环烷酸钙

环烷酸钙 基本信息
CAS号 61789-36-4 分子式 C22H14CaO4
分子量 382.42200 精确质量 　382.05200
PSA 　80.26000 LogP 　2.40660
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目录
基本信息 制备方法与用途 物化性质 安全信息 毒性 MSDS 结构与计算数据

基本信息 展开↓

CAS号：
61789-36-4
分子式：
C22H14CaO4
分子量：
382.42200
中文名称：
环烷酸钙
英文名称：
calcium,naphthalene-2-carboxylate
中文别名：
环烷酸钙;
萘酸钙;
Cocoalkyl trimethyl ammonium chloride;
Cocinic trimethyl ammonium chloride;
Coco trimethyl ammonium chloride;
phenolic epoxy resin;
Resin epoxy;
(Chloromethyl)oxirane,homopolymer;
(chloromethyl)-oxiranhomopolymer;
Adhesive-Epoxy;
Epoxy resins;
Amines, coco alkyldimethyl, N-oxides;
5-methoxy-1-[4-(trifluoromethyl)phenyl]pentan-1-one;
(4-trifluoromethyl)-5-methoxyvalerophenone;
5-Methoxy-1-(4-trifluoromethyl-phenyl)-pentan-1-one;
5-methoxy-1-[4-(trifluoromethyl)phenyl]-1-pentanone;
N,N-Bis-(2,2,6,6-Tetramethyl-4-Piperidinyl)-Hexamethylenediamine;
N,N'-Bis(2,2,6,6-Tetramethyl-4-Piperidinyl)Hexanediamine;
N,N'-Bis(2,2,6,6-Tetrameth;
HMBTAD
英文别名：
calcium,naphthalene-2-carboxylate;
Calcium naphthenate;
calcium(2+) bis(2-naphthoate)
精确分子量/精确质量：
382.05200
极性分子表面积/PSA：
80.26000
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。
EINECS：
263-055-1
InChI：
InChI=1/2C11H8O2.Ca/c2*12-11(13)10-6-5-8-3-1-2-4-9(8)7-10;/h2*1-7H,(H,12,13);/q;;+2/p-2

生产制备方法及用途展开↓

制备方法

主要用于油漆、油墨的催干剂；橡胶的促进剂；润滑油的添加剂；油品的乳化剂；稀土反应的催化剂及金属冶炼的选矿剂等。

合成制备方法

将环烷酸加入反应锅，加等量的水，搅拌升温至90-100℃，慢慢加入10-20%氢氧化钠溶液进行皂化反应，至溶液透明，pH值在7.5-9时，得环烷酸钠溶液。然后用钙盐溶液与环烷酸钠溶液进行复分解反应，再用120#汽油洗涤，将杂质去掉，再脱水、脱油、加入200#汽油调稀后得成品。工业品钙含量≥4%。公斤/吨环烷酸 830氯化钙 200200#汽油48

用途简介

用途

主要用作清漆催干剂、胶粘剂和织物防水剂，也用于制造色淀。

物化性质展开↓

外观与性状：
黄色至棕色树脂质的液体
熔点：
> 100ºC
闪点：
combustible
存储条件/存储方法：

室温保存，避光、热，保持良好通风干燥处密封保存。

稳定性相关：

远离氧化物，光，热。

其它信息：

1.       性状：浅黄色膏状液体。

2.       密度（g/mL,25/4℃）：未确定

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）：未确定

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：不溶于水，微溶于乙醇，溶于苯，乙酸乙酯，四氯化碳，乙醚和汽油。

安全信息展开↓

包装等级：
III
风险类别：
9
危险类别码：
10
安全说明：
16

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
QK8837500
CHEMICAL NAME :
Naphthenic acid, calcium salt
CAS REGISTRY NUMBER :
61789-36-4
LAST UPDATED :
199710

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>6 gm/kg
TOXIC EFFECTS :
Behavioral - food intake (animal) Behavioral - muscle weakness Gastrointestinal - hypermotility, diarrhea
REFERENCE :
AMIHAB AMA Archives of Industrial Health. (Chicago, IL) V.11-21, 1955-60. For publisher information, see AEHLAU. Volume(issue)/page/year: 12,477,1955
毒理学数据：

1、急性毒性：大鼠（口服）LD50： ＞6mg/kg
 由于食盐的LD50是3,000 mg/kg，BPA的急性毒性程度与食盐同。

生态数据：

通常对水是不危害的，若无政府许可，勿将材料排入周围环境。

MSDS 展开↓

Section 1: Product Identification
   Chemical Name:       Calcium naphthenate, approx. 35% in mineral spirits (4% Ca)    
   CAS Registry Number:       61789-36-4    
   Formula:       Ca salt of naphthenic acid    
   EINECS Number:       263-055-1    
   Chemical Family:       metal carboxylate    
   Synonym:       Naphthenic acid, calcium salt, in petroleum spirits, paraffin oil.    
Section 2: Composition and Information on Ingredients
   Ingredient       CAS Number       Percent       ACGIH (TWA)       OSHA (PEL)    
   Title compound       61789-36-4       35%       no data       no data    
   mineral spirits       64475-85-0       65%       no data       no data    
Section 3: Hazards Identification
   Emergency Overview:       Vapor is irritating to eyes, skin and respiratory tract, and cause 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 immediately with water. Remove contaminated clothing 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). Induce
   Ingestion:
   vomiting only if directed by medical personnel.
SECTION 5: Fire Fighting Measures
   Flash Point:       >100 °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 this product is involved in a fire, fire fighters should be equipped with a NIOSH approved positive pressure
   Special Fire Fighting Procedures:
   self- contained 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 the material in a tightly sealed container in a cool, dry place.    
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 protective clothing and gloves. Consult with glove manufacturer to determine the proper type of glove.    
   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:       not applicable    
   Melting Point:       no data    
   Boiling Point:       no data    
   Vapor Pressure:       no data    
   Specific Gravity:       1.01    
   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
   Oral (rat); LD50:>6 gm/kg. For mineral spirits: Oral (rat); LD50: >34600mg/kg. Inhalation (rat); LC50:
   RTECS Data:       >21400mg/m3/4H. Intraperitoneal (rat); LDLo: 8560mg/kg. Administration onto the skin (rabbit); LD50:    
   15400mg/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

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:0

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:27

8.表面电荷:0

9.复杂度:195

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:3

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