Introduction
Caffeine anhydrous (CAS: 58-08-2) is a crystalline xanthine alkaloid widely used in laboratory research as a model stimulant compound. While most people know caffeine as the energy booster in coffee, in research it plays a crucial role in analytical chemistry, spectroscopy, and educational experiments.
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Properties
| Parameter | Value |
|---|---|
| Formula | C8H10N4O2 |
| Molecular weight | 194.19 g/mol |
| CAS | 58-08-2 |
| Melting point | 235–238 °C |
| Appearance | White crystalline powder |
| Solubility | Soluble in water and ethanol |

Laboratory Applications
- Analytical standard in chromatography and spectroscopy.
- Education: demonstrates sublimation and recrystallisation in university labs.
- Pharmacological research: reference compound for stimulant mechanisms.
- Comparative studies: often tested alongside Paracetamol – crystalline compound and Phenacetin – educational applications.
Experiments & Tips
🧪 Classic experiment: Compare melting points of crude caffeine extracted from tea leaves vs. pure anhydrous caffeine.
💡 Fact: Due to its consistent crystals, caffeine is often used in NMR calibration.
💡 Tip: Store sealed and dry – caffeine easily absorbs moisture, which alters weighing accuracy.
External links
➡ PubChem – Caffeine
➡ ChemSpider – Caffeine
➡ NIST WebBook – Caffeine
➡ ChEBI – Caffeine
➡ ECHA – Substance Info Caffeine
Chemical Research Writer at CristalChem Academy. Passionate about chemistry, R&D, and turning laboratory insights into global wellness and industrial innovations.