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4-(Diethoxymethyl)benzaldehyde
4-(DiethoxymethyL · Terephthaldehyde Mono · 4-(Diethoxymethyl)benzaldehyde · TEREPHTHALALDEHYDE DIETHYL ACETAL · Benzaldehyde, 4-(diethoxymethyl)- · 4-(Diethoxymethyl)benzaldehyde 98% · Terephthaldehyde diethyl monoacetal · TerephthaldehydeMonoDiethylacetal97%
Identifikatoren & physikalische Daten
| CAS No. | 81172-89-6 |
|---|---|
| Summenformel | C12H16O3 |
| Durchschnittliche Molmasse | 208,25 g/mol |
| Monoisotopische Masse | 208,10994437 g/mol |
| SMILES | CCOC(OCC)c1ccc(C=O)cc1 |
| InChIKey | HTMXMFARWHNJDW-UHFFFAOYSA-N |
| PubChem CID | 595993 |
| EC No. | 676-828-7 |
| DTXSID | DTXSID60344331 |
Chemische & physikalische Eigenschaften
| XLogP | 1,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 35,5 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 6 |
| Schwere Atome | 15 |
| Formalladung | 0 |
| Komplexität | 168 |
| Siedepunkt | 89-93 °C (7 mmHg) |
| Dichte | 1.047 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.506(lit.) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Aggregatzustand | liquid (clear) |
| Farbe | clear deep yellow |
| Löslichkeit | soluble in alcohol, chlorinated solvents and toluene. Decomposes in water. |
| BRN | 4293872 |
| InChI | InChI=1S/C12H16O3/c1-3-14-12(15-4-2)11-7-5-10(9-13)6-8-11/h5-9,12H,3-4H2,1-2H3 |
| InChIKey | HTMXMFARWHNJDW-UHFFFAOYSA-N |
| SMILES | C(=O)C1=CC=C(C(OCC)OCC)C=C1 |
| CAS Datenbank | 81172-89-6(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 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Benzaldehyde, 4-(diethoxymethyl)-: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| F | 1-10 |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29124900 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 37/39-26 |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
4-(Diethoxymethyl)benzaldehyde was used in the synthesis of 4-(diethoxymethyl)benzyl alcohol.