Molekula
Caffeine 98.5% min.
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 (58-08-2) is a natural stimulant alkaloid widely used in beverages, pharmaceuticals, and dietary supplements to enhance alertness and concentration. It appears as a white, crystalline powder with a bitter taste, soluble in water and ethanol. This high-purity product (C8H10N4O2, MW 194.19) meets 98.5% minimum assay standards, stored at ambient conditions under proper ventilation. The signal word is Warning, indicating moderate hazard with proper handling. Molekula supplies Caffeine 98.5% min. 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- clear and colourless |
| Melting Point | 234 - 239 °C |
| Heavy metals | Max 0.001 % |
| Identification | Conforms to reference spectrum |
| Loss on Drying | Max 0.5 % |
| Sulphated Ash | Max 0.1 % |
| Assay (HPLC) | 98.5-101.0% |
| Residue on Ignition | Max 0.1 % |
| Total Impurities | ≤0.1% |
| HPLC | Conforms to the chromatogram of the standard preparation |
| Assay (dried basis) | 98.5 - 101.5 % |
| Sulphates (SO4)(2-) | Max 500 ppm, mg/kg |
| Acidity(0.01M NaOH) | ≤ 0.2 |
| Residual Solvents: Chloroform | Max 60 ppm, mg/kg |
| Chromatographic purity (single impurity) | ≤0.1% |
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 | 90032840 |
| 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, 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
- Cafipel
- Guaranine
- Koffein
- Mateina
- Methyltheobromine
- Thein
- Theine
Frequently asked questions
What is caffeine primarily used for in industrial or commercial applications?
Caffeine is commonly used as a stimulant in beverages, pharmaceuticals (e.g., nootropics, analgesics), and as a chemical intermediate in organic synthesis.
What is the molecular formula and molecular weight of this caffeine product?
The molecular formula is **C₈H₁₀N₄O₂**, and the molecular weight is **194.19 g/mol**.
How should this caffeine product be stored?
Store in a tightly sealed container at **ambient temperature**, away from moisture and direct sunlight.
What purity grade is this caffeine, and is it suitable for pharmaceutical use?
This product meets **98.5% minimum purity** and is suitable for **pharmaceutical, food, and industrial applications**—verify compliance with your specific regulatory requirements.
Can Molekula supply caffeine in bulk quantities?
Yes, we offer **bulk packaging options** (e.g., 1 kg, 5 kg, 25 kg drums) for commercial and industrial customers—contact us for pricing and lead times.
What documentation is provided with a caffeine order?
Each order includes a **Certificate of Analysis (CoA)**, **Material Safety Data Sheet (MSDS)**, and **batch-specific documentation** for traceability.
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.