sodium acetate

• ChemBase编号: 105766
• 分子式: C2H3NaO2
• 平均质量: 82.03379
• 单一同位素质量: 82.00307362
• SMILES: [Na+].CC(=O)[O-]
• Canonical SMILES: [O-]C(=O)C.[Na+]
• InChI: InChI=1S/C2H4O2.Na/c1-2(3)4;/h1H3,(H,3,4);/q;+1/p-1
• InChIKey: VMHLLURERBWHNL-UHFFFAOYSA-M

名称和登记号

名称

• IUPAC标准名: sodium acetate
• IUPAC系统名: Sodium ethanoate
• IUPAC传统名: sodium acetate; potassium acetate ion
• 别名: 醋酸钠 溶液; 醋酸钠缓冲液 溶液; 用于光极膜的 pH 5.1 缓冲溶液; 用于光极膜的 pH 5.5 缓冲溶液; 乙酸 钠盐; 乙酸钠; 醋酸盐, 离子色谱标准溶液, Specpure®, CH3CO2- 1000μg/ml; 无水乙酸钠, ACS; 无水乙酸钠; Sodium acetate solution; Hot ice (Sodium acetate trihydrate); Sodium acetate; Sodium acetate buffer solution; Buffer solution for optode membranes pH 5.1; Buffer solution for optode membranes pH 5.5; Sodium acetate; Acetic Acid, Sodium Salt; SODIUM ACETATE, USP GRADE; SODIUM ACETATE ANHYDROUS ACS REAGENT GRADE; Acetic Acid Sodium Salt; Anhydrous Sodium Acetate; SODIUM ACETATE ANHYDROUS; Acetate, Ion chromatography standard solution, Specpure®, CH3CO2- 1000 μg/ml; Sodium acetate, anhydrous, ACS; Sodium acetate, anhydrous

登记号

• CAS号: 127-09-3
• EC号: 232-148-9; 204-823-8
• MDL号: MFCD00012459; MFCD00282007
• Beilstein号: 3595639; 3732037
• 默克索引号: 148571
• PubChem SID: 24899553; 24853755; 24886012; 24888016; 24899789; 24899665; 24886014; 24886013; 24899538; 24886016; 24859225; 24899809; 24881761; 24899754; 24888015; 24854471; 162092607; 24899479
• PubChem CID: 517045
• CHEBI ID: 32954
• ATC码: B05XA08
• CHEMBL: 1354
• Chemspider ID: 29105
• 美国药典/FDA物质标识码: NVG71ZZ7P0
• 维基百科标题: Sodium_acetate

理论计算性质

• 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

分子性质

• 溶解度: 36.2 g/100 ml (0 °C) ; 46.4 g/100 mL (20 °C) ; 139 g/100 mL (60 °C) ; 170.15 g/100 mL (100 °C) in water; H2O: soluble1 M, clear, colorless; H2O: soluble100 mg/mL; H2O: soluble3 M at 20 °C, clear, colorless; soluble in ethanol (5.3 g/100 mL (trihydrate)
• 外观: Crystalline; Liquid; powder; Powder; solid; white crystalline; White deliquescent powder
• 熔点: >300 °C (dec.)(lit.); 324 °C with decomposition; 324 °C (anhydrous) ; 58 °C (trihydrate); 324°C
• 沸点: > 400 °C with decomposition; 881.4 °C (anhydrous) ; 122 °C (trihydrate)(decomposes)
• 闪点: >250 °C; >482 °F; 250 °C
• 自燃点: 1112 °F; 600°C; 607 °C
• 密度: 1.01 g/mL at 20 °C; 1.45 g/cm^3; 1.528; 1.528 g/cm^3 ; 1.45 g/cm^3 (trihydrate)
• 折射率: 1.464
• 蒸汽压: ca. 0 hPa at 20 °C
• 紫外吸收波长: λ: 250 nm Amax: ≤0.05; λ: 260 nm Amax: ≤0.01; λ: 260 nm Amax: ≤0.030; λ: 260 nm Amax: 0.03; λ: 280 nm Amax: ≤0.024; λ: 280 nm Amax: 0.02; λ: 500 nm Amax: ≤0.01
• pKa: 4.76 (acetic acid)
• pKb: 9.25
• 气味: odorless
• pH值: 5.1±0.1; 5.5±0.1; 7.0-8.0 (25 °C, 3 M in H2O); 7.0-9.2 (25 °C, 5%); 7.0-9.2 (25 °C, 50 mg/mL in H2O); 7.5-9.2 (20 °C, 5%); 7.5-9.2 (20 °C, 50 mg/mL in H2O); 7.5-9.2 (25 °C, 50 mg/mL in H2O); 8.5-10.0 (25 °C, 3 M in H2O)

• 保存条件: Room Temperature (15-30°C), Desiccate
• 保存注意事项: Hygroscopic
• RTECS编号: AJ4300010; AJ4300010 (anhydrous) ; AJ4580000
• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 德国WGK号: 1