叔丁基对苯二酚 1000μg/ml in ethanol
TBHQ
品牌:桔子
产品编号:B62569
CAS号:1948-33-0
分子式:C10H14O2
分子量:166.22
MDL:MFCD00002344
| 产品名称 : | 叔丁基对苯二酚 |
|---|---|
| 英文名称 : | TBHQ |
| 参考名称 : | 2-(叔丁基)苯-1,4-二酚(may occur to produce black solid) |
| 参考英文名称 : | 2-(tert-Butyl)benzene-1,4-diol(may occur to produce black solid) |
| CAS号 : | 1948-33-0 |
| 分子式 : | C10H14O2 |
| 分子量 : | 166.22 |
| SMILES : | CC(C)(C)C1=C(C=CC(=C1)O)O |
| MDL NO : | MFCD00002344 |
| PubChem CID : | 16043 |
| InChIKey : | BGNXCDMCOKJUMV-UHFFFAOYSA-N |
| 储存条件 : | -20℃ |
实验性质
| 熔点 : | 126.5-128.5 °C |
|---|---|
| 外观 / 形态 : | Dry Powder; Liquid; Wet Solid; Other Solid; Dry Powder;Solid;Tert-butylhydroquinone appears as white to light tan crystalline powder or a fine beige powder. Very slight aromatic odor. (NTP, 1992);White crystalline solid having a characteristic odour;White to light tan solid; [HSDB] Tan powder; [MSDSonline] |
| 颜色 / 形态 : | White to light tan crystalline powder or a fine beige powder;White crystalline solid |
| 沸点 : | 295 °C;563 °F at 760 mmHg (NTP, 1992) |
| 密度 : | 1.05;1.05 (NTP, 1992) - Denser than water; will sink |
| 闪点 : | 171 °C (340 °F) - closed cup;340 °F (NTP, 1992) |
| 溶解性 : | Solubility: 5% in water at 95 °C, 5% in lard at 50 °C;In water, 2000 mg/L at 30 °C (Shake-flask method);Solubility in fats and food-grade solvents is good;(at 25 °C): less than 1% in water, 60% in ethanol, 60% in ethyl acetate, 10% in glyceryl monooleate, 10% in cottonseed oil, 10% in corn oil, 10% in soybean oil, 30% in propylene glycol, 5% in safflower oil;Soluble in acetone, alcohol, ethyl acetate |
| 蒸气压 : | less than 1 mmHg at 68 °F (NTP, 1992) |
| 解离常数 pKa : | pKa = 10.7 at 22 °C |
| 热分解说明 : | When heated to decomposition it emits acrid smoke and irritating fumes. |
| 气味 : | Very slight aromatic odor;Characteristic odor;Very slight odor |
| pH : | pH = 4.56 at 25 °C of a 1% solution of 2-tert-butylhydroquinone |
计算性质
| LogP : | 2.8 |
|---|---|
| 极性表面积 (TPSA) : | 40.5 Ų |
| 氢键供体数 : | 2 |
| 氢键受体数 : | 2 |
| 可旋转键数 : | 1 |
| 精确质量 : | 166.099379685 Da |
| 重原子数 : | 12 |
| 分子复杂度 : | 148 |
资料来源:叔丁基对苯二酚产品资料页;来源页标注 PubChem CID 16043,资料日期 2026-10-11。
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