English name: Caffeine acid
CAS number: 331-39-5
Molecular formula: C9H8O4
Molecular weight: 180.16
EINECS number: 206-361-2
MDL No.:MFCD00004392
attribute
Melting point 211-213 ° C (dec.) (lit.)
Boiling point 272.96 ° C (rough estimate)
Density 1.2933 (rough estimate)
Refractive index 1.4500 (estimate)
Storage conditions 2-8 ° C
Solubility ethanol: 50 mg/mL
Form powder
Acidity coefficient (pKa) 4.58 ± 0.10 (Predicted)
Color yellow to tan
Water solubility in hot water
Merck14,1635
BRN2210883
Stability is stable Combustible. Incompatible with strong oxidizing agents, strong bases.
InChIKeyQAIPRVGONGVQAS-DUXPYHPUSA-N
LogP1.150