| Formula / Notation | C8H10N4O2 |
|---|---|
| CAS Number | 58-08-2 |
| Molecular Weight | 194.19 |
| Melting Point | 460 °F (NTP, 1992) |
| Boiling Point | 352 °F at 760 mmHg (sublimes) (NTP, 1992) |
| Density | 1.23 at 64 °F (NTP, 1992) - Denser than water; will sink |
| Solubility | 10 to 50 mg/mL at 73 °F (NTP, 1992) |
| Appearance | Caffeine appears as odorless white powder or white glistening needles, usually melted together. Bitter taste. Solutions in water are neutral to litmus. Odorless. (NTP, 1992) |
| Also Known As | 1,3,7-trimethylpurine-2,6-dione; 58-08-2; Guaranine; 1,3,7-Trimethylxanthine; Methyltheobromine; Theine; Thein; Cafeina; Caffein; Cafipel |
| Category | Organic Compounds |
What is Caffeine?
Caffeine is a trimethylxanthine in which the three methyl groups are located at positions 1, 3, and 7. A purine alkaloid that occurs naturally in tea and coffee. It has a role as a geroprotector, a mutagen, a central nervous system stimulant, a psychotropic drug, a diuretic, a xenobiotic, an EC 3.1.4.* (phosphoric diester hydrolase) inhibitor, an EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor, an adenosine A2A receptor antagonist, an adjuvant, a food additive, a ryanodine receptor agonist, an adenosine receptor antagonist, a mouse metabolite, a plant metabolite, a fungal metabolite, an environmental contaminant and a human blood serum metabolite. It is a purine alkaloid and a trimethylxanthine.
Formula & Notation
IUPAC Name: 1,3,7-trimethylpurine-2,6-dione
Other Names / Synonyms: 1,3,7-trimethylpurine-2,6-dione; 58-08-2; Guaranine; 1,3,7-Trimethylxanthine; Methyltheobromine; Theine; Thein; Cafeina; Caffein; Cafipel
Properties & Characteristics
Physical Data
| Property | Value |
|---|---|
| Melting Point | 460 °F (NTP, 1992) |
| Boiling Point | 352 °F at 760 mmHg (sublimes) (NTP, 1992) |
| Density | 1.23 at 64 °F (NTP, 1992) - Denser than water; will sink |
| Molecular Weight | 194.19 |
| Solubility | 10 to 50 mg/mL at 73 °F (NTP, 1992) |
| Appearance | Caffeine appears as odorless white powder or white glistening needles, usually melted together. Bitter taste. Solutions in water are neutral to litmus. Odorless. (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
Caffeine is a trimethylxanthine in which the three methyl groups are located at positions 1, 3, and 7. A purine alkaloid that occurs naturally in tea and coffee. It has a role as a geroprotector, a mutagen, a central nervous system stimulant, a psychotropic drug, a diuretic, a xenobiotic, an EC 3.1.4.* (phosphoric diester hydrolase) inhibitor, an EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor, an adenosine A2A receptor antagonist, an adjuvant, a food additive, a ryanodine receptor agonist, an adenosine receptor antagonist, a mouse metabolite, a plant metabolite, a fungal metabolite, an environmental contaminant and a human blood serum metabolite. It is a purine alkaloid and a trimethylxanthine.
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 Caffeine is: C8H10N4O2