1.02584

Caffeine

EMPROVE^® ESSENTIAL Ph Eur,BP,USP

• Synonym(s): Caffeine, 7-Methyltheobromine, 1,3,7-Trimethylxanthine, 3,7-Dihydro-1,3,7-trimethyl-1H-purine-2,6-dione
• Empirical Formula (Hill Notation): C₈H₁₀N₄O₂
• CAS Number: 58-08-2
• Molecular Weight: 194.19
• MDL number: MFCD00005758
• UNSPSC Code: 12352115
• EC Index Number: 200-362-1

Properties

• Agency: BP; Ph. Eur.; USP
• Quality Level: 500
• vapor pressure: 20 hPa ( 80 °C)
• product line: EMPROVE^® ESSENTIAL
• Assay: 98.5-101.0% (HPLC); 98.5-101.0% (perchloric acid titration)
• form: crystalline powder
• autoignition temp.: >600 °C
• potency: 367.7 mg/kg LD₅₀, oral (Rat)
• technique(s): API processing | cocrystal formation: suitable
• pH: 5.5-6.5 (20 °C, 10 g/L in H₂O)
• mp: 235-239 °C
• solubility: 20 g/L
• density: 1.23 g/cm³ at 18 °C
• application(s): pharmaceutical
• storage temp.: 2-30°C
• SMILES string: [n]1(c2c(nc1)N(C(=O)N(C2=O)C)C)C
• InChI: 1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3
• InChI key: RYYVLZVUVIJVGH-UHFFFAOYSA-N

Description

General description

We offer a range of high quality critical raw materials, solvents and reagents plus the documentation and expertise to meet stringent regulatory requirements. In addition to our comprehensive portfolio, we also offer custom manufacturing services to meet your exact needs. As part of our EMPROVE^® Program, our raw materials are offered with extensive documentation facilitating compliance of your pharma and biopharma product, full supply chain transparency and risk mitigation. Our SAFC^® portfolio of high-quality products for biopharmaceutical and pharmaceutical formulation and production withstands strict quality control procedures and is produced according to applicable cGMP guidelines.

Application

Caffeine Emprove^® Essential is suitable for pharmaceutical applications.

Legal Information

Emprove is a registered trademark of Merck KGaA, Darmstadt, Germany

SAFC is a registered trademark of Merck KGaA, Darmstadt, Germany

Safety Information

• Pictograms: GHS07
• Signal Word: Warning
• Hazard Statements: H302
• Precautionary Statements: P264 - P270 - P301 + P312 - P501
• Hazard Classifications: Acute Tox. 4 Oral
• Storage Class Code: 11 - Combustible Solids
• WGK: WGK 1