat 3228;
Bicat 3228M;
Borchi Kat 22;
CXZN 040;
Car Zin 18;
Kat 22;
Manosec Zn 22;
Mark 158;
Mellite 103;
NUSA Zn;
Nikka Octhix Zinc;
Octope Zn;
SRCO 6;
Struktol ZEH;
Struktol ZEH-DL;
Therm-Chek 705;
Zinc 2-ethylcaproate;
Zinc 2-ethylhexanoate;
Zinc 2-ethylhexoate;
Zinc 2-ethylhexylate;
Zinc Hex-Cem;
Zinc bis(2-ethyl hexanoate);
Zinc bis(2-ethylcaproate);
Zinc bis(2-ethylcapronate);
Zinc bis(2-ethylhexoate);
Zinc di(2-ethylhexanoate);
Zinc di(2-ethylhexoate);
Zinc ethylhexanoate;
Zinc octoate;
Zinc α-ethylhexanoate;
Zinc(II) 2-ethylhexanoate
精确分子量/精确质量:
352.15921
极性分子表面积/PSA:
52.60000
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:
MFCD00053316
EINECS:
205-251-1
InChI:
InChI=1/2C8H16O2.Zn/c2*1-3-5-6-7(4-2)8(9)10;/h2*7H,3-6H2,1-2H3,(H,9,10);/q;;+2/p-2

生产制备方法及用途展开↓

合成制备方法


是异辛酸盐与无机酸锌反应的产物。

用途


通常以200号溶剂油作溶剂制成产品,主要用作涂料催干剂,在白漆中使用更具有良好的特性。

物化性质展开↓

密度:
1.07
熔点:
115-117ºC
沸点:
228ºC at 760 mmHg
闪点:
40ºC
折射率:
1.5280 (20ºC)
蒸汽压:
0.027mmHg at 25°C
存储条件/存储方法:

 

其它信息:

性状:为浅黄色液体。溶解性好,透明度好,不皂化物含量低,颜色浅,具有良好的催干性能。

安全信息展开↓

包装等级:
III
危险类别码:
R36/37/38
安全说明:
26-36/37/39
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。
:

MSDS 展开↓


Section 1: Product Identification
   Chemical Name:       Zinc 2-ethylhexanoate, approx.80% in mineral spirits (14-15% Zn)    
   CAS Registry Number:       136-53-8    
   Formula:       Zn[OOCCH(C2H5)C4H9]2    
   EINECS Number:       none    
   Chemical Family:       metal carboxylate    
   Synonym:       2-ethylhexanoic acid, zinc salt, in petroleum spirits, paraffin oil.    

Section 2: Composition and Information on Ingredients
   Ingredient       CAS Number       Percent       ACGIH (TWA)       OSHA (PEL)    
   Title Compound       136-53-8       80%       no data       no data    
   mineral spirits       64475-85-0       20%       no data       no data    

Section 3: Hazards Identification
   Emergency Overview:       Irritating to eyes, skin and respiratory tract, and causes drowsiness. May be harmful if swallowed.    
   Primary Routes of Exposure:       Ingestion, eyes, inhalation, skin    
   Eye Contact:       Causes mild irritation of the eyes.    
   Skin Contact:       Causes slight to mild irritation of the skin.    
   Inhalation:       Vapor is irritating to the nose, mucous membranes and respiratory tract, and cause drowsiness.    
   Ingestion:       Ingestion may cause gastrointestinal distress, dizziness, weakness, and drowsiness.    
   Irritating to skin, eyes and respiratory tract. Mineral spirits entering lungs during vomiting can cause severe
   Acute Health Affects:
   pulmonary injury.
   Chronic Health Affects:       No data available    
   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.
   Seek medical attention immediately. Keep the victim calm. Give the victim water (only if conscious). Do not
   Ingestion:
   induce vomiting unless directed by medical personnel.

SECTION 5: Fire Fighting Measures
   Flash Point:       104 °F    
   Autoignition Temperature:       445 °F (mineral sp    
   Explosion Limits:       0.7-8.9% in air (mineral s    
   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: Flammable material. No unusual fire or explosion hazards.

SECTION 6: Accidental Release Measures
   Eliminate all ignition sources. Small spills may be adsorbed into diatomaceous earth, sand, or other suitable
   Spill and Leak Procedures:
   adsorbent, and swept up.

SECTION 7: Handling and Storage
   Handling and Storage:       Store in a tightly sealed container and store in a cool place. Handle in a well ventilated area.    

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 vapor. 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:       Material may form a vapor. 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:       off-white, viscous liq.    
   Molecular Weight:       351.79    
   Melting Point:       no data    
   Boiling Point:       no data    
   Vapor Pressure:       no data    
   Specific Gravity:       1.07    
   Odor:       organic odor    
   Solubility in Water:       insoluble    

SECTION 10: Stability and Reactivity
   Stability:       air and moisture stable liquid    
   Hazardous Polymerization:       no hazardous polymerization    
   Conditions to Avoid:       Keep away from heat and ignition sources including open flame and electrostatic discharge.    
   Incompatibility:       Oxidizing agents    
   Decomposition Products:       Carbon dioxide, carbon monoxide, organic vapors, and metal oxides and carbonates.    

SECTION 11: Toxicological Information
   No information available in the RTECS files for title compound. For Mineral Spirits: Oral (rat); LD50:>34600
   RTECS Data:       mg/Kg; Inhalation (rat) LC50: >21400 mg/m3/4H; Intraperitoneal (rat) LDLo: 8560 mg/kg; Skin (rabbit)    
   LD50: 15400 mg/kg.
   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 N982 for reporting.    
   Second Ingredient:       Listed in the TSCA inventory    


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


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:4

4.可旋转化学键数量:8

5.互变异构体数量:无

6.拓扑分子极性表面积80.3

7.重原子数量:21

8.表面电荷:0

9.复杂度:93.9

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:2

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:3

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