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2,3-Dimethoxy-5-methyl-p-benzochinon
COENZYME Q0 · 2,3-DIMETHOXY-5-METHYL-1,4-BENZOQUINONE · 2,3-dimethoxy-5-methylcyclohexa-2,5-diene-1,4-dione · q0 · Coq0 · COENZYME Q · Ubiquinonl · COENZYME QO
Identifikatoren & physikalische Daten
| CAS No. | 605-94-7 |
|---|---|
| Summenformel | C9H10O4 |
| Durchschnittliche Molmasse | 182,17 g/mol |
| Monoisotopische Masse | 182,0579088 g/mol |
| SMILES | COC1=C(OC)C(=O)C(C)=CC1=O |
| InChIKey | UIXPTCZPFCVOQF-UHFFFAOYSA-N |
| PubChem CID | 69068 |
| ChEMBL | CHEMBL1812772 |
| ChEBI | CHEBI:27906 |
| EC No. | 210-100-8 |
| DTXSID | DTXSID90209242 |
| Lokaler Name | 2,3-Dimethoxy-5-methyl-p-benzochinon |
Chemische & physikalische Eigenschaften
| XLogP | 0,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 52,6 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 323 |
| SpringerMaterials Properties | Crystal structure |
| Schmelzpunkt | 58-60 °C(lit.) |
| Siedepunkt | 331.4±42.0 °C(Predicted) |
| Dichte | 1.19±0.1 g/cm3(Predicted) |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | almost transparency in hot WaterDMF: 100 mg/mlDMSO: 100 mg/mlEthanol: 5 mg/mlPBS (pH 7.2): 0.2 mg/ml |
| Aggregatzustand | Crystalline Powder or Needles |
| Farbe | Red to orange |
| BRN | 1640422 |
| Stabilität | Stable. Combustible. Incompatible with strong oxidizing agents, reducing agents. |
| InChI | 1S/C9H10O4/c1-5-4-6(10)8(12-2)9(13-3)7(5)11/h4H,1-3H3 |
| InChIKey | UIXPTCZPFCVOQF-UHFFFAOYSA-N |
| SMILES | COC1=C(OC)C(=O)C(C)=CC1=O |
| CAS Datenbank | 605-94-7(CAS DataBase Reference) |
| NIST chemische Informationen | 2,5-Cyclohexadiene-1,4-dione, 2,3-dimethoxy-5-methyl-(605-94-7) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/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)Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | 2,5-Cyclohexadiene-1,4-dione, 2,3-dimethoxy-5-methyl-: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| F | 8-10-21 |
| Wassergefährdungsklasse (WGK) | 2 |
| Zollcode | 29146990 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
2,3-Dimethoxy-5-methyl-p-benzoquinone (Ubidecarenone EP Impurity A)