hexadecyl hexadecanoate

• ChemBase编号: 104473
• 分子式: C32H64O2
• 平均质量: 480.84936
• 单一同位素质量: 480.49063129
• SMILES: CCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCC
• Canonical SMILES: CCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCC
• InChI: InChI=1S/C32H64O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-34-32(33)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-31H2,1-2H3
• InChIKey: PXDJXZJSCPSGGI-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: hexadecyl hexadecanoate
• IUPAC传统名: cetyl palmitate
• 别名: Palmityl palmitate; PALMITIC ACID PALMITYL ESTER; Cetyl palmitate; Hexadecyl hexadecanoate; Palmitic acid palmityl ester; Palmityl palmitate

登记号

• CAS号: 540-10-3
• EC号: 208-736-6
• MDL号: MFCD00053739
• PubChem SID: 24898081; 162091755; 24864220
• PubChem CID: 10889

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 13.0612
• LogD (pH = 7.4): 13.0612
• Log P: 13.0612
• 摩尔折射率: 150.9383 cm^3
• 极化性: 60.506657 Å^3
• 极化表面积: 26.3 Å^2
• 可自由旋转的化学键: 30
• 里宾斯基五规则: false

分子性质

理化性质

• 熔点: 55-56 °C(lit.)

安全信息

• 保存条件: 0°C
• RTECS编号: RT4750000
• 德国WGK号: nwg
• 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: ~99%; ≥99%; 98%
• 级别: certified reference material
• 包装: pkg of 1 g
• Pharmacopeia Traceability: traceable to PhEur Y0000074; traceable to USP 1103105
• 线性分子式: CH3(CH2)14CO2(CH2)15CH3

详细说明

MP Biomedicals - 02156041

Purity: ~99%

Sigma Aldrich - P0169

包装
1, 5 g in poly bottle
100 mg in poly bottle

Sigma Aldrich - 388335

包装
10 g in glass bottle

Sigma Aldrich - PHR1166

General description
This certified reference material (CRM) is produced and certified in accordance with ISO/IEC 17025 and ISO Guide 34.
Other Notes
Values of analytes vary lot to lot.