dodecyl 2-hydroxypropanoate

• ChemBase编号: 172160
• 分子式: C15H30O3
• 平均质量: 258.3969
• 单一同位素质量: 258.21949482
• SMILES: C(C(=O)OCCCCCCCCCCCC)(O)C
• Canonical SMILES: CCCCCCCCCCCCOC(=O)C(O)C
• InChI: InChI=1S/C15H30O3/c1-3-4-5-6-7-8-9-10-11-12-13-18-15(17)14(2)16/h14,16H,3-13H2,1-2H3
• InChIKey: QQQMUBLXDAFBRH-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: dodecyl 2-hydroxypropanoate
• IUPAC传统名: lactic acid dodecylester
• 别名: 2-Hydroxypropanoic Acid Dodecyl Ester; Ceraphyl 31; Chrystap HYL 98; Crodamol LL; Cyclochem LVL; Dodecyl Lactate; Lauryl Lactate; NSC 7752; Pelemol LL; Lactic Acid Dodecyl Ester

登记号

• CAS号: 6283-92-7
• PubChem SID: 164228070
• PubChem CID: 22692

理论计算性质

• Acid pKa: 12.99943
• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 4.554513
• LogD (pH = 7.4): 4.5545115
• Log P: 4.554513
• 摩尔折射率: 74.2905 cm^3
• 极化性: 29.738844 Å^3
• 极化表面积: 46.53 Å^2
• 可自由旋转的化学键: 13
• 里宾斯基五规则: true

详细说明

Toronto Research Chemicals - L113510

An α-alkyl lactate used in nanoemulsions for treating fungal, yeast and mold infections.