ethyl (2H27)tetradecanoate

• ChemBase编号: 168692
• 分子式: C16H32O2
• 平均质量: 256.42408
• 单一同位素质量: 256.24023026
• SMILES: C(=O)(CCCCCCCCCCCCC)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 (^2H₂₇)tetradecanoate
• IUPAC传统名: ethyl (^2H₂₇)tetradecanoate
• 别名: Tetradecanoic Acid Ethyl Ester-d27; Myristic Acid Ethyl Ester-d27; Ethyl Tetradecanoate-d27; NSC 8917-d27; Nikkol BM-d27; Ethyl Myristate-d27

登记号

• PubChem SID: 162262824
• PubChem CID: 71316644

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

详细说明

Toronto Research Chemicals - E925183

A labelled 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)