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4-Hydroxy-3,5-dimethoxybenzylalkohol
SYRINGOL · 3,5-DIMETHOXY-4-HYDROXYBENZYL ALCOHOL · FEMA 3137 · 2,6-DIMETOXYPHENOL · PYROGALLOL 1,3-DIMETHYL ETHER · 4-(Hydroxymethyl)-2,6-dimethoxyphenol · SYRINGIC ALCOHOL · RARECHEM AL BD 0102
Identifikatoren & physikalische Daten
| CAS No. | 530-56-3 |
|---|---|
| Summenformel | C9H12O4 |
| Durchschnittliche Molmasse | 184,19 g/mol |
| Monoisotopische Masse | 184,07355886 g/mol |
| SMILES | COc1cc(CO)cc(OC)c1O |
| InChIKey | LUOAEJWSKPQLJD-UHFFFAOYSA-N |
| PubChem CID | 10741 |
| ChEBI | CHEBI:86948 |
| EC No. | 208-485-2 |
| DTXSID | DTXSID00201050 |
| Lokaler Name | 4-Hydroxy-3,5-dimethoxybenzylalkohol |
Chemische & physikalische Eigenschaften
| XLogP | 0,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 58,9 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 137 |
| Aromastoffe | EU Flavoring substances |
| Schmelzpunkt | 50-57 °C(lit.) |
| Siedepunkt | 261 °C(lit.) |
| Dichte | 1.230±0.06 g/cm3(Predicted) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Store at -20°C |
| Löslichkeit | Sparingly soluble (0.40 g/L at 25°C). |
| pKa (Säurekonstante) | 9.77±0.23(Predicted) |
| Aggregatzustand | Solid |
| Farbe | Pale Brown to Light Brown |
| BRN | 1873975 |
| LogP (Verteilungskoeffizient) | 0.063 (est) |
| CAS Datenbank | 530-56-3(CAS DataBase Reference) |
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 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)Benzenemethanol, 4-hydroxy-3,5-dimethoxy-: Does not have an individual approval but may be used under an appropriate group standard |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 2811 6.1/PG 1 |
| RTECS-Nr. | SL0900000 |
| R-Sätze (R) | 22-36/37/38 |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 26-36 |
Anwendungen & Verwendung
Verwenden
4-Hydroxy-3,5-dimethoxybenzyl alcohol is a 2,4,6- substituted phenol with antiviral properties.