HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4-Propoxybenzaldehyde
4-PROPOXYBENZALDEHYDE · P-PROPOXYBENZALDEHYDE · 4-propoxy-benzaldehyd · Benzaldehyde, 4-propoxy- · NSC 32509 · NSC 406729 · WLN: VHR DO3 · ASISCHEM V31873
Identifikatoren & physikalische Daten
| CAS No. | 5736-85-6 |
|---|---|
| Summenformel | C10H12O2 |
| Durchschnittliche Molmasse | 164,2 g/mol |
| Monoisotopische Masse | 164,08372962 g/mol |
| SMILES | CCCOc1ccc(C=O)cc1 |
| InChIKey | FGXZWMCBNMMYPL-UHFFFAOYSA-N |
| PubChem CID | 79812 |
| EC No. | 611-515-0 |
| DTXSID | DTXSID0063991 |
Chemische & physikalische Eigenschaften
| XLogP | 2,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 26,3 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 126 |
| Endocrine Disruptors | Potential endocrine disrupting compound |
| Schmelzpunkt | 268 °C |
| Siedepunkt | 129-130 °C/10 mmHg (lit.) |
| Dichte | 1.039 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.546(lit.) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Aggregatzustand | clear liquid |
| Farbe | Colorless to Light orange to Yellow |
| Wichte | 1.06 |
| BRN | 743408 |
| InChI | InChI=1S/C10H12O2/c1-2-7-12-10-5-3-9(8-11)4-6-10/h3-6,8H,2,7H2,1H3 |
| InChIKey | FGXZWMCBNMMYPL-UHFFFAOYSA-N |
| SMILES | C(=O)C1=CC=C(OCCC)C=C1 |
| CAS Datenbank | 5736-85-6(CAS DataBase Reference) |
| EPA chemische Informationen | Benzaldehyde, 4-propoxy- (5736-85-6) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, 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 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29124990 |
| RTECS-Nr. | CU7700000 |
| R-Sätze (R) | 20/21/22-36/37/38 |
| Gefahrensymbole | Xn,Xi |
| Sicherheitshinweise (S) | 26-27-36/37/39 |
| Gefahrenklasse | IRRITANTAcute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
4-Propoxybenzaldehyde was used in the preparation of (2S,4S,5R)-(±)-2-(4-propoxyphenyl)-3,4-dimethyl-5-phenyl-1,3-oxazolidine via condensation with 1-ephedrine.