dihydroxyalumanyl octadecanoate

• ChemBase编号: 125755
• 分子式: C18H37AlO4
• 平均质量: 344.465518
• 单一同位素质量: 344.25072329
• SMILES: CCCCCCCCCCCCCCCCCC(=O)O[Al](O)O
• Canonical SMILES: CCCCCCCCCCCCCCCCCC(=O)O[Al](O)O
• InChI: InChI=1S/C18H36O2.Al.2H2O/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);;2*1H2/q;+3;;/p-3
• InChIKey: UGMCXQCYOVCMTB-UHFFFAOYSA-K

名称和登记号

名称

• IUPAC标准名: dihydroxyalumanyl octadecanoate
• IUPAC传统名: aluminum monostearate
• 别名: 二羟基硬脂酸铝; 单硬脂酸铝; Aluminum monostearate; Dibasic aluminum stearate; Dihydroxyaluminum stearate; Dihydroxy(octadecanoato-O-)aluminium; Dihydroxy(stearato)aluminium; Aluminium monostearate; Aluminum dihydroxide stearate; Stearic acid aluminum dihydroxide salt; Aluminum monostearate

登记号

• CAS号: 7047-84-9
• EC号: 230-325-5
• MDL号: MFCD00019932
• PubChem SID: 162220103; 24845811
• PubChem CID: 16682987
• CHEBI ID: 37867
• Chemspider ID: 11983
• DrugBank ID: DB01375
• 维基百科标题: Aluminium_monostearate

理论计算性质

• Acid pKa: 14.6174345
• 质子受体: 3
• 质子供体: 2
• LogD (pH = 5.5): 5.6936
• LogD (pH = 7.4): 5.6936
• Log P: 5.6936
• 摩尔折射率: 90.4872 cm^3
• 极化性: 38.392063 Å^3
• 极化表面积: 66.76 Å^2
• 可自由旋转的化学键: 18
• 里宾斯基五规则: false

分子性质

理化性质

• 外观: powder

安全信息

• 德国WGK号: 3
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

产品相关信息

• 纯度: ~75% (Al)
• 级别: technical
• 线性分子式: CH3(CH2)16COOAl(OH)2

详细说明

Sigma Aldrich - 06270

Application
Used for the packaging of pharmaceuticals, and in the preparation of colors for cosmetics.