2-(4-methoxyphenyl)ethan-1-ol

• ChemBase编号: 87234
• 分子式: C9H12O2
• 平均质量: 152.19038
• 单一同位素质量: 152.08372962
• SMILES: OCCc1ccc(cc1)OC
• Canonical SMILES: OCCc1ccc(cc1)OC
• InChI: InChI=1S/C9H12O2/c1-11-9-4-2-8(3-5-9)6-7-10/h2-5,10H,6-7H2,1H3
• InChIKey: AUWDOZOUJWEPBA-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(4-methoxyphenyl)ethan-1-ol
• IUPAC传统名: 2-(4-methoxyphenyl)ethanol
• 别名: 2-(4-甲氧基苯基)乙醇; 2-(4-甲氧基苯基)乙醇; 4-甲氧基苯乙醇; 4-Methoxyphenethyl alcohol; 2-(4-Methoxyphenyl)ethanol; 4-Methoxybenzeneethanol; 1-Methoxy-4-(2-hydroxyethyl)benzene; 2-(4-Methoxyphenyl)-1-ethanol; 2-(p-Anisyl)ethanol; 4-Methoxyphenethyl Alcohol; NSC 408325; p-(Methoxyphenyl)ethyl Alcohol; p-Methoxyphenethyl Alcohol; β-(p-Methoxyphenyl)ethanol; 2-(4-Methoxyphenyl)ethanol; 4-Methoxyphenethyl alcohol; 2-(4-methoxyphenyl)ethanol

登记号

• CAS号: 702-23-8
• EC号: 211-866-6
• MDL号: MFCD00002900
• Beilstein号: 2043563
• PubChem SID: 162074350; 24849412
• PubChem CID: 69705

理论计算性质

• Acid pKa: 15.907796
• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 1.3368859
• LogD (pH = 7.4): 1.3368859
• Log P: 1.3368859
• 摩尔折射率: 44.0921 cm^3
• 极化性: 17.06616 Å^3
• 极化表面积: 29.46 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: DMSO; Methanol
• 外观: Pale Yellow Low Melting Solid
• 熔点: 26-28 °C(lit.); 26-28°C; 26-30°C
• 沸点: 334-336 °C(lit.); 334-336°C; 334-336°C
• 闪点: >110°C(230°F); 113 °C; 113°C; 235.4 °F
• 折射率: 1.5370

安全信息

• 保存条件: Refrigerator, Under Inert Atmosphere
• 保存注意事项: Irritant
• 德国WGK号: 3
• TSCA收录: 是
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

产品相关信息

• 纯度: 95+%; 98%; 99%
• 线性分子式: CH3OC6H4CH2CH2OH

详细说明

Sigma Aldrich - 154180

包装
10 g in glass bottle

Toronto Research Chemicals - M266135

It has a flavor and aroma of fresh citrus juice and may be used for perfumes, foods, and cosmetics.

参考文献

• van Dort, H.M.; et al.: J. Agric. Food Chem., 41, 2063 (1993)