ethyl 2-ethoxy-2-hydroxyacetate

• ChemBase编号: 168083
• 分子式: C6H12O4
• 平均质量: 148.15708
• 单一同位素质量: 148.07355886
• SMILES: C(C(=O)OCC)(O)OCC
• Canonical SMILES: CCOC(=O)C(OCC)O
• InChI: InChI=1S/C6H12O4/c1-3-9-5(7)6(8)10-4-2/h5,7H,3-4H2,1-2H3
• InChIKey: PGALUWKYZXVZMU-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: ethyl 2-ethoxy-2-hydroxyacetate
• IUPAC传统名: ethyl 2-ethoxy-2-hydroxyacetate
• 别名: Ethoxyhydroxy-acetic Acid Ethyl Ester; Ethyl 2-Ethoxyglycolate; Ethyl Ethoxyhydroxyacetate; Ethyl Glyoxylate Hemiacetal; Glyoxylic Acid Ethyl Ester Ethyl Gemiacetal; NSC 25308; Ethyl 2-Ethoxy-2-hydroxyacetateDISCONTINUED

登记号

• CAS号: 49653-17-0
• PubChem SID: 162262215
• PubChem CID: 95630

理论计算性质

• Acid pKa: 9.93765
• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): 0.17328718
• LogD (pH = 7.4): 0.1720468
• Log P: 0.17330302
• 摩尔折射率: 34.5618 cm^3
• 极化性: 13.964547 Å^3
• 极化表面积: 55.76 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: Chloroform; Ethanol; Methanol
• 外观: Colourless Oil
• 沸点: 100-120°C/Oil Pump