Molekula
Caffeine - USP CRS
Supplying 4,500+ customers in over 80 countries
ISO 9001:2015 & ISO 14001:2015 certified · Supplying laboratories and industry since 2000 · Listed pack sizes are a starting point — we manufacture, source and repack to the quantity you need
Caffeine USP CRS is a xanthine alkaloid stimulant widely used in pharmaceuticals, food and beverages, and dietary supplements to enhance alertness, concentration, and metabolic function. It meets USP (United States Pharmacopeia) standards and is suitable for analytical calibration and research applications. Caffeine USP CRS has a CAS number of 58-08-2, a molecular formula of C8H10N4O2, and a molecular weight of 194.19. It is stored at ambient conditions, with a signal word of Warning for safety classification. Molekula supplies Caffeine USP CRS from research to bulk quantities with full documentation and ISO 9001:2015 traceability.
Example image for illustration only. Other packaging and pack sizes are available.
Pricing & pack sizes
Pack sizes & pricing
Pricing on request — packs available from research to bulk quantities.
Need a different quantity or pack?
Tell us how much you need and when — drums, IBCs, sacks or a one-off bulk lot. We'll manufacture or source it and come back with a price.
Prices exclude VAT/sales tax and shipping.
Specifications
| Property | Value |
|---|---|
| Appearance | White crystalline powder/ white crystals |
| Melting Point | 235 - 237.5°C |
| Grade | USP |
| Loss on Drying | ≤ 0.5% |
| Solubility | Conforms to USP solubility requirements: Freely soluble in boiling water;slightly soluble in ethanol. |
| Sulphated Ash | ≤ 0.1% |
| Acidity | ≤ 0.2ml of 0.01M NaOH |
| Total Impurities | ≤ 0.1% |
| Readily Carbonisable Substances | Qualifies |
| Lead (Pb) | ≤ 1ppm |
| Identification (IR) | Conforms to Reference |
| Assay (dried basis) | 98.5 - 101% |
| Sulphates (SO4)(2-) | ≤ 500ppm |
| Other Alkaloids | No precipitate formed |
Storage & handling
| Property | Value |
|---|---|
| Storage Temperature | Ambient |
| Acidity | Neutral |
Literature values
Published physical properties of the substance, not batch specifications.
| Property | Value |
|---|---|
| Appearance | White, prismatic crystals |
| Odour | Odorless |
| Melting Point | 236.2 °C |
| Boiling Point | 178 °C (sublimes) |
| Water Solubility | 21.6 g/L at 25 °C |
| Solubility (other solvents) | Soluble in pyridine |
| Vapour Pressure | 9.0 × 10⁻⁷ mmHg at 25 °C (Extrapolated) |
| pKa | pKa = 14 |
| log P (octanol/water) | -0.07 |
Source: PubChem CID 2519 (HSDB, ICSC, DrugBank)
Identification
| Property | Value |
|---|---|
| SKU | 90033336 |
| CAS Number | 58-08-2 |
| IUPAC Name | 1,3,7-trimethylpurine-2,6-dione |
| EC Number | 200-362-1 |
| Molecular Formula | C8H10N4O2 |
| Molecular Weight | 194.19 |
| Exact Mass | 194.0804 |
| SMILES | CN1C=NC2=C1C(=O)N(C(=O)N2C)C |
| InChIKey | RYYVLZVUVIJVGH-UHFFFAOYSA-N |
| InChI | InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3 |
| PubChem CID | 2519 |
| REACH Code | Y110 |
| TSCA Listed | Yes |
| HTS Code | 29393000 |
| Tariff Code | 293930000000 |
Safety & GHS
-
Health Hazard
GHS07
Hazard statements
- H302 Harmful if swallowed
- H332 Harmful if inhaled
Precautionary statements
- P261 Avoid breathing dust/fume/gas/mist/vapours/spray
- P280 Wear protective gloves/protective clothing/eye protection/face protection
- P301+312 IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell
- P302+352 IF ON SKIN: Wash with soap and water
- P305+351+338 IF IN EYES: Rinse with water for several minutes. Remove contact lenses if present and easy to do. Continue rinsing
Documents
Safety Data Sheets (SDS)
Available in English, French, German, Italian, Russian, Spanish.
Certificate of Analysis (CoA) by batch
Enter a lot or batch number to retrieve the CoA for that specific batch. We can generate one from spec data if no PDF is on file.
Synonyms
- 1,3,7-Trimethylxanthine
- Cafeina
- Caffein
- caffeine
- Cafipel
- Guaranine
- Koffein
- Methyltheobromine
- Thein
- Theine
Frequently asked questions
What is USP CRS grade caffeine used for?
USP CRS grade caffeine is a highly characterized analytical reference standard intended for the specified USP compendial tests and assays, such as identification, assay and calibration in the analysis of caffeine and caffeine-containing products. It is not intended for use as an ingredient in pharmaceutical formulations or dietary supplements.
What is the chemical formula and molecular weight of caffeine?
The chemical formula is C₈H₁₀N₄O₂, and the molecular weight is 194.19 g/mol.
How should caffeine USP CRS be stored?
Store in a tightly sealed container at ambient temperature, away from moisture and direct sunlight.
What documentation comes with an order of caffeine USP CRS?
Each order includes a Certificate of Analysis (CoA), Material Safety Data Sheet (MSDS/SDS), and USP Certificate of Conformance for traceability and compliance.
Can Molekula supply caffeine USP CRS in bulk quantities?
Yes, we offer bulk packaging options for caffeine USP CRS—please contact us for specific quantities and pricing.
Ready to order or need a custom pack?
Tell us the product, grade, and quantity — Molekula usually responds within one working day with pricing and lead time.