| Theobromine Basic information |
| Product Name: |
Theobromine |
| Synonyms: |
3,7-dihydro-3,7-dimethyl-1h-purine-6-dione;3,7-Dimethyl-3,7-dihydro-1H-purine-2,6-dione;3,7-dimethyl-xanthin;6-dione,3,7-dihydro-3,7-dimethyl-1H-Purine-2;Diurobromine;Santheose;SC 15090;sc15090 |
| CAS: |
83-67-0 |
| MF: |
C7H8N4O2 |
| MW: |
180.16 |
| EINECS: |
201-494-2 |
| Product Categories: |
standardized herbal extract;Heterocycles, Metabolites & Impurities, Pharmaceuticals, Intermediates & Fine Chemicals;Heterocyclic Compounds;Alkaloids;THESODATE;Isolabel;Alkaloids (Others);Biochemistry;Heterocycles;Intermediates & Fine Chemicals;Metabolites & Impurities;Pharmaceuticals;chemical reagent;Inhibitors;Alkaloid;Building Blocks;Chemical Synthesis;Heterocyclic Building Blocks;Nutrition Research;Phytochemicals by Chemical Classification;Purines;pharmaceutical intermediate;phytochemical;reference standards from Chinese medicinal herbs (TCM). |
| Mol File: |
83-67-0.mol |
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| Theobromine Chemical Properties |
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| Theobromine Usage And Synthesis |
| Chemical Properties |
white to light yellow crystal powder |
| Chemical Properties |
A methyl xanthine similar to . Theobromine has a bitter taste. |
| Occurrence |
Reported found in cocoa bean, cocoa powder, cola nut and tea. |
| Uses |
A metabolite of |
| Uses |
diuretic, bronchodilator, cardiotonic |
| Definition |
ChEBI: A dimethylxanthine having the two methyl groups located at positions 3 and 7. It is a purine alkaloid derived from cocoa tree. |
| General Description |
Odorless white crystalline powder. Bitter taste. pH (saturated solution in water): 5.5-7. |
| Air & Water Reactions |
Insoluble in water. |
| Reactivity Profile |
Theobromine may be sensitive to prolonged exposure to light. Theobromine has weakly acidic properties, combining with bases to forms salts. Theobromine also has even weaker basic properties, combining with acids to form salts which are decomposed in aqueous solution. . |
| Hazard |
Toxic by ingestion. Questionable carcinogen. |
| Fire Hazard |
Flash point data for Theobromine are not available; however, Theobromine is probably combustible. |
| Safety Profile |
Poison by ingestion. Moderately toxic by subcutaneous route. An experimental teratogen. Human systemic effects by ingestion: central nervous system and gastrointestinal changes. Experimental reproductive effects. Human mutation data reported. When heated to decomposition it emits toxic fumes of NOx. Used as a diuretic, smooth muscle relaxant, cardiac stimulant, and vasoddator. |
| Purification Methods |
It crystallises from H2O. Its solubility in H2O is 0.06% at 15o and 1.25% at 100o, and it is poorly soluble in organic solvents. It forms salts with heavy metals and is a diuretic, vasodilator and a cardiac stimulant. [Lister Purines Part II, Fused Pyrimidines Brown Ed, Wiley-Interscience pp254-225 1971, ISBN 0-471-38205-1, Beilstein 26 H 457, 26 I 135, 26 II 264, 26 III/IV 2336.] |
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| Theobromine Preparation Products And Raw materials |
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