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HCID 69560Erstellt: 26. Oktober 2026
2,6-Dimethylhydrochinon
Dmhq · 2,6-Dimethylbenzene-1,4-diol · m-Xylohydroquinone · 2,6-Dimethyl-1,4-benzenediol · 1,4-Benzenediol, 2,6-dimethyl- · mxhq · m-XHQ · 2,6-Xyloquinol
https://huagongshe.com/de/chemical/69560
Identifikatoren & physikalische Daten
| CAS No. | 654-42-2 |
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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 | Cc1cc(O)cc(C)c1O |
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| InChIKey | SGWZVZZVXOJRAQ-UHFFFAOYSA-N |
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| PubChem CID | 69560 |
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| ChEMBL | CHEMBL4205770 |
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| ChEBI | CHEBI:179263 |
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| EC No. | 211-505-2 |
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| DTXSID | DTXSID8060957 |
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| Lokaler Name | 2,6-Dimethylhydrochinon |
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Chemische & physikalische Eigenschaften
| XLogP | 1 |
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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 | 0 |
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| Schwere Atome | 10 |
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| Formalladung | 0 |
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| Komplexität | 102 |
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| LogP (Verteilungskoeffizient) | 1.00 |
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| Schmelzpunkt | 149 - 151 °C154°C |
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| Physical Description | Solid |
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| Siedepunkt | 193.57°C (rough estimate) |
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| Dichte | 1.0340 (rough estimate) |
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| Brechungsindex | 1.4698 (estimate) |
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| Lagerbedingungen | Inert atmosphere,Room Temperature |
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| Löslichkeit | soluble in Methanol |
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| Aggregatzustand | powder to crystal |
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| pKa (Säurekonstante) | 10.92±0.23(Predicted) |
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| Farbe | White to Light yellow to Light red |
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| InChI | InChI=1S/C8H10O2/c1-5-3-7(9)4-6(2)8(5)10/h3-4,9-10H,1-2H3 |
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| InChIKey | SGWZVZZVXOJRAQ-UHFFFAOYSA-N |
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| SMILES | C1(O)=C(C)C=C(O)C=C1C |
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| CAS Datenbank | 654-42-2(CAS DataBase Reference) |
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| EPA chemische Informationen | 1,4-Benzenediol, 2,6-dimethyl- (654-42-2) |
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Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (99.1%): Harmful if swallowed [Warning Acute toxicity, oral]P203, P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P354+P338, P317, P318, P321, P330, P332+P317, P362+P364, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 106 reports by companies from 3 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 (99.1%) |
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| TSCA-Inventar-Status | TSCA listed |
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| UN-Transportnummer | 2811 |
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| Zollcode | 2902900000 |
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| RTECS-Nr. | MX5900000 |
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| R-Sätze (R) | 36/37/38 |
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| Toxizität | LD50 oral in mouse: 186mg/kg |
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| Gefahrensymbole | Xi,T |
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| Sicherheitshinweise (S) | 26-36/37/39 |
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| Gefahrenklasse | IRRITANT, TOXIC |
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| Verpackungsgruppe | III |
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