HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 11008556Erstellt: 27. Oktober 2026
Methyl 3,4-Dihydroxyphenylacetate
methyl 2-(3,4-dihydroxyphenyl)acetate · METHYL 3,4-DIHYDROXYPHENYLACETATE · CATECHOL-4-ACETIC ACID METHYL ESTER · Methyl3,4-Dihydroxyphenylacetate>Chatechol-4-acetic acid methyl ester · HOMOPROTOCATECHUIC ACID METHYL ESTER · PYROCATECHOL-4-ACETIC ACID METHYL ESTER · 3,4-Dihydroxyphenylacetic acid methyl ester · 3,4-Dihydroxybenzeneacetic Acid Methyl Ester
https://huagongshe.com/de/chemical/11008556
Identifikatoren & physikalische Daten
| CAS No. | 25379-88-8 |
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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)Cc1ccc(O)c(O)c1 |
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| InChIKey | UGFILLIGHGZLHE-UHFFFAOYSA-N |
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| PubChem CID | 11008556 |
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| ChEMBL | CHEMBL3120494 |
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| EC No. | 680-000-0 |
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| DTXSID | DTXSID70451666 |
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Chemische & physikalische Eigenschaften
| XLogP | 0,8 |
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| Polarare Oberfläche (TPSA) | 66,8 |
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| H-Brücken-Donoren | 2 |
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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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| Schmelzpunkt | 36 °C |
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| Siedepunkt | 335.0±27.0 °C(Predicted) |
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| Dichte | 1.309±0.06 g/cm3(Predicted) |
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| Lagerbedingungen | Sealed in dry,Room Temperature |
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| Löslichkeit | Chloroform (Slightly), Methanol (Slightly) |
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| Aggregatzustand | Solid |
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| pKa (Säurekonstante) | 9.48±0.12(Predicted) |
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| Farbe | White to Brown |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (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%) |
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| Zollcode | 2918290090 |
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| R-Sätze (R) | 36/37/38 |
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| Sicherheitshinweise (S) | 26-36 |
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