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2-Hydroxy-m-anisaldehyd
2-HYDROXY-3-METHOXYBENZALDEHYDE · O-VANILLIN · Ortho vanillin · O-VANILLIN (2-HYDROXY-3-METHOXYBENZALDEHYDE) · o-Vanilin · 2-VANILLIN · Benzaldehyde, 2-hydroxy-3-methoxy- · 3-METHOXY-2-HYDROXYBENZALDEHYDE
Identifikatoren & physikalische Daten
| CAS No. | 148-53-8 |
|---|---|
| Summenformel | C8H8O3 |
| Durchschnittliche Molmasse | 152,15 g/mol |
| Monoisotopische Masse | 152,04734412 g/mol |
| SMILES | COc1cccc(C=O)c1O |
| InChIKey | JJVNINGBHGBWJH-UHFFFAOYSA-N |
| PubChem CID | 8991 |
| ChEMBL | CHEMBL13859 |
| ChEBI | CHEBI:78339 |
| EC No. | 205-715-3 |
| DTXSID | DTXSID5022011 |
| Lokaler Name | 2-Hydroxy-m-anisaldehyd |
Chemische & physikalische Eigenschaften
| XLogP | 1,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 46,5 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 135 |
| Stoffklassen | Biological Agents -> Plant Oils and Extracts |
| SpringerMaterials Properties | Boiling point |
| Dampfdruck | 0.00103 [mmHg] |
| Physical Description | Light yellow crystalline solid[Sigma-Aldrich MSDS] |
| Schmelzpunkt | 40-42 °C (lit.) |
| Siedepunkt | 265-266 °C (lit.) |
| Dichte | 1.2143 (rough estimate) |
| Brechungsindex | 1.4945 (estimate) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Store below +30°C. |
| Löslichkeit | Chloroform (Sparingly), Methanol (Slightly)slightly soluble |
| pKa (Säurekonstante) | pK1:7.912 (25°C) |
| Aggregatzustand | Low Melting Solid |
| Farbe | Pale yellow to brown |
| BRN | 471913 |
| Stabilität | Hygroscopic |
| InChI | 1S/C8H8O3/c1-11-7-4-2-3-6(5-9)8(7)10/h2-5,10H,1H3 |
| InChIKey | JJVNINGBHGBWJH-UHFFFAOYSA-N |
| SMILES | COc1cccc(C=O)c1O |
| LogP (Verteilungskoeffizient) | 1.370 |
| CAS Datenbank | 148-53-8(CAS DataBase Reference) |
| NIST chemische Informationen | Benzaldehyde, 2-hydroxy-3-methoxy-(148-53-8) |
| EPA chemische Informationen | Benzaldehyde, 2-hydroxy-3-methoxy- (148-53-8) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 4.5% (3 of 66) of reports.DangerH302 (65.2%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 66 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Benzaldehyde, 2-hydroxy-3-methoxy-Benzaldehyde, 2-hydroxy-3-methoxy-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right. |
| Gefahrenübersicht | A mild eye irritantCauses convulsions in intraperitoneal lethal-dose studies of guinea pigs and mice[RTECS] A skin and strong eye irritantHarmful by ingestion[Sigma-Aldrich MSDS] See Vanillin. |
| Hazard Classes and Categories | Acute Tox. 4 (65.2%) |
| F | 10-23 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29124900 |
| RTECS-Nr. | CU6530000 |
| R-Sätze (R) | 22-36/37/38 |
| Gefahrensymbole | Xn,Xi |
| Sicherheitshinweise (S) | 23-36-24/25-36/37/39-27-26 |
| Lagerklasse | 13 - Non Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2 |
Anwendungen & Verwendung
Verwenden
A positional isomer of Vanillin. o-Vanillin is a more potent antioxidant than Vanillin.