sodium octadecanoate

• ChemBase编号: 112178
• 分子式: C18H35NaO2
• 平均质量: 306.45907
• 单一同位素质量: 306.25347464
• SMILES: [Na+].CCCCCCCCCCCCCCCCCC(=O)[O-]
• Canonical SMILES: CCCCCCCCCCCCCCCCCC(=O)[O-].[Na+]
• InChI: InChI=1S/C18H36O2.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2-17H2,1H3,(H,19,20);/q;+1/p-1
• InChIKey: RYYKJJJTJZKILX-UHFFFAOYSA-M

名称和登记号

名称

• IUPAC标准名: sodium octadecanoate
• IUPAC传统名: potassium formula 300; sodium n-octadecanoate
• 别名: 十八烷酸 钠盐; 硬脂酸 钠盐; 硬脂酸钠; SODIUM STEARATE; sodium octadecanoate; Sodium stearate; Octadecanoic acid sodium salt; Stearic acid sodium salt

登记号

• CAS号: 822-16-2
• EC号: 212-490-5
• MDL号: MFCD00036404
• Beilstein号: 3576813
• 默克索引号: 148678
• PubChem SID: 162098140; 24855995; 24899554
• PubChem CID: 2724691
• Chemspider ID: 12639
• 美国药典/FDA物质标识码: QU7E2XA9TG
• 维基百科标题: Sodium_stearate

理论计算性质

• Acid pKa: 4.9520197
• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 6.4899144
• LogD (pH = 7.4): 4.7307796
• Log P: 7.14572
• 摩尔折射率: 97.1227 cm^3
• 极化性: 34.295197 Å^3
• 极化表面积: 40.13 Å^2
• 可自由旋转的化学键: 16
• 里宾斯基五规则: false

分子性质

理化性质

• 溶解度: Slowly soluble in cold water. Solubility increases with temperature; soluble in water
• 外观: powder; Powder; Yellow/white solid
• 熔点: 205°C; 245 - 255°C

安全信息

• RTECS编号: WI4725000
• 德国WGK号: 1
• TSCA收录: 是
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• 保存温度: 2-8°C

产品相关信息

• 纯度: ≥88% fatty acids (as stearic acid) basis; ≥96.0%; ≥98.0% (T); ≥99%
• 级别: SAJ first grade
• 杂质: ≤0.2% free alkali (as NaOH); ≤8% Na
• 干燥失重: ≤2.5% loss on drying, 105 °C
• 线性分子式: CH3(CH2)16COONa

详细说明

Sigma Aldrich - 26421

Application
Stearic acid is used to study effects on ER stress, cell death, and apolipoprotein B synthesis, degradation, and secretion in cultured cells.
Biochem/physiol Actions
Stearic acid induces ER stress and cell death via effects on ER luminal calcium stores in H4IIE liver cells and primary hepatocytes 1.