2-乙基己酸钆

  • 基本信息
  • 物化性质
  • 安全信息
  • MSDS
  • 结构与计算化学

2-乙基己酸钆 基本信息

中文名称:
2-乙基己酸钆 
中文别名:
2-乙基己酸钆;
Gadolinium 2-ethylhexanoate 
英文名称:
Hexanoic acid,2-ethyl-, gadolinium(3+) salt (3:1)
英文别名:
2-ethylhexanoate,gadolinium(3+);
Hexanoic acid,2-ethyl-,gadolinium(3+) salt;
gadolinium tris(2-ethylhexanoate);
Hexanoic acid,2-ethyl-,gadolinium(3+) salt (3:1) 
CAS No.:
19189-19-6
分 子 式:
C8H16O2.1/3Gd
分 子 量:
586.86
精确分子量:
587.24600
PSA:
120.39000
风险术语:
R11
安全术语:
S9S16S33
分子结构式:
SDS:
查看

2-乙基己酸钆 物化性质

沸点:
228ºC at 760mmHg
闪点:
116.6ºC
蒸汽压:
0.027mmHg at 25°C
其它信息:

1.       性状:不确定

2.       密度(g/mL,25/4):不确定

3.       相对蒸汽密度(g/mL,空气=1):不确定

4.       熔点(ºC):不确定

5.       沸点(ºC,常压):不确定

6.       沸点(ºC, 5.2kPa):不确定

7.       折射率:不确定

8.       闪点(ºC):4 (甲苯)

9.       比旋光度(º):不确定

10.    自燃点或引燃温度(ºC):不确定

11.    蒸气压(kPa,25ºC):不确定

12.    饱和蒸气压(kPa,60ºC):不确定

13.    燃烧热(KJ/mol):不确定

14.    临界温度(ºC):不确定

15.    临界压力(KPa):不确定

16.    油水(辛醇/水)分配系数的对数值:不确定

17.    爆炸上限(%,V/V):不确定

18.    爆炸下限(%,V/V):不确定

19.    溶解性:不确定

2-乙基己酸钆 安全信息

危险类别码:
11
安全说明:
9-16-33
安全标志:
S9:保持容器在一个有良好通风放的场所。
S16:远离火源。
S33:采取防护措施防止静电发生。

2-乙基己酸钆 MSDS


Section 1: Product Identification
   Chemical Name:       Gadolinium (III) 2-ethylhexanoate (approx. 25% in toluene)    
   CAS Registry Number:       19189-19-6    
   Formula:       Gd[OOCCH(C2H5)C4H9]3    
   EINECS Number:       none    
   Chemical Family:       metal carboxylate    
   Synonym:       2-Ethylcaproic acid, Gadolinium salt in methyl benzene    

Section 2: Composition and Information on Ingredients
   Ingredient       CAS Number       Percent       ACGIH (TWA)       OSHA (PEL)    
   Title Compound       19189-19-6       25%       no data       no data    
   toluene       108-88-3       75%       50ppm       300ppm (ceiling    

Section 3: Hazards Identification
   Harmful by inhalation and if swallowed. Irritating to skin, eyes and respiratory tract. May be absorbed through
   Emergency Overview:
   the skin. Possible risk of irreversible effects. May impair fertility.
   Primary Routes of Exposure:       Ingestion, eyes, inhalation, skin    
   Eye Contact:       Causes moderate irritation of the eyes.    
   Skin Contact:       Causes mild irritation of the skin.    
   Harmful by inhalation. Irritating to the nose, mucous membranes and respiratory tract. May cause confusion,
   Inhalation:
   headaches, dizziness, fatigue.
   Ingestion:       Harmful if swallowed. May cause abdominal spasms.    
   Irritating to skin, eyes and respiratory tract. Inhalation or ingestion may lead to fatigue, confusion, headache,
   Acute Health Affects:
   dizziness and drowsiness. High concentrations may cause unconsciousness and death.
   Chronic exposure to toluene include anemia, decreased blood cell count and bone marrow hypoplasia. Liver
   Chronic Health Affects:       and kidney damage may occur. Prolonged contact can cause drying of the skin, redness and dermatitis. May    
   impair fertility. Possible risk of irreversible effects.
   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. Do not induce vomiting as serious lung damage
   Ingestion:
   can result if aspirated.

SECTION 5: Fire Fighting Measures
   Flash Point:       40°F (toluene)    
   Autoignition Temperature:       997°F (toluene)    
   Explosion Limits:       1-7% in air (toluene)    
   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 at elevated temperatures. Formation of explosive air/ vapor mixtures is possible.

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:       viscous liq.    
   Molecular Weight:       586.87    
   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, bases    
   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. Toluene: Oral (human) LDLo: 50 mg/kg;
   RTECS Data:       Inhalation (human) TCLo: 200 ppm; Inhalation (human) TCLo 100 ppm; Oral (rat) LD50: 636 mg/Kg; Inhalation    
   (rat) LC50:49gm/m3/4H; Intraperitoneal (rat) LD50:1332mg/Kg; Oral (rat) TDLo(reproductive): 7280 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:       Toluene (CAS# 108-88-3): listed TSCA: Listed on SARA 313    


SECTION 16 - ADDITIONAL INFORMATION
N/A

2-乙基己酸钆 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:6

4.可旋转化学键数量:12

5.互变异构体数量:无

6.拓扑分子极性表面积120

7.重原子数量:31

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:3

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:4

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产品介绍:
产品名称:2-乙基己酸钆 Cas号:19189-19-6 纯度: 包装信息:洽谈 价格:洽谈
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