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Theobromine Structure

Theobromine

Chemical Properties

Melting point 345-350 °C
Boiling point 312.97°C (rough estimate)
Density  1.50
refractive index  1.6700 (estimate)
FEMA  3591 | THEOBROMINE
Flash point 290-295°C
storage temp.  Inert atmosphere,Room Temperature
solubility  H2O: slightly soluble
form  solid
pka 7.89(at 18℃)
color  white
Odor odorless
Water Solubility  slightly soluble, <0.1 g/100 mL at 18 ºC
Sublimation  290-295 ºC
Merck  14,9282
BRN  16464
InChIKey YAPQBXQYLJRXSA-UHFFFAOYSA-N
LogP -0.78
CAS DataBase Reference 83-67-0(CAS DataBase Reference)
Substances Added to Food (formerly EAFUS) THEOBROMINE
EWG's Food Scores 1
NCI Dictionary of Cancer Terms theobromine
FDA UNII OBD445WZ5P
ATC code C03BD01,R03DA07,R03DA57
NIST Chemistry Reference 1H-Purine-2,6-dione, 3,7-dihydro-3,7-dimethyl-(83-67-0)
IARC 3 (Vol. 51) 1991
EPA Substance Registry System Theobromine (83-67-0)

Safety

Symbol(GHS)
Signal wordWarning
Hazard statements H302-H319-H351
Precautionary statements P201-P202-P264-P301+P312-P305+P351+P338-P308+P313
Hazard Codes  Xn,Xi,T,F
Risk Statements  22-36/37/38-39/23/24/25-23/24/25-11
Safety Statements  22-24/25-36-26-45-36/37-16-7
RIDADR  UN1230 - class 3 - PG 2 - Methanol, solution
WGK Germany  1
RTECS  XH2275000
10-23
TSCA  Yes
HS Code  29399990
Hazardous Substances Data 83-67-0(Hazardous Substances Data)
NFPA 704:
1
2 0

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Theobromine Chemical Properties,Usage,Production

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