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: [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

名称和登记号

名称

• 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; 乙酸钙水合物, Puratronic®; Calcium acetate hydrate; Calcium acetate hydrate, Puratronic®; 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

登记号

• 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: 160963606; 46507985
• 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

JChem

• Acid pKa: 4.54344
• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): -1.2242727
• LogD (pH = 7.4): -2.9968748
• Log P: -0.22334571
• 摩尔折射率: 23.4808 cm^3
• 极化性: 4.912116 Å^3
• 极化表面积: 40.13 Å^2
• 可自由旋转的化学键: 0
• 里宾斯基五规则: true

ALOGPS 2.1

• Log P: 0.24
• LOG S: -0.03
• 溶解度: 1.47e+02 g/l

分子性质

理化性质

• 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; slightly soluble in methanol ; insoluble in acetone, ethanol and benzene
• 外观: Powder; White solid ; hygroscopic
• 熔点: 160 °C (decomposition to acetone); dec.; decomposes prior to melting
• 自燃点: 680 - 730 °C
• 密度: 1.5; 1.5 g/ml; 1.509 g/cm^3; ca. 1.5 g/cm^3 at 20 °C
• 折射率: 1.55
• 蒸汽压: Not available. Probably does not form a vapor.
• pKa: 6.3-9.6
• 气味: slight acetic acid odor

安全信息

• 保存条件: Room Temperature (15-30°C), Desiccate
• 保存注意事项: Hygroscopic
• RTECS编号: AF7525000
• 安全公开号: R
• TSCA收录: 是
• NFPA704:
  

  1

  1

  0
• 半数致死量: 4280 mg/kg (oral, rat)

产品相关信息

• 纯度: 97%; 99%; 99.9965% (metals basis)

详细说明

MP Biomedicals - 02193820

Ultra Pure Reagent
Purity: 99%

MP Biomedicals - 05201796

MP Biomedicals Rare Chemical collection

DrugBank - DB00258

• 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