2-methyl-2-(propan-2-yloxy)propane

• ChemBase编号: 163450
• 分子式: C7H16O
• 平均质量: 116.20134
• 单一同位素质量: 116.12011513
• SMILES: C(OC(C)(C)C)(C)C
• Canonical SMILES: CC(OC(C)(C)C)C
• InChI: InChI=1S/C7H16O/c1-6(2)8-7(3,4)5/h6H,1-5H3
• InChIKey: HNFSPSWQNZVCTB-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-methyl-2-(propan-2-yloxy)propane
• IUPAC传统名: isopropyl T-butyl ether
• 别名: 2-Methyl-2-(1-methylethoxy)propane; 2-Isopropoxy-2-methylpropane; Isopropyl tert-Butyl Ether; tert-Butyl Isopropyl Ether

登记号

• CAS号: 17348-59-3
• PubChem SID: 162257585
• PubChem CID: 28488

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 1.951892
• LogD (pH = 7.4): 1.951892
• Log P: 1.951892
• 摩尔折射率: 35.9855 cm^3
• 极化性: 14.321115 Å^3
• 极化表面积: 9.23 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

详细说明

Toronto Research Chemicals - B692450

One of the alkyl ethers with tert-Bu groups in their molecules which showed very poor biodegradability, tert-Bu Me ether (MTBE) [1634-04-4] had no effect on the biodegradability of gasoline blended with it. Studies on the biodegradation of several alkyl

参考文献

• Siegemund, B., et al.: Acute Toxicity Data, 1, 200 (1992)