Theobromine
Order Theobromine (CAS 83-67-0) online at Zemixal. Request a quote with price, lead time and documents. Part of our API Reference Standards range.
About Theobromine
Analytical teams working on Theobromine use Theobromine as a qualified comparison standard. For your records (Reference Standard), the material is defined by CAS 83-67-0, formula C7H8N4O2 and molar mass 180.16 g/mol. It is handled as a solid.
Use cases we see most often
- Identification & assay
- Method development & validation
- QC reference material
Storage and safety notes
Hazard communication follows GHS (Warning: H302, H319 and H351). Our SDS lists exposure controls and first-aid measures.
Standard pack sizes are 10 mg, 25 mg, 50 mg, 100 mg and 250 mg, and custom quantities are quoted on request. Every shipment includes a certificate of analysis with characterisation data. Request pricing online and we confirm availability, documentation and freight to your country.
See every impurity, metabolite and related compound we list for this API.
Theobromine standardsTypical uses
- Identification & assay
- Method development & validation
- QC reference material
Applications
Specifications and identifiers
| Product name | Theobromine |
|---|---|
| Catalogue number | ZX-006854 |
| CAS number | 83-67-0 |
| IUPAC name | 3,7-dimethylpurine-2,6-dione |
| Molecular formula | C7H8N4O2 |
| Molar mass | 180.16 g/mol |
| Exact mass | 180.0647 |
| Grade | Reference Standard |
| Physical form | Solid |
| XLogP3 | -0.8 |
| H-bond donors / acceptors | 1 / 3 |
| Topological polar surface area | 67.2 Ų |
| HS code | 38229090 |
| InChIKey | YAPQBXQYLJRXSA-UHFFFAOYSA-N |
| SMILES | CN1C=NC2=C1C(=O)NC(=O)N2C |
| PubChem CID | 5429 |
| Synonyms | 3,7-Dihydro-3,7-dimethyl-1H-purine-2,6-dione, 3,7-Dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 3,7-Dimethyl-3,7-dihydro-1H-purine-2,6-dione, 3,7-Dimethylxanthine, Diurobromine, Santheose, Theosalvose, Theostene, Thesal, Teobromin, Xantheose, 1H-Purine-2,6-dione, 3,7-dihydro-3,7-dimethyl- |
Lot values are stated on the batch certificate of analysis. Ask for a typical COA with your quotation.
Safety and GHS hazards
Signal word Warning
- H302Harmful if swallowed
- H319Causes serious eye irritation
- H351Suspected of causing cancer
Precautionary statements P203, P264, P264 + P265, P270, P280, P301 + P317, P305 + P351 + P338, P318, P330, P337 + P317, P405, P501
Classification summarised from public GHS notifications. It can vary with grade and concentration, so always follow the SDS supplied with your lot.
Pack sizes
| 10 mg | Quoted on request | |
| 25 mg | Quoted on request | |
| 50 mg | Quoted on request | |
| 100 mg | Quoted on request | |
| 250 mg | Quoted on request | |
| 500 mg | Quoted on request | |
| 1 g | Quoted on request |
Need a different size? Bulk drums and custom packing are quoted on request through the quote form on this page.
Questions about Theobromine
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Other grades with CAS 83-67-0
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