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2,4-Dimethoxybenzylalkohol
(2,4-DIMETHOXYPHENYL)METHANOL · 2,4-Dimethoxybenzyl · AI3-52354 · RARECHEM AL BD 0025 · 2,4-dimethoxybenzylol · 2,4-DIMETHOXYBENZYL ALCOHOL · 2,4-Dimethoxybenzenemethanol · 2,4-Dimethoxybenzyl Alcohol >Benzenemethanol, 2,4-dimethoxy-
Identifikatoren & physikalische Daten
| CAS No. | 7314-44-5 |
|---|---|
| Summenformel | C9H12O3 |
| Durchschnittliche Molmasse | 168,19 g/mol |
| Monoisotopische Masse | 168,07864424 g/mol |
| SMILES | COc1ccc(CO)c(OC)c1 |
| InChIKey | RNKOUSCCPHSCFE-UHFFFAOYSA-N |
| PubChem CID | 81750 |
| EC No. | 230-775-2 |
| DTXSID | DTXSID40223397 |
| Lokaler Name | 2,4-Dimethoxybenzylalkohol |
Chemische & physikalische Eigenschaften
| XLogP | 1,5 |
|---|---|
| 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 | 38-40 °C(lit.) |
| Siedepunkt | 177-179 °C10 mm Hg(lit.) |
| Dichte | 1.1322 (rough estimate) |
| Brechungsindex | 1.545-1.548 |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| Löslichkeit | Chloroform (Slightly), Methanol (Slightly)Soluble in alcohol. Insoluble in water. |
| pKa (Säurekonstante) | 14.18±0.10(Predicted) |
| Aggregatzustand | Low Melting Solid |
| Farbe | Colourless to Off-White |
| BRN | 2091660 |
| InChI | 1S/C9H12O3/c1-11-8-4-3-7(6-10)9(5-8)12-2/h3-5,10H,6H2,1-2H3 |
| InChIKey | RNKOUSCCPHSCFE-UHFFFAOYSA-N |
| SMILES | COc1ccc(CO)c(OC)c1 |
| LogP (Verteilungskoeffizient) | 1.109 (est) |
| CAS Datenbank | 7314-44-5(CAS DataBase Reference) |
| NIST chemische Informationen | 2,4-Dimethoxybenzyl alcohol(7314-44-5) |
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. 2 (100%)STOT SE 3 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29062990 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 24/25-36/37-26 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
2, 4-Dimethoxybenzyl alcohol is used as a medical intermediate.