Theobromine

Details:

Product Name: Theobromine Synonyms: 3,7-dihydro-3,7-dimethyl-1h-purine-6-dione;3,7-Dimethyl-3,7-dihydro-1H-purine-2,6-dione;3,7-dimethyl-xanthin;6-dione,3,7-dihydro-3,7-dimethyl-1H-Purine-2;Diurobromine;Santheose;SC 15090;sc15090 CAS: 83-67-0 MF: C7H8N4O2 MW: 180.16 EINECS: 201-494-2 Product Categories: Heterocyclic Compounds;Alkaloids;Alkaloids (Others);Biochemistry;Heterocycles;Intermediates & Fine Chemicals;Metabolites & Impurities;Pharmaceuticals Mol File: 83-67-0.mol Theobromine Chemical Properties mp 345-350 °C density 1.50 FEMA 3591 Fp 290-295°C storage temp. Refrigerator solubility H2O: slightly soluble form solid color white Water Solubility slightly soluble, <0.1 g/100 mL at 18 oC Sublimation 290-295 oC Merck 14,9282 BRN 16464 CAS DataBase Reference 83-67-0(CAS DataBase Reference) NIST Chemistry Reference 1H-Purine-2,6-dione, 3,7-dihydro-3,7-dimethyl-(83-67-0) EPA Substance Registry System 1H-Purine-2,6-dione, 3,7-dihydro-3,7-dimethyl-(83-67-0) Safety Information Hazard Codes Xn,Xi Risk Statements 22-36/37/38 Safety Statements 22-24/25-36-26 WGK Germany 1 RTECS XH2275000 F 10-23 Hazardous Substances Data 83-67-0(Hazardous Substances Data) MSDS Information Provider Language 3,7-Dimethyl-xanthine English SigmaAldrich English ACROS English ALFA English Theobromine Usage And Synthesis Chemical Properties white to light yellow crystal powder Usage A metabolite of Caffeine General Description Odorless white crystalline powder. Bitter taste. pH (saturated solution in water): 5.5-7. Air & Water Reactions Insoluble in water. Reactivity Profile Theobromine may be sensitive to prolonged exposure to light. Theobromine has weakly acidic properties, combining with bases to forms salts. Theobromine also has even weaker basic properties, combining with acids to form salts which are decomposed in aqueous solution. . Fire Hazard Flash point data for Theobromine are not available; however, Theobromine is probably combustible. Theobromine Preparation Products And Raw materials Raw materials Dimethyl sulfate-->Ethyl cyanoacetate-->Methylurea-->2,6-Dihydroxypurine-->oxazine Preparation Products Caffeine-->CHEMBRDG-BB 4023079-->Pentoxifylline