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3,5-Dimethoxybenzylalkohol
(3,5-DIMETHOXYPHENYL)METHANOL · 3,5-Dimethoxybenzyl · RARECHEM AL BD 0065 · 3,5-DIMETHOXYBENZYL ALCOHOL · 3,5-DIMETHOXYBENZYL ALCOHOLE · 3,5-Dimethoxybenzenemethanol · 3,5-dimethoxybenzenemethylol · 3,5-DimethoxybenzylAlcohol>3,5-Dimethoxybenzyl alcohol 99%
Identifikatoren & physikalische Daten
| CAS No. | 705-76-0 |
|---|---|
| Summenformel | C9H12O3 |
| Durchschnittliche Molmasse | 168,19 g/mol |
| Monoisotopische Masse | 168,07864424 g/mol |
| SMILES | COc1cc(CO)cc(OC)c1 |
| InChIKey | AUDBREYGQOXIFT-UHFFFAOYSA-N |
| PubChem CID | 69718 |
| EC No. | 211-888-6 |
| DTXSID | DTXSID80220769 |
| Lokaler Name | 3,5-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 | 115 |
| Schmelzpunkt | 43-46 °C(lit.) |
| Siedepunkt | 183-186°C 20mm |
| Dichte | 1.1322 (rough estimate) |
| Brechungsindex | 1.5470 (estimate) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | Chloroform (Slightly), Methanol (Slightly) |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 14.24±0.10(Predicted) |
| Farbe | White to Off-White |
| BRN | 1866305 |
| InChI | InChI=1S/C9H12O3/c1-11-8-3-7(6-10)4-9(5-8)12-2/h3-5,10H,6H2,1-2H3 |
| InChIKey | AUDBREYGQOXIFT-UHFFFAOYSA-N |
| SMILES | C1(CO)=CC(OC)=CC(OC)=C1 |
| LogP (Verteilungskoeffizient) | 1.102 (est) |
| CAS Datenbank | 705-76-0(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract 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. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%)Eye Irrit. 2A (100%)STOT SE 3 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29094990 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 22-24/25-36/37-26 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Beschreibung
3,5-Dimethoxybenzyl alcohol (L1 OH) is an important pharmaceutical intermediate and also the starting material for the family of dendritic polymers LnOH (the integer n indicates the number of ‘branching’ layers). 3,5-Dimethoxybenzyl alcohol can be used as an organic synthesis raw material to prepare compounds such as 3,5-Dimethoxybenzonitrile, 3-hydroxy-5-methoxybenzaldehyde, and 5,7-Dimethoxyindan-1-one.
Verwenden
3,5-Dimethoxybenzyl Alcohol is used in the synthesis of Resveratrol (R150000).