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62-54-4 分子结构
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calcium diacetate

ChemBase编号:143
分子式:C4H6CaO4
平均质量:158.16604
单一同位素质量:157.98919965
SMILES和InChIs

SMILES:
[Ca+2].[O-]C(=O)C.[O-]C(=O)C
Canonical SMILES:
[O-]C(=O)C.[O-]C(=O)C.[Ca+2]
InChI:
InChI=1S/2C2H4O2.Ca/c2*1-2(3)4;/h2*1H3,(H,3,4);/q;;+2/p-2
InChIKey:
VSGNNIFQASZAOI-UHFFFAOYSA-L

引用这个纪录

CBID:143 http://www.chembase.cn/molecule-143.html

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名称和登记号

名称和登记号

名称 登记号
IUPAC标准名
calcium diacetate
IUPAC传统名
calcium(2+) bis(acetate ion)
calcium diacetate
商标名
Calac
Niacet calcium acetate tech
PhosLo
PhosLo Gelcaps
Sorbo-calcian
Sorbo-calcion
Teltozan
别名
乙酸钙水合物, Puratronic®
乙酸钙水合物
Acetic acid, calcium salt
Brown acetate
Brown acetate of lime
Calcium acetate hydrate
Calcium acetate monohydrate
Calcium diacetate
Gray acetate
Gray acetate of lime
Grey acetate
Lime acetate
Lime pyrolignite
Procalamine
Pyrolignite of lime
Vinegar salts
Calcium Acetate
CALCIUM ACETATE ULTRA PURE
Acetate of lime
Calcium ethanoate
Calcium acetate hydrate, Puratronic®
Calcium acetate hydrate
CAS号
62-54-4
114460-21-8
EC号
200-540-9
MDL号
MFCD00012448
Beilstein号
3692527
默克索引号
141646
PubChem SID
46507985
160963606
PubChem CID
6116
CHEBI ID
3310
ATC码
A12AA12
CHEMBL
1200800
Chemspider ID
5890
DrugBank ID
DB00258
美国药典/FDA物质标识码
Y882YXF34X
维基百科标题
Calcium_acetate

理论计算性质

理论计算性质

JChem ALOGPS 2.1
Acid pKa 4.54344  质子受体
质子供体 LogD (pH = 5.5) -1.2242727 
LogD (pH = 7.4) -2.9968748  Log P -0.22334571 
摩尔折射率 23.4808 cm3 极化性 4.912116 Å3
极化表面积 40.13 Å2 可自由旋转的化学键
里宾斯基五规则 true 
Log P 0.24  LOG S -0.03 
溶解度 1.47e+02 g/l 

分子性质

分子性质

理化性质 安全信息 产品相关信息 生物活性(PubChem)
溶解度
37.4 g/100 mL (0 °C)
34.7 g/100 mL (20 °C)
29.7 g/100 mL (100 °C) in water
expand 查看数据来源
slightly soluble in methanol
insoluble in acetone, ethanol and benzene
expand 查看数据来源
外观
Powder expand 查看数据来源
White solid
hygroscopic
expand 查看数据来源
熔点
160 °C (decomposition to acetone) expand 查看数据来源
dec. expand 查看数据来源
decomposes prior to melting expand 查看数据来源
自燃点
680 - 730 °C expand 查看数据来源
密度
1.5 expand 查看数据来源
1.5 g/ml expand 查看数据来源
1.509 g/cm3 expand 查看数据来源
ca. 1.5 g/cm3 at 20 °C expand 查看数据来源
折射率
1.55 expand 查看数据来源
蒸汽压
Not available. Probably does not form a vapor. expand 查看数据来源
pKa
6.3-9.6 expand 查看数据来源
气味
slight acetic acid odor expand 查看数据来源
保存条件
Room Temperature (15-30°C), Desiccate expand 查看数据来源
保存注意事项
Hygroscopic expand 查看数据来源
RTECS编号
AF7525000 expand 查看数据来源
MSDS下载
下载链接 expand 查看数据来源
下载链接 expand 查看数据来源
安全公开号
R expand 查看数据来源
TSCA收录
expand 查看数据来源
NFPA704
NFPA 704 diagram
1
1
0
expand 查看数据来源
半数致死量
4280 mg/kg (oral, rat) expand 查看数据来源
纯度
97% expand 查看数据来源
99% expand 查看数据来源
99.9965% (metals basis) expand 查看数据来源
质检报告
下载链接 expand 查看数据来源
下载链接 expand 查看数据来源

详细说明

详细说明

DrugBank DrugBank MP Biomedicals MP Biomedicals Wikipedia Wikipedia
DrugBank -  DB00258 external link
Item Information
Drug Groups approved
Description The chemical compound calcium acetate is the calcium salt of acetic acid. An older name is acetate of lime. The anhydrous form is very hygroscopic, therefore the monohydrate is the common form. [Wikipedia]
Indication Calcium acetate is one of a number of calcium salts used to treat hyperphosphatemia (too much phosphate in the blood) in patients with kidney disease.
Pharmacology Patients with advanced renal insufficiency (creatinine clearance less than 30 ml/min) exhibit phosphate retention and some degree of hyperphosphatemia. The retention of phosphate plays a pivotal role in causing secondary hyperparathyroidism associated with osteodystrophy, and soft-tissue calcification. The mechanism by which phosphate retention leads to hyperparathyroidism is not clearly delineated. Therapeutic efforts directed toward the control of hyperphosphatemia include reduction in the dietary intake of phosphate, inhibition of absorption of phosphate in the intestine with phosphate binders, and removal of phosphate from the body by more efficient methods of dialysis. The rate of removal of phosphate by dietary manipulation or by dialysis is insufficient. Dialysis patients absorb 40% to 80% of dietary phosphorus. Therefore, the fraction of dietary phosphate absorbed from the diet needs to be reduced by using phosphate binders in most renal failure patients on maintenance dialysis. Calcium acetate when taken with meals combines with dietary phosphate to form insoluble calcium phosphate which is excreted in the feces. Maintenance of serum phosphorus below 6.0 mg/dl is generally considered as a clinically acceptable outcome of treatment with phosphate binders. Calcium acetate is highly soluble at neutral pH, making the calcium readily available for binding to phosphate in the proximal small intestine.
Toxicity Oral, rat: LD50 = 4280 mg/kg. Symptoms of overdose include mild hypercalcemia (constipation; loss of appetite; nausea and vomiting), and severe hypercalcemia (confusion; full or partial loss of consciousness; incoherent speech).
Affected Organisms
Humans and other mammals
Absorption 40% is absorbed in the fasting state and approximately 30% is absorbed in the nonfasting state following oral administration.
Elimination Calcium acetate when taken with meals, combines with dietary phosphate to form insoluble calcium phosphate which is excreted in the feces.
External Links
Wikipedia
Drugs.com
MP Biomedicals -  02193820 external link
Ultra Pure Reagent
Purity: 99%
MP Biomedicals -  05201796 external link
MP Biomedicals Rare Chemical collection

参考文献

参考文献

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专利

专利

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