(2H3)oxiran-2-yl(2H2)methanol

• ChemBase编号: 169740
• 分子式: C3H6O2
• 平均质量: 74.07854
• 单一同位素质量: 74.03677943
• SMILES: C1C(O1)CO
• Canonical SMILES: OCC1CO1
• InChI: InChI=1S/C3H6O2/c4-1-3-2-5-3/h3-4H,1-2H2
• InChIKey: CTKINSOISVBQLD-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: (^2H₃)oxiran-2-yl(^2H₂)methanol
• IUPAC传统名: (^2H₃)oxiran-2-yl(^2H₂)methanol
• 别名: 2-Oxiranemethanol-d5; 2,3-Epoxy-1-propanol-d5; Oxiranemethanol-d5; (RS)-Glycidol-d5; (+/-)-2,3-Epoxy-1-propanol-d5; (+/-)-Glycidol-d5; 1-Hydroxy-2,3-epoxypropane-d5; 2-(Hydroxymethyl)oxirane-d5; Epihydrin-d5 Alcohol; Epiol OH-d5; Glycide-d5; Glycidyl-d5 Alcohol; NSC 46096-d5; Oxiran-2-ylmethanol-d5; Oxiranylmethanol-d5; Racemic Glycidol-d5; dl-Glycidol-d5; Glycidol-d5

登记号

• PubChem SID: 162263872
• PubChem CID: 71317136

理论计算性质

• Acid pKa: 14.602878
• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -0.67731047
• LogD (pH = 7.4): -0.67731047
• Log P: -0.67731047
• 摩尔折射率: 17.006 cm^3
• 极化性: 6.8989635 Å^3
• 极化表面积: 29.46 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: Chloroform
• 外观: Clear Colourless Oil

安全信息

• 保存条件: Hygroscopic, -20°C Freezer, Under Inert Atmosphere

详细说明

Toronto Research Chemicals - G615702

Labelled Glycidol. Stabilizer in manufacturing of vinyl polymers; intermediate in synthesis of glycerol, glycidyl ethers, and amines; additive for oil and synthetic hydraulic fluids; epoxy resin diluent.

参考文献

• Hiles, R.A., et al.: Food Cosmet. Toxicol., 19, 347 (1981)
• Thompson, E.D., et al.: Food Chem. Toxicol., 22, 665 (1981)