| Identification | |
| Name: | 1H-Purine-2,6-dione,3,7-dihydro-3,7-dimethyl- |
| Synonyms: | Theobromine(8CI);3,7-Dimethyl-3,7-dihydro-1H-purine-2,6-dione;3,7-Dimethylxanthine;Diurobromine;NSC 5039;SC 15090;Santheose;Teobromin;Theosalvose;Theostene;Thesal; |
| CAS: | 83-67-0 |
| EINECS: | 201-494-2 |
| Molecular Formula: | C7H8N4O2 |
| Molecular Weight: | 180.16 |
| InChI: | InChI=1/C7H8N4O2/c1-10-3-8-5-4(10)6(12)9-7(13)11(5)2/h3H,1-2H3,(H,9,12,13) |
| Molecular Structure: |  |
| Properties | |
| Transport: | OTH |
| Boiling Point: | Sublimes 290-295 deg C |
| Density: | 1.50 |
| Stability: | Stable under normal temperatures and pressures. |
| Refractive index: | 1.737 |
| Water Solubility: | slightly soluble, |
| Solubility: | Very soluble |
| Appearance: | white to yellow crystalline powder |
| Specification: |
Theobromine (83-67-0) is almost insoluble in water, 95% ethanol, benzene, ethyl ether, chloroform, carbon tetrachloride, slightly soluble in boiling water, soluble in concentrated acid, sodium hydroxide solution, ammonia solution. |
| Storage Temperature: | Keep container closed when not in use. Store in a cool, dry area away from incompatible substances. |
| Color: | white |
| Usage: | A metabolite of Caffeine |
| Safety Data | |
| Hazard Symbols |
Xn:Harmful
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