HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
1,3-Bis(2-methoxyphenoxy)-2-propanol
Guaifenesin Impurity 4 · NSC 142122 · Dianisylglycerol · Guaicol Impurity D · EPO Dimer impurity · Guaiacol Impurity D · GUAIFENSIN IMPURITY-D · Antileishmanial agent-32
Identifikatoren & physikalische Daten
| CAS No. | 16929-60-5 |
|---|---|
| Summenformel | C17H20O5 |
| Durchschnittliche Molmasse | 304,34 g/mol |
| Monoisotopische Masse | 304,13107373 g/mol |
| SMILES | COc1ccccc1OCC(O)COc1ccccc1OC |
| InChIKey | SSNCGCIXFDVLFP-UHFFFAOYSA-N |
| PubChem CID | 97669 |
| EC No. | 642-037-0 |
| DTXSID | DTXSID90168688 |
Chemische & physikalische Eigenschaften
| XLogP | 2,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 57,2 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 5 |
| Frei drehbare Bindungen | 8 |
| Schwere Atome | 22 |
| Formalladung | 0 |
| Komplexität | 271 |
| Schmelzpunkt | 73-74.2℃ (ethyl ether ) |
| Siedepunkt | 165-225 °C(Press: 9 Torr) |
| Dichte | 1.167±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | Chloroform (Slightly), Ethyl Acetate (Slightly) |
| pKa (Säurekonstante) | 13.38±0.20(Predicted) |
| Aggregatzustand | Solid |
| Farbe | White to Off-White |
| BRN | 2003232 |
| Stabilität | Hygroscopic |
| Hauptanwendungen | pharmaceutical |
| InChI | 1S/C17H20O5/c1-19-14-7-3-5-9-16(14)21-11-13(18)12-22-17-10-6-4-8-15(17)20-2/h3-10,13,18H,11-12H2,1-2H3 |
| InChIKey | SSNCGCIXFDVLFP-UHFFFAOYSA-N |
| SMILES | OC(COC1=C(OC)C=CC=C1)COC2=CC=CC=C2OC |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (97.5%): 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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (97.5%) |
| Wassergefährdungsklasse (WGK) | 3 |
| RTECS-Nr. | UA7374000 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
1,3-Bis(2-methoxyphenoxy)-2-propanol is an impurity of Atenolol (A790075), a cardioselective β-adrenergic blocker. 1,3-Bis(2-methoxyphenoxy)-2-propanol is also used in various preparations of organic synthetic compounds.