ethyl hexadecanoate

• ChemBase编号: 90525
• 分子式: C18H36O2
• 平均质量: 284.47724
• 单一同位素质量: 284.27153039
• SMILES: O(CC)C(=O)CCCCCCCCCCCCCCC
• Canonical SMILES: CCCCCCCCCCCCCCCC(=O)OCC
• InChI: InChI=1S/C18H36O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20-4-2/h3-17H2,1-2H3
• InChIKey: XIRNKXNNONJFQO-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: ethyl hexadecanoate
• IUPAC传统名: ethyl palmitate
• 别名: 十六酸乙酯; 棕榈酸乙基酯; 棕榈酸乙酯; Ethyl palmitate; Hexadecanoic Acid Ethyl Ester; NSC 8918; Ethyl hexadecanoate; Palmitic acid ethyl ester; Ethyl palmitate; PALMITIC ACID ETHYL ESTER; Ethyl palmitate

登记号

• CAS号: 628-97-7; 105-37-3
• EC号: 211-064-6
• MDL号: MFCD00008996
• Beilstein号: 1782663
• PubChem SID: 24886943; 24901097; 162077322; 24899002
• PubChem CID: 12366
• FEMA编号: 2451
• 欧洲委员会编号: 634
• Flavis Number: 9.193

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 6.759285
• LogD (pH = 7.4): 6.759285
• Log P: 6.759285
• 摩尔折射率: 86.6013 cm^3
• 极化性: 34.66299 Å^3
• 极化表面积: 26.3 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: Chloroform; Ethyl Acetate
• 外观: Off-White Low Melting Solid
• 熔点: 22-26°C; 24-26 °C(lit.); 26-28°C
• 沸点: 192-193 °C/10 mmHg(lit.); 192-193°C/10mm; 192-193°C/10mm
• 闪点: >110°C; >113 °C; >235.4 °F; 178°C(352°F)
• 密度: 0.857; 0.857 g/mL at 25 °C(lit.); 0.87 g/ml
• 折射率: 1.4395; n20/D 1.440; n20/D 1.440(lit.)
• 感官: waxy

安全信息

• 保存条件: 0°C; Refrigerator
• 保存注意事项: Irritant
• 德国WGK号: 3
• TSCA收录: 是
• 个人保护装置: Eyeshields, Gloves
• 保存温度: -20°C
• Regulation Compliance: EU Regulation 1334/2008 & 178/2002

药理学性质

• 过敏源: no known allergens

产品相关信息

• 纯度: ≥95%; ≥95.0% (GC); ≥99%; 95+%; 97%; 99%
• 级别: FG; Halal; Kosher; NI
• 线性分子式: CH3(CH2)14COOC2H5

详细说明

MP Biomedicals - 05210190

MP Biomedicals Rare Chemical collection

MP Biomedicals - 02156037

Purity: 99%
1 ml = approx. 0.87 g

Sigma Aldrich - P9009

包装
5, 25 g in glass bottle

Sigma Aldrich - W245100

包装
1 kg in glass bottle
1 sample in glass bottle
250 g in glass bottle
5, 10 kg in poly drum

Toronto Research Chemicals - E925480

A fatty acid found in Amaranth oil; it shows inhibitory activity.

参考文献

• Fidler, N., et al.: J. Lipid Res., 41, 1376 (2000)
• Yang, T., et al.: Food Chem., 80, 473 (2000)
• Gamel, T., et al.: J. Food Lipids, 14, 323 (2000)