Molekula
Theobromine (C7H8N4O2)
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
Theobromine (C7H8N4O2) is a bitter alkaloid naturally found in cocoa beans and used in pharmaceuticals, cosmetics, and research. Industrially, it serves mainly as a starting material for caffeine production, and it is also used as a flavoring ingredient and in cosmetic and veterinary formulations. It acts as a mild stimulant and diuretic. Available with CAS number 83-67-0, molecular weight 180.16 g/mol, and stable at ambient storage conditions. Molekula supplies Theobromine 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
These pack sizes aren't a limit. Molekula manufactures, sources and repacks to order — if you need 500 kg and only see 1 kg listed, . We quote from grams to multi-tonne.
Need a different size? Add the nearest pack and change the size in your basket — we price it at the same rate per unit.
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25 g — £19.80 per pack ex VAT · £23.76 inc. VAT
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 powder |
| Grade | EP 8.0 |
| Heavy metals | max 20 ppm |
| Identification | Positive reaction Acidity: The test solution consumes 0.01mol/l |
| Loss on Drying | max 0.5% |
| Assay | 99.0% - 101.0% |
| Sulphated Ash | max 0.1% |
| Related Substances | max 0.5% |
| NaOH | max 0.2 ppm |
Storage & handling
| Property | Value |
|---|---|
| Storage Temperature | Ambient |
| Acidity | Neutral |
Literature values
Published physical properties of the substance, not batch specifications.
| Property | Value |
|---|---|
| Appearance | White powder or monoclinic needles |
| Melting Point | 357 °C |
| Density | 1.522 g/cm³ at 20 °C |
| Water Solubility | 330 mg/L at 25 °C |
| pKa | pKa = 9.9 |
| log P (octanol/water) | -0.78 |
Source: PubChem CID 5429 (HSDB, DrugBank)
Identification
| Property | Value |
|---|---|
| SKU | 18031487 |
| CAS Number | 83-67-0 |
| IUPAC Name | 3,7-dimethylpurine-2,6-dione |
| EC Number | 201-494-2 |
| Molecular Formula | C7H8N4O2 |
| Molecular Weight | 180.16 |
| Exact Mass | 180.0647 |
| SMILES | CN1C=NC2=C1C(=O)NC(=O)N2C |
| InChIKey | YAPQBXQYLJRXSA-UHFFFAOYSA-N |
| InChI | InChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)9-7(13)11(5)2/h3H,1-2H3,(H,9,12,13) |
| PubChem CID | 5429 |
| REACH Code | Y110 |
| TSCA Listed | Yes |
| HTS Code | 2939790000 |
| Tariff Code | 2939799090 |
Safety & GHS
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Health Hazard
GHS07
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Serious Health Hazard
GHS08
Hazard statements
- H302 Harmful if swallowed
- H319 Causes serious eye irritation
- H351 Suspected of causing cancer
Precautionary statements
- 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
- P304+340 IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for breathing
- P305+351+338 IF IN EYES: Rinse with water for several minutes. Remove contact lenses if present and easy to do. Continue rinsing
- P308+313 IF exposed or concerned: Get medical advice/attention
Documents
Safety Data Sheets (SDS)
Available in English, French, German, Italian, Portuguese, 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
- 3,7-Dimethyl-3,7-dihydro-1H-purine-2,6-dione
- 3,7-dimethylpurine-2,6-dione
- 3,7-Dimethylxanthine
- Diurobromine
- Santheose
- Teobromin
- theobromine
- Theosalvose
- Theostene
- Thesal
Frequently asked questions
What is theobromine used for?
Theobromine is primarily used in pharmaceuticals and research as a vasodilator and diuretic, and is also studied for its potential effects on metabolism and cardiovascular health.
What is the chemical formula and molecular weight of theobromine?
The chemical formula is C7H8N4O2, and the molecular weight is 180.16 g/mol.
How should theobromine be stored?
Theobromine should be stored at ambient temperature, protected from moisture and light.
What grade of theobromine does Molekula supply?
Molekula supplies theobromine in research-grade purity, suitable for laboratory and non-pharmaceutical applications.
Can Molekula supply theobromine in bulk?
Yes, Molekula can supply theobromine in bulk quantities—please contact our sales team for pricing and availability.
What documentation comes with a theobromine order?
Each order includes a Certificate of Analysis (CoA) and Safety Data Sheet (SDS); additional documentation can be provided upon request.
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.