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Caffeine Structure

Caffeine

Chemical Properties

Melting point 234-236.5 °C(lit.)
Boiling point 178°C
Density  1.23
refractive index  1.6590 (estimate)
FEMA  2224 | CAFFEINE
Flash point 178°C
storage temp.  2-8°C
solubility  Sparingly soluble in water, freely soluble in boiling water, slightly soluble in ethanol (96 per cent). It dissolves in concentrated solutions of alkali benzoates or salicylates.
form  Crystals or Crystalline Powder
pka pKa 0.6 (Uncertain)
color  Silky white or white
PH pH (10g/l, 25℃) : 5.5~6.5
Odor at 100.00 %. odorless
Odor Type odorless
Water Solubility  20 g/L (20 ºC)
Sublimation  178 ºC
Merck  14,1636
BRN  17705
Stability Stable. Incompatible with strong acids, strong bases, strong oxidizing agents, iodine, silver salts, tannins. Weakly light sensitive in solution.
LogP -0.07
CAS DataBase Reference 58-08-2(CAS DataBase Reference)
IARC 3 (Vol. 51) 1991
NIST Chemistry Reference Caffeine(58-08-2)
EPA Substance Registry System Caffeine (58-08-2)

Safety Information

Hazard Codes  Xn,T,F
Risk Statements  22-25-39/23/24/25-23/24/25-11
Safety Statements  16-36/37-45-7
RIDADR  UN 1544 6.1/PG 3
WGK Germany  1
RTECS  EV6475000
10
TSCA  Yes
HazardClass  6.1
PackingGroup  III
HS Code  29393000
Hazardous Substances Data 58-08-2(Hazardous Substances Data)
Toxicity LD50 orally in mice, hamsters, rats, rabbits (mg/kg): 127, 230, 355, 246 (males); 137, 249, 247, 224 (females) (Palm)

MSDS

Usage And Synthesis

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