English name: Theobromine
CAS number: 83-67-0
Molecular formula: C7H8N4O2
Molecular weight: 180.16
EINECS number: 201-494-2
MDL No. : MFCD00022830
Stats
Melting point 345-350 °C
Boiling point 312.97°C (rough estimate)
Density 1.50
FEMA3591 | THEOBROMINE
Refractive index 1.6700 (estimate)
Flash point 290-295°C
Storage conditions Inert atmosphere,Room Temperature
Solubility H2O: slightly soluble
Acidity coefficient (pKa)7.89(at 18℃)
Form solid
Color white
The Odor was odorless
The water is slightly soluble, <0.1 g/100 mL at 18 ºC
Sublimation point 290-295 ºC
Merck14, 9282
BRN16464
InChIKeyYAPQBXQYLJRXSA-UHFFFAOYSA-N
LogP - 0.78 -
Safety information
hazard symbol (GHS)GHS hazard pictogramsGHS hazard pictograms
GHS07,GHS08
Warning word
Hazard Description H302-H319-H351
Precautions P201-P202-P264-P301+P312-P305+P351+P338-P308+P313
Danger category code 22-36/37/38-39/23/24/25-23/24/25-11
Safety Instructions 22-24/25-36-26-45-36/37-16-7
Dangerous goods transport number UN1230-class 3-PG 2-Methanol, solution
WGK Germany1
RTECS number XH2275000
F10-23
TSCAYes
Customs Code 29399990
China
