Theobromine
Also known as: 3,7-Dimethylxanthine, 3,7-Dihydro-3,7-dimethyl-1H-purine-2,6-dione, 2,6-Dihydroxy-3,7-dimethyl-purine, 3,7-Dimethyl-3,7-dihydro-1H-purine-2,6-dione, Diuretin, Diurobromine, Santheose, Teobromin, Theobromin, Theosalvose, Theostene, Thesal, Thesodate, SC 15090
Theobromine (CAS 83-67-0) is a compound in the Organic Bases category listed in the Jingsj chemical database. It has the molecular formula C7H8N4O2 and a molecular weight of 180.164 g/mol. Key properties include a melting point of 345-350 °C, a boiling point of 495.5±37.0 °C at 760 mmHg, a density of 1.6±0.1 g/cm3 and a flash point of 253.5±26.5 °C. It is classified under GHS with signal word Danger and hazard statements H225 — Highly flammable liquid and vapour, H301 — Toxic if swallowed and H311 — Toxic in contact with skin. It is listed by 1 supplier, from 4.01 to 8.00 CNY. Record last updated Aug 21, 2026.
- CAS No.
- 83-67-0
- Jingsj CID
- J-1329593-2
- Molecular Formula
- C7H8N4O2
- Molecular Weight
- 180.164 g/mol
- Category
- Organic Bases
- Last updated
- 8/21/2026
| Supplier | Purity / Pack | Base Price | Unit Price | Origin | |
|---|---|---|---|---|---|
In Stock | >98.0%(LC)(T) 500g | ¥2,007.00 | $0.6 /gBest ¥4.01/g CNY | CN China MOQ 500g | |
In Stock | >98.0%(LC)(T) 25g | ¥200.00 | $1.2 /g ¥8.00/g CNY | CN China MOQ 25g |
Physicochemical Properties
| Melting Point | 345-350 °C |
|---|---|
| Boiling Point | 495.5±37.0 °C at 760 mmHg |
| Density | 1.6±0.1 g/cm3 |
| Flash Point | 253.5±26.5 °C |
| Exact Mass | 180.064728 |
| PSA | 72.68000 |
| LogP | -2.08 |
| Vapor Pressure | 0.0±1.3 mmHg at 25°C |
| Refractive Index | 1.737 |
| Additional Property | slightly soluble, |
GHS Safety & Compliance
- H225 — Highly flammable liquid and vapour
- H301 — Toxic if swallowed
- H311 — Toxic in contact with skin
- H331 — Toxic if inhaled
- H370 — Causes damage to organs
Activity & Biological Data
| Target | Human Endogenous Metabolite |
|---|---|
| Additional Information | [1]. Mitani T, et al. Theobromine suppresses adipogenesis through enhancement of CCAAT-enhancer-binding protein β degradation by adenosine receptor A1. [2]. Martín-Peláez S, et al. Effect of cocoa's theobromine on intestinal microbiota of rats. Mol Nutr Food Res. 2017 Oct;61(10). |
Customs & Trade Information
| HS Code | 2933990090 |
|---|---|
| Summary | 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
Frequently Asked Questions
What is the CAS number of Theobromine?
The CAS number of Theobromine is 83-67-0.
What are the molecular formula and molecular weight of Theobromine?
Theobromine has molecular formula C7H8N4O2 and molecular weight 180.164 g/mol.
Which suppliers offer Theobromine?
1 supplier(s) listed; reference unit price ¥4.01–8.00 /g.
Is Theobromine hazardous?
Theobromine has GHS signal word Danger and hazard statements H225 — Highly flammable liquid and vapour; H301 — Toxic if swallowed; H311 — Toxic in contact with skin.
What are the upstream and downstream products of Theobromine?
For Theobromine, Upstream Products: 3-Methylxanthine, Dimethyl sulfate, 5-Amino-3,7-dimethylxanthine; Downstream Products: Sarcosine, Ammonia, Methylurea.
Data compiled from public chemical databases such as PubChem and supplier catalogs; supplier offers are provided by suppliers.
Last updated:
How to cite: Jingsj. "Theobromine (CAS 83-67-0)". Jingsj Chemical Database. https://www.jingsj.com/compound/J-1329593-2 (accessed 2026-11-06).
Data for reference only; verify product details with suppliers before purchase.