1,3,7-trimethylpurine-2,6-dione (CAS 95789-13-2) — formula C8H10N4O2, molecular weight 194.19; category organic chemicals.
1,3,7-trimethylpurine-2,6-dione (CAS 95789-13-2) is a chemical raw material in the organic chemicals category. Its molecular formula C8H10N4O2 comprises 8 C, 10 H, 4 N, 2 O atoms. Its molecular weight is about 194.19. Reported physicochemical data: melting point around 460 °F (NTP, 1992), boiling point around 178, LogP about -0.1. As a sourcing and distribution partner we help locate and compare this item across domestic and cross-border channels, arranging samples and batch orders with full COA and compliance files.
| CAS Number | 95789-13-2 |
|---|---|
| Molecular Formula | C8H10N4O2 |
| Molecular Weight | 194.19 |
| Melting Point | 460 °F (NTP, 1992) |
| Boiling Point | 178 |
| LogP | -0.1 |
| Applications | CIR ingredient: Caffeine, Occurs naturally in tea leaves, coffee beans, cocoa beans, mate leaves, guarana paste |
| Category | Organic Chemicals |
Documented applications: CIR ingredient: Caffeine, Occurs naturally in tea leaves, coffee beans, cocoa beans, mate leaves, guarana paste.
1,3,7-trimethylpurine-2,6-dione is a carbon-based organic compound with CAS registry number 95789-13-2 and molecular formula C8H10N4O2 (molecular weight 194.19), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 95789-13-2
Its molecular formula C8H10N4O2 comprises 8 C, 10 H, 4 N, 2 O atoms.
Also known as: 1,3,7-trimethylpurine-2,6-dione · 1,3,7-三甲基嘌呤-2,6-二酮
Category: organic chemicals
The CAS registry number of 1,3,7-trimethylpurine-2,6-dione is 95789-13-2.
Molecular formula C8H10N4O2, molecular weight 194.19.
It is also registered under: 1,3,7-trimethylpurine-2,6-dione, 1,3,7-三甲基嘌呤-2,6-二酮.
Recorded applications: CIR ingredient: Caffeine, Occurs naturally in tea leaves, coffee beans, cocoa beans, mate leaves, guarana paste.
Category: Organic Chemicals.
Packaging is agreed per order, from lab-scale packs to bulk, and confirmed with each order rather than fixed on the page. A Certificate of Analysis (COA) ships with every batch and MSDS is available; where the end use carries a regulatory limit (food contact, pharmaceutical or cosmetic), state the standard at enquiry and the grade is set against it.
Independent reference data for 1,3,7-trimethylpurine-2,6-dione (CAS 95789-13-2), compiled from public chemistry databases.
| CAS Number | 95789-13-2 |
|---|---|
| PubChem CID | 2519 |
| Molecular Formula | C8H10N4O2 |
| IUPAC Name | 1,3,7-trimethylpurine-2,6-dione |
| UNII (FDA) | 3G6A5W338E |
| Molecular Weight | 194.19 |
|---|---|
| XLogP3 | -0.1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 0 |
| Exact Mass | 194.08037557 |
| Monoisotopic Mass | 194.08037557 |
| Topological Polar Surface Area | 58.4 |
| Heavy Atom Count | 14 |
| Boiling Point | 178 |
|---|---|
| Boiling Point | 178 °C (sublimes) |
| Melting Point | 460 °F (NTP, 1992) |
| Melting Point | 235-237 |
| Melting Point | 236.2 °C |
| Melting Point | 238 °C |
| Melting Point | 235 °C |
| Solubility | 10 to 50 mg/mL at 73 °F (NTP, 1992) |
| Solubility | 2.17 |
| Solubility | In water, 2.16X10+4 mg/L at 25 °C |
caffeine; 58-08-2; Guaranine; 1,3,7-Trimethylxanthine; Methyltheobromine; Theine; Thein; Cafeina; Caffein; Cafipel; Koffein; Mateina; Alert-pep; Coffeine; Anhydrous caffeine; Refresh'n
| Regulatory & food contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents Caffeine for performance |
|---|---|
| GHS notifications | 0.6% (13 / 2217) |
| GHS notifications | 0.6% (13 / 2217) |
|---|---|
| Notified hazard statements | H302, H301, H332, H360 |
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 1,3,7-三甲基嘌呤-2,6-二酮