| Formula / Notation | C7H8N4O2 |
|---|---|
| CAS Number | 83-67-0 |
| Molecular Weight | 180.16 |
| Melting Point | 675 °F (NTP, 1992) |
| Boiling Point | Sublimes at 554-563 °F (NTP, 1992) |
| Density | 1.522 g/cu cm at 20 °C; relative density: 1.522 at 20 °C |
| Solubility | less than 1 mg/mL at 64 °F (NTP, 1992) |
| Appearance | Theobromine is an odorless white crystalline powder. Bitter taste. pH (saturated solution in water): 5.5-7. (NTP, 1992) |
| Also Known As | 3,7-dimethylpurine-2,6-dione; 83-67-0; 3,7-Dimethylxanthine; Diurobromine; Theosalvose; Santheose; Teobromin; Theostene; 3,7-Dimethyl-3,7-dihydro-1H-purine-2,6-dione; Thesal |
| Category | Organic Compounds |
What is Theobromine?
Theobromine is a dimethylxanthine having the two methyl groups located at positions 3 and 7. A purine alkaloid derived from the cacao plant, it is found in chocolate, as well as in a number of other foods, and is a vasodilator, diuretic and heart stimulator. It has a role as a bronchodilator agent, a vasodilator agent, an adenosine receptor antagonist, a mouse metabolite, a plant metabolite, a food component and a human blood serum metabolite.
Formula & Notation
IUPAC Name: 3,7-dimethylpurine-2,6-dione
Other Names / Synonyms: 3,7-dimethylpurine-2,6-dione; 83-67-0; 3,7-Dimethylxanthine; Diurobromine; Theosalvose; Santheose; Teobromin; Theostene; 3,7-Dimethyl-3,7-dihydro-1H-purine-2,6-dione; Thesal
Properties & Characteristics
Physical Data
| Property | Value |
|---|---|
| Melting Point | 675 °F (NTP, 1992) |
| Boiling Point | Sublimes at 554-563 °F (NTP, 1992) |
| Density | 1.522 g/cu cm at 20 °C; relative density: 1.522 at 20 °C |
| Molecular Weight | 180.16 |
| Solubility | less than 1 mg/mL at 64 °F (NTP, 1992) |
| Appearance | Theobromine is an odorless white crystalline powder. Bitter taste. pH (saturated solution in water): 5.5-7. (NTP, 1992) |
Uses & Applications
Safety Information
Always consult the SDS/MSDS before handling any chemical. This information is for educational purposes only.
Key Facts
Frequently Asked Questions
Theobromine is a dimethylxanthine having the two methyl groups located at positions 3 and 7. A purine alkaloid derived from the cacao plant, it is found in chocolate, as well as in a number of other foods, and is a vasodilator, diuretic and heart stimulator. It has a role as a bronchodilator agent, a vasodilator agent, an adenosine receptor antagonist, a mouse metabolite, a plant metabolite, a food component and a human blood serum metabolite.
Used as an industrial feedstock, solvent, pharmaceutical intermediate, flavoring agent, or chemical building block.
Flammable or irritant. Many organic compounds are flammable liquids or vapours. Keep away from ignition sources. Consult SDS for specific hazard data.
The formula or notation for Theobromine is: C7H8N4O2