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Theobromine

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Identification
Molecular formula
C7H8N4O2
CAS number
83-67-0
IUPAC name
8-methoxy-1,3,7-trimethyl-purine-2,6-dione
State
State

At room temperature, theobromine exists as a solid. It is usually found in the form of a fine powder.

Melting point (Celsius)
357.00
Melting point (Kelvin)
630.15
Boiling point (Celsius)
290.00
Boiling point (Kelvin)
563.15
General information
Molecular weight
180.16g/mol
Molar mass
180.1640g/mol
Density
1.5000g/cm3
Appearence

Theobromine appears as a colorless to white crystalline powder. It is odorless and has a bitter taste.

Comment on solubility

Solubility of 8-Methoxy-1,3,7-trimethyl-purine-2,6-dione

The solubility of 8-methoxy-1,3,7-trimethyl-purine-2,6-dione can be described as follows:

  • Solvent Dependency: Its solubility varies significantly depending on the solvent used. It tends to dissolve more readily in polar solvents due to its functional groups.
  • Temperature Influence: As is common with many organic compounds, increased temperature generally enhances solubility, allowing the compound to dissolve more easily.
  • pH Sensitivity: The solubility might be affected by the pH of the solution, illustrating how aqueous environments can change the compound's behavior.
  • Solubility Limits: Typical solubility values are not extensively documented, but it is recognized that low solubility can occur in non-polar solvents, reflecting its organic nature.
  • Practical Applications: Understanding its solubility is crucial for practical applications, such as drug formulation, where solubility influences bioavailability.

In summary, while detailed quantitative solubility data may not be readily available for 8-methoxy-1,3,7-trimethyl-purine-2,6-dione, its solubility characteristics are influenced by various factors including solvent type, temperature, and pH. These factors play a significant role when considering this compound in scientific and industrial applications.

Interesting facts

Exploring 8-Methoxy-1,3,7-trimethyl-purine-2,6-dione

8-Methoxy-1,3,7-trimethyl-purine-2,6-dione, commonly known as theobromine, is an intriguing compound primarily found in cocoa beans and tea leaves. Over the years, it has attracted the attention of researchers due to its unique properties and potential health benefits.

Interesting Facts:

  • Caffeine's Relative: Theobromine is chemically related to caffeine, sharing a similar structure and aromatic properties, yet it exhibits milder stimulant effects.
  • Health Benefits: Studies suggest that theobromine may help improve cardiovascular health, decrease inflammation, and even act as a cough suppressant.
  • Chocolate's Key Ingredient: As one of the primary alkaloids in chocolate, theobromine contributes to the pleasurable experience of consuming chocolate and is thought to enhance mood.
  • Animal Interactions: While it can be beneficial for humans, theobromine is toxic to certain animals, particularly dogs, due to their inability to metabolize it effectively.
  • Relaxing Effects: Unlike caffeine, which can induce jitters, theobromine tends to promote relaxation and can act as a mild muscle relaxant.

Overall, theobromine is not only a fascinating compound from a chemical standpoint but also plays a significant role in our culinary delights and health. Its dual nature as both a stimulant and relaxer highlights the complexity of the compounds that nature offers.

Synonyms
8-Methoxycaffeine
Methoxycaffeine
569-34-6
8-methoxy-1,3,7-trimethylpurine-2,6-dione
CAFFEINE, 8-METHOXY-
8-Methoxy-1,3,7-trimethylxanthine
NSC-8808
3UR74I2980
1H-Purine-2,6-dione, 3,7-dihydro-8-methoxy-1,3,7-trimethyl-
8-Methoxy-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione
NSC 8808
EINECS 209-312-3
BRN 0384756
UNII-3UR74I2980
starbld0008883
METHOXYCAFFEINE, 8-
5-26-15-00080 (Beilstein Handbook Reference)
SCHEMBL2386923
DTXSID20205434
NSC8808
HMS1757C06
AKOS002528744
NS00033607
Q27258049
Z56919066
1H-Purine-2, 3,7-dihydro-8-methoxy-1,3,7-trimethyl-
8-Methoxy-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione #