HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
1-Propanone, 1-(4-hydroxy-3,5-dimethoxyphenyl)-
Propiosyringone · 4-Propionylsyringol · Propiosyringone, 10 mM in DMSO · 4'-Hydroxy-3',5'-dimethoxypropiophenone · 3',5'-Dimethoxy-4'-hydroxypropiophenone · 1-(4-Hydroxy-3,5-dimethoxyphenyl)propan-1-one · 1-(4-Hydroxy-3,5-dimethoxyphenyl)-1-propanone · 1-(3,5-Dimethoxy-4-hydroxyphenyl)-1-propanone
Identifikatoren & physikalische Daten
| CAS No. | 5650-43-1 |
|---|---|
| Summenformel | C11H14O4 |
| Durchschnittliche Molmasse | 210,23 g/mol |
| Monoisotopische Masse | 210,08920892 g/mol |
| SMILES | CCC(=O)c1cc(OC)c(O)c(OC)c1 |
| InChIKey | CXCPJZXJNRBTGF-UHFFFAOYSA-N |
| PubChem CID | 79735 |
| EC No. | 864-611-1 |
| DTXSID | DTXSID10884176 |
Chemische & physikalische Eigenschaften
| XLogP | 0,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 55,8 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 15 |
| Formalladung | 0 |
| Komplexität | 203 |
| Aromastoffe | EU Flavoring substances |
| Schmelzpunkt | 113–115°C |
| Siedepunkt | 347.1±37.0 °C(Predicted) |
| Dichte | 1.143±0.06 g/cm3(Predicted) |
| pKa (Säurekonstante) | 8.94±0.36(Predicted) |
| Henry-Konstante | 3.8×105 mol/(m3Pa) at 25℃, McFall et al. (2020) |
| LogP (Verteilungskoeffizient) | 2.208 (est) |
| EPA chemische Informationen | 1-Propanone, 1-(4-hydroxy-3,5-dimethoxyphenyl)- (5650-43-1) |
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)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.1-Propanone, 1-(4-hydroxy-3,5-dimethoxyphenyl)-: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| TSCA-Inventar-Status | TSCA listed |
Herstellung & Synthese
synthetische
Preparation by oxidation of (3,5-dimethoxy- 4-hydroxy-phenyl)ethylcarbinol also named 1-(4-hydroxy-3,5-di-methoxyphenyl)-1-propanol, with DDQ in dioxane at r.t. for 16 h (70%) ; using silver oxide in sodium hydroxide.