愈创木酚 HPLC≥98%
Guaiacol
品牌：桔子
产品编号：B21607
CAS号：90-05-1
分子式：C7H8O2
分子量：124.139
MDL：MFCD00002185
| 产品名称 : | 愈创木酚 |
|---|---|
| 英文名称 : | Guaiacol |
| 参考名称 : | 2-甲氧基苯酚 |
| 参考英文名称 : | 2-Methoxyphenol |
| CAS号 : | 90-05-1 |
| 分子式 : | C7H8O2 |
| 分子量 : | 124.139 |
| SMILES : | COC1=CC=CC=C1O |
| MDL NO : | MFCD00002185 |
| PubChem CID : | 460 |
| InChIKey : | LHGVFZTZFXWLCP-UHFFFAOYSA-N |
| 储存条件 : | RT,避光&&2-8℃ |
实验性质
| 外观 / 形态 : | Colourless to amber crystals, powerful, smoke-like, somewhat medicinal odour；O-methoxyphenol appears as colorless to amber crystals or liquid. Density (of solid) 1.129 g / cm3. Solidifies at 28 °C (82.4 °F), but may remain liquid for a long time even at a much lower temperature. Slightly water soluble. Soluble in aqueous sodium hydroxide. Used medicinally as an expectorant. Used, because of its anti-oxidant properties, as an anti-skinning agent for paints.；Other Solid；Solid；White or slightly yellow solid or colorless to yellowish liquid; Darkened by light and air; solidifies at 28 deg C (may remain liquid at lower temperatures); [Merck Index] Solid or liquid; mp = 32 deg C; [HSDB] Low melting solid; mp = 28-29 deg C; [MSDSon |
|---|---|
| 颜色 / 形态 : | Faintly yellowish, limpid, oily liquid or yellow crystals；White or slightly yellow crystalline mass or colorless to yellowish, very refractive liquid；Hexagonal prisms |
| 熔点 : | 28 °C；32 °C；SOLIDIFIES at 82.4 °F (NTP, 1992) |
| 沸点 : | 203-206 °C；205 °C；399 to 403 °F at 760 mmHg (NTP, 1992) |
| 密度 : | 1.1287 g/cu cm at 21 °C；1.129-1.140；1.13 at 70.5 °F (NTP, 1992) - Denser than water; will sink |
| 折射率 : | 1.540-1.545；Index of refraction: 1.5429 at 20 °C/D |
| 闪点 : | 180 °F (NTP, 1992)；180 °F (open cup) |
| 溶解性 : | Soluble in carbon tetrachloride；Miscible with alcohol, chloroform, ether, oils, glacial acetic acid; slightly soluble in petroleum ether; soluble in sodium hydroxide solution；1 g /o-methoxyphenol/ is soluble in 60-70 mL water, in 1 mL glycerol；In water 18,700 mg/L at 25 °C |
| 蒸气压 : | 0.1 [mmHg]；0.103 mm Hg 25 °C；5 mmHg at 174 °F (NTP, 1992) |
| 解离常数 pKa : | pKa = 9.98 |
| LogP : | 1.32；log Kow = 1.32 |
| 热分解说明 : | When heated to decomposition material emits acrid smoke and irritating fumes. |
| 气味 : | Aromatic odor；CHARACTERISTIC SWEET ODOR, SLIGHTLY PHENOLIC |
计算性质
| LogP : | 1.3 |
|---|---|
| 极性表面积 (TPSA) : | 29.5 Ų |
| 氢键供体数 : | 1 |
| 氢键受体数 : | 2 |
| 可旋转键数 : | 1 |
| 精确质量 : | 124.052429494 Da |
| 重原子数 : | 9 |
| 分子复杂度 : | 83 |
资料来源：愈创木酚产品资料页；来源页标注 PubChem CID 460，资料日期 2026-10-11。
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