HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
3-(4-Methoxyphenyl)propanal
ANISYL PROPANAL · 3-(4-METHOXYPHENYL)PROPANAL · 4-Methoxybenzenepropanal · Benzenepropanal, 4-Methoxy- · 4-Methoxybenzenepropionaldehyde · 3-(4-methoxyphenyl)propylaldehyde · 3-(4-METHOXY-PHENYL)-PROPIONALDEHYDE · 3-(4-Methoxyphenyl)propionaldehyde 95%
Identifikatoren & physikalische Daten
| CAS No. | 20401-88-1 |
|---|---|
| Summenformel | C10H12O2 |
| Durchschnittliche Molmasse | 164,2 g/mol |
| Monoisotopische Masse | 164,08372962 g/mol |
| SMILES | COc1ccc(CCC=O)cc1 |
| InChIKey | ZOXCMZXXNOSBHU-UHFFFAOYSA-N |
| PubChem CID | 11126607 |
| ChEBI | CHEBI:193706 |
| EC No. | 686-908-3 |
| DTXSID | DTXSID60456100 |
Chemische & physikalische Eigenschaften
| XLogP | 1,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 26,3 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 126 |
| Siedepunkt | 149-150 °C(Press: 9 Torr) |
| Dichte | 1.037 g/mL at 25 °C |
| Brechungsindex | n20/D 1.529 |
| Flammpunkt | >110°C |
| Lagerbedingungen | Inert atmosphere,Store in freezer, under -20°C |
| Aggregatzustand | liquid |
| InChI | 1S/C10H12O2/c1-12-10-6-4-9(5-7-10)3-2-8-11/h4-8H,2-3H2,1H3 |
| InChIKey | ZOXCMZXXNOSBHU-UHFFFAOYSA-N |
| SMILES | COc1ccc(CCC=O)cc1 |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Hazard Classes and Categories | Skin Sens. 1 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| R-Sätze (R) | 43 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 36/37 |
| Lagerklasse | 10 - Combustible liquids |
| Gefahrenklasse | Skin Sens. 1 |
Anwendungen & Verwendung
Verwenden
3-(4-methoxyphenyl)propanal is a useful reactant/reagent for organic reactions and synthesis.