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2,4-Dihydroxybenzoic acid
2,4-Dihydroxybenzoic acid (β-resorcylic acid) is a dihydroxybenzoic acid.
| Column 1 | Column 2 |
|---|---|
| Chemical structure of 2,4-dihydroxybenzoic acid | |
| Preferred IUPAC name | |
| 2,4-Dihydroxybenzoic acid | |
| Other names | |
| CAS Number | 89-86-1 Y |
| 3D model (JSmol) | Interactive image |
| ChEBI | CHEBI:42094 |
| ChEMBL | ChEMBL328910 Y |
| ChemSpider | 1446 Y |
| DrugBank | DB02839 Y |
| ECHA InfoCard | 100.001.770 |
| PubChem CID | 1491 |
| UNII | LU39SC9JYL Y |
| CompTox Dashboard (EPA) | DTXSID0025074 |
| InChI | |
| InChI=1S/C7H6O4/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,8-9H,(H,10,11) YKey: UIAFKZKHHVMJGS-UHFFFAOYSA-N Y | |
| SMILES | |
| C1=CC(=C(C=C1O)O)C(=O)O | |
| Chemical formula | C7H6O4 |
| Molar mass | 154.121 g·mol−1 |
| Melting point | 229 °C (444 °F; 502 K) |
| Solubility in water | soluble |
| Solubility in ethanol | soluble |
| Solubility in diethyl ether | soluble |
| Solubility in benzene | soluble |
| Acidity (pKa) | 3.118.5514.0 |
| GHS labelling: | |
| Pictograms | |
| Signal word | Warning |
| Hazard statements | H315, H319, H335 |
| Precautionary statements | P261, P280, P302+P352, P305+P351+P338 |
| Related compounds | 2,3-Dihydroxybenzoic acid2,5-Dihydroxybenzoic acid2,6-Dihydroxybenzoic acid3,4-Dihydroxybenzoic acid3,5-Dihydroxybenzoic acid |
| Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). | |
| Y verify (what is YN ?) |
Infobox references | |
2,4-Dihydroxybenzoic acid (β-resorcylic acid) is a dihydroxybenzoic acid.
As a resorcylic acid, it is one of the three isomeric crystalline acids that are both carboxyl derivatives of resorcinol and dihydroxy derivatives of benzoic acid. Synthesis from resorcinol is via the Kolbe-Schmitt reaction.
It is a degradation product of cyanidin glycosides from tart cherries in cell cultures. It is also a metabolite found in human plasma after cranberry juice consumption.
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