Caffeine
[CAS# 58-08-2]

Identification

• Classification: Organic raw materials >> Hydrocarbon compounds and their derivatives >> Hydrocarbon halide
• Name: Caffeine
• Synonyms: 1,3,7-Trimethylxanthine; 3,7-Dihydro-1,3,7-trimethyl-1H-purine-2,6-dione
• Molecular Formula: C₈H₁₀N₄O₂
• Molecular Weight: 194.19
• CAS Registry Number: 58-08-2
• EC Number: 200-362-1
• FEMA: 2224
• SMILES: CN1C=NC2=C1C(=O)N(C(=O)N2C)C

Properties

• Density: 1.23
• Melting point: 234-239 °C
• Sublimation: 178 °C
• Water solubility: 20 g/L (20 °C)

Safety Data

• Hazard Symbols: GHS07 Warning
• Risk Statements: H302
• Safety Statements: P264-P270-P301+P317-P330-P501

Hazard Classification

Hazard	Class	Category Code	Hazard Statement
Acute toxicity	Acute Tox.	4	H302
Acute toxicity	Acute Tox.	4	H332
Acute toxicity	Acute Tox.	3	H301
Chronic hazardous to the aquatic environment	Aquatic Chronic	3	H412
Reproductive toxicity	Repr.	1A	H360

• Transport Information: UN 1544

Discovery and Applications

Caffeine is a natural stimulant that was first isolated in 1819 by German chemist Friedrich Runge. Runge's work was inspired by the effects coffee had on his own alertness and cognitive function. He named the compound "Kaffein", derived from the German word for coffee, "Kaffee". Caffeine is a xanthine alkaloid found in a variety of plants, including coffee beans, tea leaves, and cocoa pods. It acts as a central nervous system stimulant, primarily by antagonizing adenosine receptors to promote wakefulness and reduce fatigue.

The most widespread application of caffeine is in the beverage industry. It is a key ingredient in coffee, tea, and energy drinks. Its stimulant effects enhance alertness and focus, making it a popular choice for individuals who need to improve cognitive performance.

In medicine, caffeine is used to treat a variety of conditions. It is used in over-the-counter medications for headaches and migraines, often in combination with pain relievers to enhance their effectiveness. In addition, caffeine is used to stimulate breathing in premature infants with breathing problems and to increase the effectiveness of certain asthma treatments.

Caffeine is also used in a variety of foods and cosmetics. In food, it adds flavor and is sometimes used in energy-boosting products. In cosmetics, caffeine is known for its diuretic properties and is included in formulas designed to reduce puffiness and improve skin texture.

In agriculture, caffeine's effects extend to pest control. Its natural insecticidal properties make it useful as a repellent for certain pests in organic farming.

References

1. Synthesis: Zajac, M. A., et al. (2003). "A concise synthesis of caffeine from urocanic acid." Tetrahedron Letters, 44(34), 6381-6384.
DOI: 10.1016/S0040-4039(03)01577-0

2. Applications: Nehlig, A., et al. (1992). "Caffeine and the central nervous system: mechanisms of action, biochemical, metabolic and psychostimulant effects." Brain Research Reviews, 17(2), 139-170.
DOI: 10.1016/0165-0173(92)90012-B

3. Review: Fredholm, B. B., et al. (1999). "Actions of caffeine in the brain with special reference to factors that contribute to its widespread use." Pharmacological Reviews, 51(1), 83-133.