Caffeine (data page)

CAS # 58-08-2

Compound Structure and Properties

Molecular Weight194.1906
Melting Point227–228 °C, 500-501 K (anhydrous)
234–235 °C, 507-508 K (monohydrate)
Boiling Point178 °C, 451 °K, 352 °F
Density1.23 g/cm3, solid
Solubility in Water2.17 g/100 mL (25 °C)
18.0 g/100 mL (80 °C)
67.0 g/100 mL (100 °C)
Data above sourced from: ChemSpider and Wikipedia

GC Mass Spectrum

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Caffeine; Alert-Pep; Cafeina; Caffein; Caffine; Cafipel; Coffeine; Guaranine; Koffein; Mateina; Methyltheobromine; No-Doz; Refresh'n; Stim; Thein; Theine; 1,3,7-Trimethyl-2,6-dioxopurine; 1,3,7-Trimethylxanthine; Cafamil; Cafecon; Caffeine, synthetic; Eldiatric C; Nix Nap; Nodaca; NCI-C02733; Theobromine, 1-methyl-; Theophylline, 7-methyl; Xanthine, 1,3,7-trimethyl; Coffein; Kofein; Organex; Caféine; Caffeina

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