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2,4-Dimethoxybenzaldehyd
Benzaldehyde, 2,4-dimethoxy- · NSC 27023 · 2,4-Dimethoxy · AKOS BBS-00003182 · 2,4-DimethoxybenzaL · 2,4-Dimethoxybenzald · 2-Methoxyanisaldehyde · LABOTEST-BB LT00928518
Identifikatoren & physikalische Daten
| CAS No. | 613-45-6 |
|---|---|
| Summenformel | C9H10O3 |
| Durchschnittliche Molmasse | 166,17 g/mol |
| Monoisotopische Masse | 166,06299418 g/mol |
| SMILES | COc1ccc(C=O)c(OC)c1 |
| InChIKey | LWRSYTXEQUUTKW-UHFFFAOYSA-N |
| PubChem CID | 69175 |
| ChEMBL | CHEMBL234216 |
| ChEBI | CHEBI:228972 |
| EC No. | 210-342-4 |
| DTXSID | DTXSID3022081 |
| Lokaler Name | 2,4-Dimethoxybenzaldehyd |
Chemische & physikalische Eigenschaften
| XLogP | 1,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 35,5 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 147 |
| Stoffklassen | Other Classes -> Benzaldehydes |
| Endocrine Disruptors | Potential endocrine disrupting compound |
| Physical Description | Off-white crystalline solid[Alfa Aesar MSDS] |
| Schmelzpunkt | 67-69 °C (lit.) |
| Siedepunkt | 165 °C/10 mmHg (lit.) |
| Dichte | 1.1708 (rough estimate) |
| Brechungsindex | 1.5260 (estimate) |
| Flammpunkt | 165°C/10mm |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Löslichkeit | Chloroforminsoluble |
| Aggregatzustand | Fine Crystalline Powder |
| Farbe | White to slightly brown |
| BRN | 607989 |
| InChI | 1S/C9H10O3/c1-11-8-4-3-7(6-10)9(5-8)12-2/h3-6H,1-2H3 |
| InChIKey | LWRSYTXEQUUTKW-UHFFFAOYSA-N |
| SMILES | COc1ccc(C=O)c(OC)c1 |
| LogP (Verteilungskoeffizient) | 1.660 (est) |
| CAS Datenbank | 613-45-6(CAS DataBase Reference) |
| NIST chemische Informationen | Benzaldehyde, 2,4-dimethoxy-(613-45-6) |
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 46 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Benzaldehyde, 2,4-dimethoxy-: Does not have an individual approval but may be used under an appropriate group standard |
| Gefahrenübersicht | A skin and strong eye irritant[Alfa Aesar MSDS] See 2,5-Dimethoxybenzyl alcohol. |
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29124900 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36-24/25 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
2,4-Dimethoxybenzaldehyde is used as a reagent to specifically quantify phlorotannins. It is also used as a component of hair dyes.