葡糖酸铜(II)

葡糖酸铜(II) 基本信息
CAS号 13005-35-1 分子式 C12H22CuO14
分子量 453.84100 精确质量  453.03100
PSA  282.56000 LogP  -9.65810

基本信息 展开↓

CAS号:
13005-35-1
3D弹球模型:
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分子式:
C12H22CuO14
分子量:
453.84100
中文名称:
葡糖酸铜(II)
英文名称:
copper,2,3,4,5,6-pentahydroxyhexanoate
中文别名:
葡糖酸铜(II);
D-葡萄糖酸铜
英文别名:
copper,2,3,4,5,6-pentahydroxyhexanoate;
EINECS 235-844-0;
CUPRIC GLUCONATE;
Copper D-gluconate;
Chelates of copper gluconate;
Cupric gluconate monohydrate;
copper gluconate;
Copper di-D-gluconate
精确分子量/精确质量:
453.03100
极性分子表面积/PSA:
282.56000
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:
235-844-0
InChI:
The Key: PTQVJQYWDRVBMP-JJKGCWMISA-M

生产制备方法及用途展开↓

制备方法


发酵法以葡萄糖为原料,经黑霉菌发酵氧化生成葡萄糖酸,再与碳酸铜(或碱式碳酸铜)反应生成葡萄糖酸铜,此法生产设备庞大,浓缩能耗高,提纯结晶困难。直接法由葡萄糖酸钙与硫酸铜直接反应生成葡萄糖酸铜。此法工艺简单,但残留硫酸钙难以除去。化学氧化法以葡萄糖为原料,用臭氧氧化成葡萄糖酸,经减压浓缩、脱水得葡萄糖酸善内酯,再与碳酸铜反应生成葡萄糖酸铜。酸化法将1.2mol的葡萄糖酸钙加入等摩尔的硫酸溶液中,在60~90℃下反应1~2h,趁热滤除析出的硫酸钙沉淀,得无色或淡黄色的葡萄糖酸溶液(相对密度1.12~1.16)。将4g氢氧化钡水溶液和1.5g草酸水溶液滴加入上述葡萄糖酸溶液,搅拌反应15min,除去残留的Ca2+和S02-。纯化液再经过阴、阳离子交换树脂,得到无色透明的葡萄糖酸溶液。另将1mol结晶硫酸铜溶液与2mol氢氧化钠溶液混合,在40~60℃下反应0.5~1h,过滤,滤饼用水洗涤后得黑色氧化铜结晶。将氧化铜结晶分批加入葡萄糖酸溶液,反应lh,过滤除去未反应物,冷却静置3~5h后析出结晶。加入适量95%的乙醇,搅拌成糊状后过滤,滤饼于50℃真空干燥,得成品,收率90%~92.5%。(C6H1lO7)2Ca+H2SO4→2C6Hn07+CaS04↓2C6H12O7+CuO→(C6H11O7)2Cu+H2O

合成制备方法


发酵法
以葡萄糖为原料,经黑霉菌发酵氧化生成葡萄糖酸,再与碳酸铜(或碱式碳酸铜)反应生成葡萄糖酸铜,此法生产设备庞大,浓缩能耗高,提纯结晶困难。
直接法
由葡萄糖酸钙与硫酸铜直接反应生成葡萄糖酸铜。此法工艺简单,但残留硫酸钙难以除去。
化学氧化法
以葡萄糖为原料,用臭氧氧化成葡萄糖酸,经减压浓缩、脱水得葡萄糖酸善内酯,再与碳酸铜反应生成葡萄糖酸铜。
酸化法
1.2mol的葡萄糖酸钙加入等摩尔的硫酸溶液中,在6090℃下反应12h,趁热滤除析出的硫酸钙沉淀,得无色或淡黄色的葡萄糖酸溶液(相对密度1.121.16)。将4g氢氧化钡水溶液和1.5g草酸水溶液滴加入上述葡萄糖酸溶液,搅拌反应15min,除去残留的Ca2+S02-。纯化液再经过阴、阳离子交换树脂,得到无色透明的葡萄糖酸溶液。
另将1mol结晶硫酸铜溶液与2mol氢氧化钠溶液混合,在4060℃下反应0.51h,过滤,滤饼用水洗涤后得黑色氧化铜结晶。将氧化铜结晶分批加入葡萄糖酸溶液,反应lh,过滤除去未反应物,冷却静置35h后析出结晶。加入适量95%的乙醇,搅拌成糊状后过滤,滤饼于50℃真空干燥,得成品,收率90%92.5%

