PRODUCT Properties
| Melting point: | ≥300 °C |
| Boiling point: | 349.7°C (rough estimate) |
| Density | 1.3649 (rough estimate) |
| refractive index | 1.6590 (estimate) |
| storage temp. | Refrigerator |
| solubility | DMSO (Slightly, Heated), Methanol (Slightly, Heated) |
| form | Solid |
| pka | 5.85±0.70(Predicted) |
| color | White to Pale Beige |
| Water Solubility | 24mg/L(room temperature) |
| InChI | InChI=1S/C8H10N4O3/c1-10-4-5(9-7(10)14)11(2)8(15)12(3)6(4)13/h1-3H3,(H,9,14) |
| InChIKey | BYXCFUMGEBZDDI-UHFFFAOYSA-N |
| SMILES | N1(C)C2=C(N(C)C(=O)N(C)C2=O)NC1=O |
Description and Uses
1,3,7-Trimethyluric Acid is a caffeine derivative, and a methyl derivative of uric acid. Detected as a urine marker of caffeine consumption.
Safety
| WGK Germany | 2 |
| RTECS | UP0783750 |
