1.02584 SAFC



Synonym: 7-Methyltheobromine, 1,3,7-Trimethylxanthine, 3,7-Dihydro-1,3,7-trimethyl-1H-purine-2,6-dione

  • CAS Number 58-08-2

  • Linear Formula C₈H₁₀N₄O₂

  • Molecular Weight 194.19 g/mol

  •  EC Number 200-362-1



Related Categories Biochemicals and Reagents, Excipients for Solid Formulation, Process Development and Manufacturing, Small Molecule Pharmaceutical Manufacturing
grade   Ph Eur,BP,USP
packaging   1 kg in Plastic bottle (1025841000)
  50 kg in Fibre carton (1025849050)
vapor pressure   20 hPa (80 °C)
solubility   20 g/l
density   1.23 g/cm3 (18 °C)
autoignition temp.   >600 °C
mp   235 - 239 °C
pH   5.5 - 6.5 (10 g/l, H₂O, 20 °C)
bulk density   220 kg/m3
LD 50 oral   LD50 Rat 367.7 mg/kg
shipped in   ambient
storage temp.   Store at +15°C to +25°C.
specifications   Assay (perchloric acid titration, calculated on dried substance): 98.5 - 101.0 %
  Assay (HPLC): 98.5 - 101.0 %
  Identity: passes test
  Appearance of solution (1 %; water): passes test
  Acidic substances: passes test
  Sulfate (SO₄): ≤ 0.0500 %
  Fe (Iron): ≤ 130 ppm
  Heavy metals (as Pb): ≤ 0.001 %
  Chloroform (HS-GC): ≤ 60 ppm
  Related substances (HPLC, EP) (Highest single impurity): ≤ 0.10 %
  Related substances (HPLC, EP) (Sum of all impurities): ≤ 0.10 %
  Chromatographic purity (USP) (Highest single impurity): ≤ 0.1 %
  Chromatographic purity (USP) (Sum of all impurities): ≤ 0.1 %
  Theophylline (HPLC): ≤ 0.10 %
  Other residual solvents (ICH Q3C): excluded by the manufacturing process
  Sulfated ash: ≤ 0.1 %
  Loss on Drying (105 °C): ≤ 0.5 %
  Elemental impurity specifications have been set considering ICH Q3D (Guideline for Elemental Impurities). Class 1-3 elements are not likely to be present above the ICH Q3D option 1 limit, unless specified and indicated (*).
  Corresponds to Ph Eur, BP, USP
Safety & Documentation

Safety Information

HS Code 
2939 30 00
Hazard Statement(s) 
H302: Harmful if swallowed.
Precautionary Statement(s) 
P264: Wash hands thoroughly after handling.
P270: Do not eat, drink or smoke when using this product.
P301 + P312 + P330: IF SWALLOWED: Call a POISON CENTER/doctor if you feel unwell. Rinse mouth.
P501: Dispose of contents/ container to an approved waste disposal plant.
Signal Word 
Storage class 
10 - 13 Other liquids and solids
WGK 1 slightly hazardous to water
Relatively unreactive organic reagents should be collected in container A. If halogenated, they should be collected in container B. For solid residues use container C.
Hazard Pictogram(s) 
GHS07  GHS07
Hazard Symbols 
Harmful  Harmful
Declaration (railroad and road) ADR, RID 
Kein Gefahrgut
Declaration (transport by air) IATA-DGR 
No Dangerous Good
Declaration (transport by sea) IMDG-Code 
No Dangerous Good
Categories of danger 
R Phrase 
R 22
Harmful if swallowed.
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