Description | |
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Catalogue Number | 102584 |
Synonyms | 7-Methyltheobromine, 1,3,7-Trimethylxanthine, 3,7-Dihydro-1,3,7-trimethyl-1H-purine-2,6-dione |
Product Information | |
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CAS number | 58-08-2 |
EC index number | 613-086-00-5 |
EC number | 200-362-1 |
Grade | Ph Eur,BP,USP |
Hill Formula | C₈H₁₀N₄O₂ |
Molar Mass | 194.19 g/mol |
HS Code | 2939 30 00 |
Structure formula Image |
Physicochemical Information | |
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Density | 1.23 g/cm3 (18 °C) |
Ignition temperature | >600 °C |
Melting Point | 235 - 239 °C |
pH value | 5.5 - 6.5 (10 g/l, H₂O, 20 °C) |
Vapor pressure | 20 hPa (80 °C) |
Bulk density | 220 kg/m3 |
Solubility | 20 g/l |
Toxicological Information | |
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LD 50 oral | LD50 Rat 367.7 mg/kg |
Safety Information according to GHS | |
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Hazard Pictogram(s) | |
Hazard Statement(s) | H302: Harmful if swallowed. |
Signal Word | Warning |
Storage class | 10 - 13 Other liquids and solids |
WGK | WGK 1 slightly water endangering |
Disposal | 3 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. |
Safety Information | |
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Hazard Symbols | Harmful |
Categories of danger | harmful |
R Phrase | R 22 Harmful if swallowed. |
Storage and Shipping Information | |
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Storage | Store at +15°C to +25°C. |
Transport Information | |
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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 |
Specifications | |
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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 |
Sulphate (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) | ≤ 0.1 % |
Chromatographic purity (USP) (Highest single impurity) | ≤ 0.10 % |
Chromatographic purity (USP) (Sum of all impurities) | ≤ 0.1 % |
Theophylline (HPLC) | ≤ 0.10 % |
Other residual solvents (Ph.Eur./USP/ICH) | excluded by production 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 |