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| IUPAC Name: | benzene-1,2,4-triol |
| Description: | 1,2,4-Trihydroxybenzene, a by-product of coffee bean roasting, increases intracellular Ca2+ concentration in rat thymic lymphocytes. It is a common intermediate in the biodegradation of many aromatic compounds. |
| Molecular Weight: | 126.11 |
| Molecular Formula: | C6H6O3 |
| Canonical SMILES: | C1=CC(=C(C=C1O)O)O |
| InChI: | InChI=1S/C6H6O3/c7-4-1-2-5(8)6(9)3-4/h1-3,7-9H |
| InChI Key: | GGNQRNBDZQJCCN-UHFFFAOYSA-N |
| Boiling Point: | 334.5±12.0°C at 760 mmHg |
| Melting Point: | 138-140°C |
| Flash Point: | Not applicable |
| Purity: | ≥98% |
| Density: | 1.45±0.1 g/cm3 |
| Solubility: | Soluble in DMSO (Sparingly), Methanol (Slightly) |
| Appearance: | Pale Brown to Brown Solid |
| Storage: | Store at -20°C under inert atmosphere |
| LogP: | 0.80340 |
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