HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
3-Hydroxybenzoesure
M-HYDROXYBENZOIC ACID · 3-hydroxybenzoate · Benzoic acid, 3-hydroxy- · m-Salicylic acid · meta-Hydroxybenzoic acid · m-Hba · m-salicylicacid · m-Salicylic Aci
Identifikatoren & physikalische Daten
| CAS No. | 99-06-9 |
|---|---|
| Summenformel | C7H6O3 |
| Durchschnittliche Molmasse | 138,12 g/mol |
| Monoisotopische Masse | 138,03169405 g/mol |
| SMILES | O=C(O)c1cccc(O)c1 |
| InChIKey | IJFXRHURBJZNAO-UHFFFAOYSA-N |
| PubChem CID | 7420 |
| ChEMBL | CHEMBL65369 |
| ChEBI | CHEBI:30764 |
| EC No. | 202-726-5 |
| DTXSID | DTXSID6021610 |
| Lokaler Name | 3-Hydroxybenzoesure |
Chemische & physikalische Eigenschaften
| XLogP | 1,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 57,5 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 133 |
| Stoffklassen | Other Classes -> Benzoic Acid Derivatives |
| SpringerMaterials Properties | Chemical bond |
| LogP (Verteilungskoeffizient) | 1.50 |
| Lebensmittelzusatzstoffe | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
| Aromastoffe | EU Flavoring substances |
| Löslichkeit | 7.25 mg/mL at 25 °CSolubleSoluble (in ethanol)DMSO (Slightly), Methanol (Slightly)slightly soluble |
| Schmelzpunkt | 202 °C200-203 °C (lit.) |
| Dampfdruck | 0.000158 [mmHg] |
| Physical Description | White or off-white powder[Alfa Aesar MSDS]SolidWhite crystalline powder |
| Siedepunkt | 213.5°C (rough estimate) |
| Dichte | 1.4850 |
| Brechungsindex | 1.4600 (estimate) |
| FEMA | 4431 | 3-HYDROXYBENZOIC ACID |
| Flammpunkt | 220 °C |
| Lagerbedingungen | Store below +30°C. |
| pKa (Säurekonstante) | 4.06(at 19℃) |
| Aggregatzustand | Powder |
| Farbe | White to off-white |
| pH | 3 (H2O)Aqueous solution |
| JECFA Number | 2279 |
| BRN | 508160 |
| Kosmetik-Inhaltsstoffe Funktionen | SKIN CONDITIONING |
| InChI | 1S/C7H6O3/c8-6-3-1-2-5(4-6)7(9)10/h1-4,8H,(H,9,10) |
| InChIKey | IJFXRHURBJZNAO-UHFFFAOYSA-N |
| SMILES | OC(=O)c1cccc(O)c1 |
| LogP (Verteilungskoeffizient) | 1.50 |
| CAS Datenbank | 99-06-9(CAS DataBase Reference) |
| NIST chemische Informationen | Benzoic acid, 3-hydroxy-(99-06-9) |
| EPA chemische Informationen | m-Hydroxybenzoic acid (99-06-9) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (94%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 50 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Benzoic acid, 3-hydroxy-Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)3-Hydroxybenzoic acid: 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 irritantHarmful by ingestion[Alfa Aesar MSDS] See 4-Hydroxybenzoic acid. |
| Hazard Classes and Categories | Acute Tox. 4 (94%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29182990 |
| RTECS-Nr. | DH1924980 |
| R-Sätze (R) | 22-36/37/38 |
| Gefahrensymbole | Xn,Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-36-37/39 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
3-Hydroxybenzoic acid is used as an intermediate in the manufacture of germicides, plasticizers, preservatives, light stabiliziers, petroleum additives, pharmaceuticals, and plasticizer. It can also be used for the synthesis of azo dyes and herbicide fomesafen.