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2,3-Dimethoxybenzylalkohol
O-VERATRYL ALCOHOL · (2,3-Dimethoxyphenyl)methanol · 2,3-dimethoxy benzyl alchohol · 2-VERATRYL ALCOHOL · RARECHEM AL BD 0023 · LABOTEST-BB LT02004536 · 2,3-DIMETHOXYBENZYL ALCOHOL · 2,3-Dimethoxybenzenemethanol
Identifikatoren & physikalische Daten
| CAS No. | 5653-67-8 |
|---|---|
| Summenformel | C9H12O3 |
| Durchschnittliche Molmasse | 168,19 g/mol |
| Monoisotopische Masse | 168,07864424 g/mol |
| SMILES | COc1cccc(CO)c1OC |
| InChIKey | CRLBBOBKCLYCJK-UHFFFAOYSA-N |
| PubChem CID | 79738 |
| EC No. | 227-099-5 |
| DTXSID | DTXSID20205090 |
| Lokaler Name | 2,3-Dimethoxybenzylalkohol |
Chemische & physikalische Eigenschaften
| XLogP | 1 |
|---|---|
| Polarare Oberfläche (TPSA) | 38,7 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 127 |
| Schmelzpunkt | 48-51 °C(lit.) |
| Siedepunkt | 138-142 °C10 mm Hg(lit.) |
| Dichte | 1.1322 (rough estimate) |
| Brechungsindex | 1.5470 (estimate) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,2-8°C |
| pKa (Säurekonstante) | 14.16±0.10(Predicted) |
| Aggregatzustand | Crystalline Solid |
| Farbe | White to light beige |
| InChI | InChI=1S/C9H12O3/c1-11-8-5-3-4-7(6-10)9(8)12-2/h3-5,10H,6H2,1-2H3 |
| InChIKey | CRLBBOBKCLYCJK-UHFFFAOYSA-N |
| SMILES | C1(CO)=CC=CC(OC)=C1OC |
| LogP (Verteilungskoeffizient) | 0.645 (est) |
| CAS Datenbank | 5653-67-8(CAS DataBase Reference) |
| NIST chemische Informationen | 2,3-Dimethoxybenzyl alcohol(5653-67-8) |
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)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | Benzenemethanol, 2,3-dimethoxy-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right. |
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29094980 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 24/25-36/37-26 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
2,3-Dimethoxybenzyl alcohol has been used to study the solvent isotope effect (D2O versus H2O) on photomethanolysis efficiency and on fluorescence intensity.