用途简介


葡萄糖酸铜是一种很好的营养强化剂,我国规定可用于婴幼儿配方食品,使用量为7.5~10mg/kg(以铜计,下同);在乳制品中为5.7~7.5mg/kg。

用途


葡萄糖酸铜是一种很好的营养强化剂,我国规定可用于婴幼儿配方食品,使用量为7.510mg/kg(以铜计,下同);在乳制品中为5.77.5mg/kg

物化性质展开↓

密度:
1.763g/cm3
熔点:
131ºC
沸点:
673.6ºC at 760mmHg
闪点:
375.2ºC
蒸汽压:
4.95E-21mmHg at 25°C
其它信息:

1.       性状:浅蓝色结晶或粉末,无臭。

2.       密度(g/mL,18):未确定

3.       相对蒸汽密度(g/mL,空气=1):未确定

4.       熔点(ºC):155~157

5.       沸点(ºC,常压):未确定

6.       沸点(ºC5mmHg):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(20ºC):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:极易溶于水,难溶于乙醇。

安全信息展开↓

海关代码:
2918199090

毒理性展开↓

毒理学数据:

1. 急性毒性:小白鼠经口LD50:0.419g/kg

MSDS 展开↓


Section 1: Product Identification
   Chemical Name:       Copper (II) gluconate, min. 98%    
   CAS Registry Number:       13005-35-1    
   Formula:       Cu[OOC(CHOH)4CH2OH]2    
   EINECS Number:       none    
   Chemical Family:       salt of an organic acid    
   Synonym:       Gluconic acid, copper (+2) salt    

Section 2: Composition and Information on Ingredients
   Ingredient       CAS Number       Percent       ACGIH (TWA)       OSHA (PEL)    
   Title Compound       13005-35-1       100%       1mg/m3 (as Cu)       1mg/m3 (as Cu)    

Section 3: Hazards Identification
   Emergency Overview:       Irritating to the skin, eyes and respiratory tract.    
   Primary Routes of Exposure:       Ingestion, inhalation    
   Eye Contact:       Causes slight to mild irritation of the eyes    
   Skin Contact:       Causes slight to mild irritation of the skin.    
   Inhalation:       The material is a fine powder. Irritating to the nose, mucous membranes and respiratory tract.    
   Ingestion:       Ingestion of copper compounds may lead to vomiting, exhaustion, anemia, convulsions and coma.    
   Acute Health Affects:       Irritating to skin, eyes and respiratory tract.    
   Chronic Health Affects:       No information available on long-term chronic 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 water. Remove contaminated clothes if necessary. Seek medical assistance if
   Skin Exposure:
   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:       no data    
   Autoignition Temperature:       none    
   Explosion Limits:       none    
   Extinguishing Medium:       carbon dioxide, foam or dry powder    
   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 irritating 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 tightly sealed container. Handle the material in a 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 protective clothing and gloves.    
   Ventilation:       Material may form a fine dust. 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 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:       453.85    
   Melting Point:       no data    
   Boiling Point:       no data    
   Vapor Pressure:       not applicable    
   Specific Gravity:       1.831    
   Odor:       none    
   Solubility in Water:       slightly soluble    

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 fumes, and copper salts.    

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:       Not listed in the TSCA inventory.    
   SARA (Title 313):       See Category Code N100 for reporting.    
   Second Ingredient:       none    


SECTION 16 - ADDITIONAL INFORMATION
N/A

海关数据查看详细

中国海关编码:2918199090

概述:
HS: 2918199090. 其他含醇基但不含其他含氧基羧酸(包括其酸酐、酰卤化物、过氧化物和过氧酸及该税号的衍生物). 增值税率:17.0%. 退税率:9.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:30.0%
申报要素:
品名, 成分含量, 用途
摘要/Summary:
2918199090 other carboxylic acids with alcohol function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:30.0%

分子结构与计算化学数据展开↓

分子结构数据


1、摩尔折射率:无可用的

2、摩尔体积(cm3/mol):无可用的

3、等张比容(90.2K):无可用的

4、表面张力(dyne/cm):无可用的

5、介电常数:无可用的

6、极化率(10-24cm3):无可用的

7、单一同位素质量:453.030556 Da

8、标称质量:453 Da

9、平均质量:453.8407 Da

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:10

3.氢键受体数量:14

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283

7.重原子数量:27

8.表面电荷:0

9.复杂度:165

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:8

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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