异辛酸锆

  • 基本信息
  • 制备方法及用途
  • 物化性质
  • 安全信息
  • 毒理性
  • MSDS
  • 结构与计算化学

异辛酸锆 基本信息

中文名称:
异辛酸锆 
中文别名:
异辛酸锆;
2-乙基己酸锆 
英文名称:
Hexanoicacid, 2-ethyl-, zirconium salt (1:?)
英文别名:
2-ethylhexanoate,zirconium(2+);
Hexanoic acid,2-ethyl-,zirconium salt 
CAS No.:
22464-99-9
分 子 式:
C8H16O2.xZr
分 子 量:
393.63
精确分子量:
662.33400
PSA:
105.20000
EINECS:
245-018-1
InChI:
InChI=1/2C8H16O2.Zr/c2*1-3-5-6-7(4-2)8(9)10;/h2*7H,3-6H2,1-2H3,(H,9,10);/q;;+2/p-2
风险术语:
R36/37/38
安全术语:
S26S36
分子结构式:
SDS:
查看

异辛酸锆 制备方法及用途

制备方法

用作油墨催干剂及塑料增塑剂

合成制备方法


用途简介

用途

用作油墨催干剂及塑料增塑剂

异辛酸锆 物化性质

密度:
1,27 g/cm3
闪点:
65°C
存储条件/存储方法:


稳定性相关:


其它信息:

1. 性状:未确定

2. 密度(g/mL,25/4):1.27

3. 相对蒸汽密度(g/mL,空气=1未确定

4. 熔点(ºC):未确定

5. 沸点(ºC,常压):未确定

6. 沸点(ºC,5.2kPa): 未确定

7. 折射率: 未确定

8. 闪点(ºC): 65

9. 比旋光度(º): 未确定

10. 自燃点或引燃温度(ºC): 未确定

11. 蒸气压(kPa,25ºC): 未确定

12. 饱和蒸气压(kPa,60ºC): 未确定

13. 燃烧热(KJ/mol):未确定

14. 临界温度(ºC): 未确定

15. 临界压力(KPa): 未确定

16. 油水(辛醇/水)分配系数的对数值: 未确定

17. 爆炸上限(%,V/V):未确定

18. 爆炸下限(%,V/V): 未确定

19. 溶解性:未确定


异辛酸锆 安全信息

包装等级:
III
风险类别:
3
危险类别码:
R36/37/38
安全说明:
S26-S36
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。
S36:穿戴合适的防护服装。

异辛酸锆 毒理性

毒理学数据:


生态数据:


异辛酸锆 MSDS


Section 1: Product Identification
   Chemical Name:       Zirconyl 2-ethylhexanoate in mineral spirits (approx. 6% Zr)    
   CAS Registry Number:       22464-99-9    
   Formula:       Zr[OOCCH(C2H5)C4H9]4    
   EINECS Number:       none    
   Chemical Family:       metal carboxylate    
   Synonym:       2-ethylhexanoic acid, zirconium salt, in petroleum spirits, paraffin oil.    

Section 2: Composition and Information on Ingredients
   Ingredient       CAS Number       Percent       ACGIH (TWA)       OSHA (PEL)    
   Title Compound       22464-99-9       20%       5mg/m3 (as Zr)       5mg/m3 (as Zr)    
   mineral spirits       64475-85-0       80%       no data       no data    

Section 3: Hazards Identification
   Emergency Overview:       Irritating to skin, eyes and respiratory tract. May be harmful if swallowed or inhaled.    
   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.    
   Acute Health Affects:       Irritating to skin, eyes and respiratory tract.    
   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 spi    
   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:       liq.    
   Molecular Weight:       not applicable    
   Melting Point:       no data    
   Boiling Point:       no data    
   Vapor Pressure:       no data    
   Specific Gravity:       no data    
   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):       Flammable liquids, N.O.S.    
   Hazard Class (CFR):       3    
   Additional Hazard Class (CFR):       NA    
   Packaging Group (CFR):       III    
   UN ID Number (CFR):       UN# 1993    
   Shipping Name (IATA):       Flammable liquid, N.O.S.    
   Hazard Class (IATA):       3    
   Additional Hazard Class (IATA):       NA    
   Packaging Group (IATA):       III    
   UN ID Number (IATA):       UN# 1993    

SECTION 15: Regulatory Information
   TSCA:       Listed in the TSCA inventory.    
   SARA (Title 313):       Title compound not listed.    
   Second Ingredient:       Listed in the TSCA inventory    


SECTION 16 - ADDITIONAL INFORMATION
N/A

异辛酸锆 分子结构与计算化学数据

分子结构数据


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: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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