HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 592162Erstellt: 27. Oktober 2026
Methyl 5-hydroxy-2-methoxybenzoate
METHYL 5-HYDROXY-2-METHOXYBENZOATE · Benzoic acid, 5-hydroxy-2-methoxy-, methyl ester
https://huagongshe.com/de/chemical/592162
Identifikatoren & physikalische Daten
| CAS No. | 87513-63-1 |
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| Summenformel | C9H10O4 |
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| Durchschnittliche Molmasse | 182,17 g/mol |
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| Monoisotopische Masse | 182,0579088 g/mol |
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| SMILES | COC(=O)c1cc(O)ccc1OC |
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| InChIKey | ZKVWSXCKPJLMRC-UHFFFAOYSA-N |
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| PubChem CID | 592162 |
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| ChEMBL | CHEMBL2252124 |
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| EC No. | 103-282-4 |
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| DTXSID | DTXSID20343784 |
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Chemische & physikalische Eigenschaften
| XLogP | 1,7 |
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| Polarare Oberfläche (TPSA) | 55,8 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 4 |
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| Frei drehbare Bindungen | 3 |
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| Schwere Atome | 13 |
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| Formalladung | 0 |
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| Komplexität | 180 |
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| Siedepunkt | 328.3±22.0 °C(Predicted) |
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| Dichte | 1.216±0.06 g/cm3(Predicted) |
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| pKa (Säurekonstante) | 9+-.0.18(Predicted) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract 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)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
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| Hazard Classes and Categories | Skin Irrit. 2 (100%)Eye Irrit. 2A (100%)STOT SE 3 (100%) |
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| Alarmwort | Warnung |
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| Gefahrenhinweise | Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H315 |
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