(octadecanoyloxy)zincio octadecanoate

• ChemBase编号: 146697
• 分子式: C36H70O4Zn
• 平均质量: 632.3186
• 单一同位素质量: 630.45655272
• SMILES: CCCCCCCCCCCCCCCCCC(=O)O[Zn]OC(=O)CCCCCCCCCCCCCCCCC
• Canonical SMILES: CCCCCCCCCCCCCCCCCC(=O)O[Zn]OC(=O)CCCCCCCCCCCCCCCCC
• InChI: InChI=1S/2C18H36O2.Zn/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: XOOUIPVCVHRTMJ-UHFFFAOYSA-L

名称和登记号

名称

• IUPAC标准名: (octadecanoyloxy)zincio octadecanoate
• IUPAC传统名: zinc stearate
• 别名: 十八酸 锌盐; 硬脂酸锌; 十八烷酸; Stearic acid zinc salt; Zinc stearate; 1-Heptadecanecarboxylic acid; C18:0; Cetylacetic acid; NSC 25956; NSC 261168; Stearophanic acid; Octadecanoic acid; Stearic acid; Stearic Acid

登记号

• CAS号: 57-11-4; 557-05-1
• EC号: 209-151-9; 200-313-4
• MDL号: MFCD00002752; MFCD00013031
• Beilstein号: 608585; 3919706
• PubChem SID: 162240889; 24855997; 24858605
• PubChem CID: 516979

理论计算性质

• 可自由旋转的化学键: 36
• 里宾斯基五规则: false
• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 12.282
• LogD (pH = 7.4): 12.282
• Log P: 12.282
• 摩尔折射率: 170.716 cm^3
• 极化性: 71.801025 Å^3
• 极化表面积: 52.6 Å^2

分子性质

理化性质

• 熔点: 128-130 °C(lit.); 67-72 °C(lit.)
• 沸点: 361 °C(lit.)
• 闪点: 113 °C; 235.4 °F
• 自燃点: 1454 °F
• 蒸汽压: 1 mmHg ( 173.7 °C)

安全信息

• RTECS编号: ZH5200000
• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 德国WGK号: 1
• 危险公开号: 37; 38
• 安全公开号: 22-26-36/37/39-38
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H315
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves

产品相关信息

• 纯度: 10-12% Zn basis
• 级别: certified reference material; CP; purum; SAJ first grade; technical grade
• 主要成分: palmitate salt, 25%; stearate salt, 65%; Zn, 10.3-10.7%
• 包装: pkg of 1 g
• 燃烧残渣: 12-15%
• 杂质: ≤3.5% free acid (as stearic acid)
• 干燥失重: ≤1% loss on drying, 105 °C
• Pharmacopeia Traceability: traceable to PhEur S1340000; traceable to USP 1621008
• 线性分子式: [CH3(CH2)16COO]2Zn; CH3(CH2)16COOH

详细说明

Sigma Aldrich - 307564

包装
1 kg in poly drum
25 g in poly bottle
3 kg in fiber drum

Sigma Aldrich - PHR1114

General description
This certified reference material (CRM) is produced and certified in accordance with ISO/IEC 17025 and ISO Guide 34.