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o-Xylol-α,α'-diol
1,2-phenylenediMethanol · NSC 403013 · PHTHALYL ALCOHOL · O-XYLYLENE GLYCOL · α,α'-o-Xylenediol · o-xylene-à,à'-diol · O-BENZENEDIMETHANOL · RARECHEM AL BD 0044
Identifikatoren & physikalische Daten
| CAS No. | 612-14-6 |
|---|---|
| Summenformel | C8H10O2 |
| Durchschnittliche Molmasse | 138,16 g/mol |
| Monoisotopische Masse | 138,06807956 g/mol |
| SMILES | OCc1ccccc1CO |
| InChIKey | XMUZQOKACOLCSS-UHFFFAOYSA-N |
| PubChem CID | 69153 |
| EC No. | 210-293-9 |
| DTXSID | DTXSID4060604 |
| Lokaler Name | o-Xylol-α,α'-diol |
Chemische & physikalische Eigenschaften
| XLogP | 0,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 40,5 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 81,3 |
| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
| Pestizide | Environmental transformation -> Pesticide transformation products (metabolite, successor) |
| Schmelzpunkt | 63-65 °C(lit.) |
| Siedepunkt | 145 °C / 3mmHg |
| Dichte | 1.0742 (rough estimate) |
| Brechungsindex | 1.5590 (estimate) |
| Flammpunkt | 145° |
| Lagerbedingungen | Store below +30°C. |
| Löslichkeit | 158g/lSoluble in water, ether, ethanol, benzene. |
| pKa (Säurekonstante) | 13.96±0.10(Predicted) |
| Aggregatzustand | Powder |
| Farbe | White to light yellow |
| BRN | 508775 |
| InChI | InChI=1S/C8H10O2/c9-5-7-3-1-2-4-8(7)6-10/h1-4,9-10H,5-6H2 |
| InChIKey | XMUZQOKACOLCSS-UHFFFAOYSA-N |
| SMILES | C1(CO)=CC=CC=C1CO |
| CAS Datenbank | 612-14-6(CAS DataBase Reference) |
| NIST chemische Informationen | 1,2-Benzenedimethanol(612-14-6) |
| EPA chemische Informationen | 1,2-Benzenedimethanol (612-14-6) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | 1,2-Benzenedimethanol: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Acute Tox. 4 (66.7%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29062900 |
| R-Sätze (R) | 20/22 |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 22-24/25 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
1,2-Benzenedimethanol is a raw material used in chemical synthesis.