ethyl tetradecanoate

• ChemBase编号: 104384
• 分子式: C16H32O2
• 平均质量: 256.42408
• 单一同位素质量: 256.24023026
• SMILES: CCCCCCCCCCCCCC(=O)OCC
• Canonical SMILES: CCCCCCCCCCCCCC(=O)OCC
• InChI: InChI=1S/C16H32O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16(17)18-4-2/h3-15H2,1-2H3
• InChIKey: MMKRHZKQPFCLLS-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: ethyl tetradecanoate
• IUPAC传统名: ethylmyristate
• 别名: 十四烷酸乙酯; 肉豆蔻酸乙酯; 十四酸乙酯; Tetradecanoic Acid Ethyl Ester; NSC 8917; Nikkol BM; Ethyl tetradecanoate; Ethyl tetradecanoate; Ethyl tetradecanoate; Myristic acid ethyl ester; Ethyl myristate; glyceryl trimyristate; Trimyristin; Ethyl myristate; MYRISTIC ACID ETHYL ESTER; ETHYL MYRISTATE

登记号

• CAS号: 124-06-1; 555-45-3
• EC号: 204-675-4
• MDL号: MFCD00008984
• Beilstein号: 1776382
• 默克索引号: 146333
• PubChem SID: 162091532; 24894532; 24886050; 24901092
• PubChem CID: 11148; 31283
• FEMA编号: 2445
• 美国药典/FDA物质标识码: 18L31PSR28
• 维基百科标题: Trimyristin
• 欧洲委员会编号: 385
• Flavis Number: 9.104

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 5.870147
• LogD (pH = 7.4): 5.870147
• Log P: 5.870147
• 摩尔折射率: 77.3993 cm^3
• 极化性: 30.972935 Å^3
• 极化表面积: 26.3 Å^2
• 可自由旋转的化学键: 14
• 里宾斯基五规则: false

分子性质

理化性质

• 溶解度: Chloroform; Insoluble in water; Methanol
• 外观: Colourless Oil
• 熔点: 11°C; 11-12 °C(lit.); 11-12°C; 12°C; 56 - 57°C
• 沸点: 178-180 °C/12 mmHg(lit.); 178-180°C @ 12mm; 295°C; 311°C
• 闪点: 100°C; 113 °C; 135°C(275°F); 235.4 °F
• 密度: 0.86 g/mL at 25 °C(lit.); 0.860; 0.862 g/ml; 0.885 g/cm^3 at 60 °C
• 折射率: 1.4360; n20/D 1.436(lit.)
• 感官: waxy; soapy

安全信息

• 保存条件: 2-8°C; Refrigerator
• 德国WGK号: 2
• TSCA收录: 是
• 个人保护装置: Eyeshields, Gloves; Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US)
• Regulation Compliance: FCC; FDA 21 CFR (172.515)

药理学性质

• 过敏源: no known allergens

产品相关信息

• 纯度: ≥98%; 95+%; 97%; 98%; 99%; 99% (GC)
• 级别: Halal; Kosher; NI
• 线性分子式: CH3(CH2)12COOC2H5

详细说明

MP Biomedicals - 02155752

(Ethyl myristate) Purity: 99% 1 ml = approx. 0.86 g

MP Biomedicals - 05206886

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 70090

包装
100 mL in glass bottle

Sigma Aldrich - W244503

包装
1 kg in aluminum bottle
1 sample in glass bottle
4, 9, 20 kg in steel drum

Sigma Aldrich - E39600

包装
500 mL in glass bottle

Toronto Research Chemicals - E925180

A component from essential oil of natural hawthorn perfume.

参考文献

• Mau, J., et al.: J. Agric. Food Chem., 49, 183 (2001)
• Paine, A., et al.: Hum. Exp. Toxicol., 20, 563 (2001)
• Apostolopoulou, A., et al.: Food Control., 16, 157 (2001)