| 融点 |
271-273 °C |
| 沸点 |
312.97°C (rough estimate) |
| 比重(密度) |
1.3640 (rough estimate) |
| 屈折率 |
1.6700 (estimate) |
| 闪点 |
11 °C |
| 貯蔵温度 |
2-8°C |
| 溶解性 |
0.1 M HCl: soluble |
| 外見 |
powder |
| 酸解離定数(Pka) |
8.77(at 25℃) |
| 色 |
white |
| 水溶解度 |
8.3 g/L (20 ºC) |
| Merck |
14,9285 |
| BRN |
13463 |
| Henry's Law Constant |
5.5×108 mol/(m3Pa) at 25℃, HSDB (2015) |
| BCS Class |
3,1 |
| 安定性： |
Stable. Incompatible with strong oxidizing agents. |
| 化粧品成分の機能 |
SKIN CONDITIONING - MISCELLANEOUS |
| InChI |
1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9) |
| InChIKey |
ZFXYFBGIUFBOJW-UHFFFAOYSA-N |
| SMILES |
CN1C(=O)N(C)c2[nH]cnc2C1=O |
| LogP |
-0.020 |
| CAS データベース |
58-55-9(CAS DataBase Reference) |
| IARC |
3 (Vol. 51) 1991 |
| NISTの化学物質情報 |
1,3-Dimethylxanthine(58-55-9) |
| EPAの化学物質情報 |
Theophylline (58-55-9) |
