邻甲酚
邻甲酚（英語：，ortho-Cresol，或称为2-甲基苯酚英語：）是结构式为CH3C6H4(OH)的有机化合物，常温下为无色固体，是很多其它化合物合成的中间体。邻甲酚是苯酚的衍生物，同分异构体有对甲酚（p-cresol）和间甲酚（m-cresol）[3]。
| o-Cresol | |||
|---|---|---|---|
| |||
| 系统名 2-Methylbenzenol | |||
| 别名 | 2-Cresol o-Cresol ortho-Cresol 2-Hydroxytoluene o-Cresylic acid 1-Hydroxy-2-methylbenzene | ||
| 识别 | |||
| CAS号 | 95-48-7  | ||
| PubChem | 335 | ||
| ChemSpider | 13835772 | ||
| SMILES |
| ||
| Beilstein | 506917 | ||
| Gmelin | 101619 | ||
| 3DMet | B00313 | ||
| UN编号 | 2076, 3455 | ||
| EINECS | 202-423-8 | ||
| ChEBI | 28054 | ||
| RTECS | GO6300000 | ||
| KEGG | C01542 | ||
| MeSH | 2-Cresol | ||
| 性质 | |||
| 化学式 | C7H8O | ||
| 摩尔质量 | 108.14 g·mol−1 | ||
| 外观 | Colorless to white crystals | ||
| 氣味 | sweet, phenolic odor | ||
| 密度 | 1.0465 g cm−3 | ||
| 熔点 | 31 °C（304 K） | ||
| 沸点 | 191 °C（464 K） | ||
| 溶解性（水） | 31 g dm−3 (at 40 °C) | ||
| 溶解性 | soluble in chloroform, ether, CCl4 | ||
| 溶解性（ethanol） | Miscible (at 30 °C) | ||
| 溶解性（diethyl ether） | Miscible (at 30 °C) | ||
| log P | 1.962 | ||
| 蒸氣壓 | 40 Pa (at 20 °C) | ||
| pKa | 10.316 | ||
| pKb | 3.681 | ||
| 磁化率 | -72.9·10−6 cm3/mol | ||
| 折光度n D |
1.5353 | ||
| 黏度 | 35.06 cP (at 45 °C) | ||
| 热力学 | |||
| ΔfHm |
-204.3 kJ mol−1 | ||
| ΔcHm |
-3.6936 MJ mol−1 | ||
| S |
165.44 J K−1 mol−1 | ||
| 热容 | 154.56 J K−1 mol−1 | ||
| 危险性 | |||
| 警示术语 | R：R24/25, R34 | ||
| 安全术语 | S：S1/2, S36/37/39, S45 | ||
| 欧盟分类 |  T  C | ||
| NFPA 704 |
 2
3
0
| ||
| 爆炸極限 | 1.4%-? (148°C)[1] | ||
| PEL | TWA 5 ppm (22 mg/m3) [skin][1] | ||
| 致死量或浓度： | |||
LD50（中位剂量） |
1350 mg/kg (rat, oral) 121 mg/kg (rat, oral) 344 mg/kg (mouse, oral)[2] | ||
| 若非注明，所有数据均出自一般条件（25 ℃，100 kPa）下。 | |||
参考文献
- NIOSH Pocket Guide to Chemical Hazards 0154
- . Immediately Dangerous to Life and Health Concentrations (IDLH). National Institute for Occupational Safety and Health (NIOSH).
- Helmut Fiegein "Cresols and Xylenols" in Ullmann's Encyclopedia of Industrial Chemistry" 2007; Wiley-VCH, Weinheim. doi:10.1002/14356007.a08_025
外部链接
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