HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 69374Erstellt: 26. Oktober 2026
m-Xylol-α,α'-diol
1,3-phenylenediMethanol · m-Xylene glycol · M-XYLYLENE GLYCOL · m-xylene-α,α'-diol · m-xylene-à,à'-diol · M-XYLENE-A,A'-DIOL · Isophthalyl alcohol · RARECHEM AL BD 0071
https://huagongshe.com/de/chemical/69374
Identifikatoren & physikalische Daten
| CAS No. | 626-18-6 |
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| Summenformel | C8H10O2 |
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| Durchschnittliche Molmasse | 138,16 g/mol |
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| Monoisotopische Masse | 138,06807956 g/mol |
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| SMILES | OCc1cccc(CO)c1 |
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| InChIKey | YWMLORGQOFONNT-UHFFFAOYSA-N |
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| PubChem CID | 69374 |
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| EC No. | 210-934-2 |
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| DTXSID | DTXSID9060815 |
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| Lokaler Name | m-Xylol-α,α'-diol |
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Chemische & physikalische Eigenschaften
| XLogP | 0,2 |
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| Polarare Oberfläche (TPSA) | 40,5 |
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| H-Brücken-Donoren | 2 |
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| H-Brücken-Akzeptoren | 2 |
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| Frei drehbare Bindungen | 2 |
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| Schwere Atome | 10 |
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| Formalladung | 0 |
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| Komplexität | 83,3 |
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| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
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| Schmelzpunkt | 56-60 °C (lit.) |
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| Siedepunkt | 154-159 °C/13 mmHg (lit.) |
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| Dichte | 1.1610 |
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| Brechungsindex | 1.5090 (estimate) |
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| Flammpunkt | 154-159°C/13mm |
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| Lagerbedingungen | Sealed in dry,Room Temperature |
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| Aggregatzustand | Solution, may develop some turbidity precipitate |
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| pKa (Säurekonstante) | 13.98±0.10(Predicted) |
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| Farbe | Clear to hazy colorless to yellow |
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| Löslichkeit | Soluble in water. |
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| BRN | 1562398 |
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| InChI | 1S/C8H10O2/c9-5-7-2-1-3-8(4-7)6-10/h1-4,9-10H,5-6H2 |
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| InChIKey | YWMLORGQOFONNT-UHFFFAOYSA-N |
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| SMILES | OCc1cccc(CO)c1 |
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| CAS Datenbank | 626-18-6(CAS DataBase Reference) |
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| EPA chemische Informationen | 1,3-Benzenedimethanol (626-18-6) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (97.7%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 43 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Hazard Classes and Categories | Acute Tox. 4 (97.7%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| TSCA-Inventar-Status | TSCA listed |
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| Zollcode | 29062900 |
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| R-Sätze (R) | 20/22-36-22 |
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| Gefahrensymbole | Xn |
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| Sicherheitshinweise (S) | 9-7-23-26 |
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| Lagerklasse | 11 - Combustible Solids |
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| Gefahrenklasse | Acute Tox. 4 OralEye Irrit. 2 |
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