(octadecanoyloxy)magnesio octadecanoate

• ChemBase编号: 151051
• 分子式: C36H70MgO4
• 平均质量: 591.2436
• 单一同位素质量: 590.51245242
• SMILES: CCCCCCCCCCCCCCCCCC(=O)O[Mg]OC(=O)CCCCCCCCCCCCCCCCC
• Canonical SMILES: CCCCCCCCCCCCCCCCCC(=O)O[Mg]OC(=O)CCCCCCCCCCCCCCCCC
• InChI: InChI=1S/2C18H36O2.Mg/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2*2-17H2,1H3,(H,19,20);/q;;+2/p-2
• InChIKey: HQKMJHAJHXVSDF-UHFFFAOYSA-L

名称和登记号

名称

• IUPAC标准名: (octadecanoyloxy)magnesio octadecanoate
• IUPAC传统名: magnesium stearate
• 别名: 十八酸 镁盐; 硬脂酸镁; Stearic acid magnesium salt; Magnesium stearate

登记号

• CAS号: 557-04-0
• EC号: 209-150-3
• MDL号: MFCD00036391
• Beilstein号: 3919702
• PubChem SID: 162245210; 24856025; 24865972
• PubChem CID: 13288249

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 12.232
• LogD (pH = 7.4): 12.232
• Log P: 12.232
• 摩尔折射率: 170.716 cm^3
• 极化性: 70.65586 Å^3
• 极化表面积: 52.6 Å^2
• 可自由旋转的化学键: 36
• 里宾斯基五规则: false

分子性质

理化性质

• 熔点: 200 °C(lit.)

安全信息

• RTECS编号: WI4390000
• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 德国WGK号: nwg
• 危险公开号: 36/37/38
• 安全公开号: 26
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H315-H319-H335
• GHS警示性声明: P261-P305 + P351 + P338
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves

产品相关信息

• 纯度: ≥40% stearic acid basis (GC); ≥90% stearic and palmitic acid basis; 3.8-5% (Mg); 4.0-4.6% Mg basis; 4.0-5.0% Mg basis (calc on dry sub.)
• 级别: puriss.; SAJ first grade; technical; technical grade
• 主要成分: palmitate salt, 25%; stearate salt, 65%
• 适用性: in accordance for fatty acid composition; passes test for identity
• 杂质: acidity or alkalinity, complies; magnesium oleate; magnesium palmitate; microbiological impurity, in accordance; residual solvents, complies
• 痕量阳离子: Cd: ≤3 mg/kg; Ni: ≤5 mg/kg; Pb: ≤10 mg/kg
• 痕量阴离子: chloride (Cl-): ≤1000 mg/kg; sulfate (SO42-): ≤5000 mg/kg
• 干燥失重: ≤6% loss on drying; ≤6.0% loss on drying, 105 °C
• 品质说明: meets analytical specification of Ph. Eur., BP
• 酸值: 195-210(fatty acid)
• 线性分子式: [CH3(CH2)16CO2]2Mg

详细说明

Sigma Aldrich - 415057

包装
1 kg in poly drum
25 g in poly bottle