HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2,6-Dihydroxybenzoesure
2,6-Resorcylic acid · 2,6-dihydroxybenzoate · GAMMA-RESORCYLIC ACID · nsc49172 · 2,6-Dihydroxyl · G-RESORCYLIC ACID · 2-Carboxyresorcinol · gama-Resorcylic acid
Identifikatoren & physikalische Daten
| CAS No. | 303-07-1 |
|---|---|
| Summenformel | C7H6O4 |
| Durchschnittliche Molmasse | 154,12 g/mol |
| Monoisotopische Masse | 154,02660867 g/mol |
| SMILES | O=C(O)c1c(O)cccc1O |
| InChIKey | AKEUNCKRJATALU-UHFFFAOYSA-N |
| PubChem CID | 9338 |
| ChEMBL | CHEMBL454808 |
| ChEBI | CHEBI:68465 |
| EC No. | 206-134-8 |
| DTXSID | DTXSID1059785 |
| Lokaler Name | 2,6-Dihydroxybenzoesure |
Chemische & physikalische Eigenschaften
| XLogP | 2,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 77,8 |
| H-Brücken-Donoren | 3 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 147 |
| Stoffklassen | Other Classes -> Benzoic Acid Derivatives |
| LogP (Verteilungskoeffizient) | 2.20 |
| Löslichkeit | 9.56 mg/mL25g/l9.56g/L(temperature not stated) |
| Schmelzpunkt | 165 °C165 °C (dec.) (lit.) |
| Physical Description | Off-white chunks[Alfa Aesar MSDS]Solid |
| Siedepunkt | 237.46°C (rough estimate) |
| Dichte | 1.3725 (rough estimate) |
| Brechungsindex | 1.6400 (estimate) |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| pKa (Säurekonstante) | pK1:1.30 (25°C) |
| Aggregatzustand | Crystalline Powder |
| Farbe | Off-white |
| BRN | 2209755 |
| InChI | 1S/C7H6O4/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3,8-9H,(H,10,11) |
| InChIKey | AKEUNCKRJATALU-UHFFFAOYSA-N |
| SMILES | OC(=O)c1c(O)cccc1O |
| LogP (Verteilungskoeffizient) | 2.200 |
| CAS Datenbank | 303-07-1(CAS DataBase Reference) |
| NIST chemische Informationen | Benzoic acid, 2,6-dihydroxy-(303-07-1) |
| EPA chemische Informationen | 2,6-Resorcylic acid (303-07-1) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 47 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Benzoic acid, 2,6-dihydroxy-Benzoic acid, 2,6-dihydroxy-: Does not have an individual approval but may be used under an appropriate group standard |
| Weitere Sicherheitsinformationen | Evaluation - Chemicals that are unlikely to require further regulation to manage risks to environment |
| Gefahrenübersicht | A skin and strong eye irritant[Alfa Aesar MSDS] |
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29182990 |
| RTECS-Nr. | DG8578000 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-36 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
6-Hydroxysalicylic Acid, is used in biological studies to evaluate the microbial metabolism of various sources of polyphenols in colon area.