[dimethoxy(phenyl)methyl]benzene

• ChemBase编号: 301873
• 分子式: C15H16O2
• 平均质量: 228.28634
• 单一同位素质量: 228.11502975
• SMILES: COC(c1ccccc1)(c1ccccc1)OC
• Canonical SMILES: COC(c1ccccc1)(c1ccccc1)OC
• InChI: InChI=1S/C15H16O2/c1-16-15(17-2,13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12H,1-2H3
• InChIKey: NYRVXYOKUZSUDA-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: [dimethoxy(phenyl)methyl]benzene
• IUPAC传统名: [dimethoxy(phenyl)methyl]benzene
• 别名: 苯甲酮二甲基缩酮; Benzophenone dimethyl ketal; Dimethoxydiphenylmethane; Benzophenone dimethyl acetal

登记号

• CAS号: 2235-01-0
• EC号: 218-788-1
• MDL号: MFCD00025900
• Beilstein号: 2051419

理论计算性质

• LogD (pH = 7.4): 4.086705
• Log P: 4.086705
• 摩尔折射率: 68.1264 cm^3
• 极化性: 26.833681 Å^3
• 极化表面积: 18.46 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true
• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 4.086705

分子性质

理化性质

• 熔点: 104-108°C
• 沸点: 290°C

安全信息

• 保存注意事项: Moisture Sensitive
• TSCA收录: 否

产品相关信息

• 纯度: 98+%

参考文献

• Has been used in the presence of tosic acid for the protection of diols as their 2,2-diphenyl-1,3-dioxolanes. The group was selectively cleaved with Li metal in liquid ammonia: Tetrahedron, 51, 5315 (1995).