HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
3-(4-Hydroxyphenyl)propan-1-ol
Ai3-12108 · Einecs 233-511-4 · 4-Hydroxy-benzenepropanol · Dihydro-p-coumaryl alcohol · 4-Hydroxybenzene-1-propanol · 4-(3-HYDROXY-PROPYL)-PHENOL · Benzenepropanol, 4-hydroxy- · 3-(4-Hydroxyphenyl)-1-propal
Identifikatoren & physikalische Daten
| CAS No. | 10210-17-0 |
|---|---|
| Summenformel | C9H12O2 |
| Durchschnittliche Molmasse | 152,19 g/mol |
| Monoisotopische Masse | 152,08372962 g/mol |
| SMILES | OCCCc1ccc(O)cc1 |
| InChIKey | NJCVPQRHRKYSAZ-UHFFFAOYSA-N |
| PubChem CID | 82452 |
| ChEBI | CHEBI:179258 |
| EC No. | 233-511-4 |
| DTXSID | DTXSID80144638 |
| Lokaler Name | 3-(4-Hydroxyphenyl)propan-1-ol |
Chemische & physikalische Eigenschaften
| XLogP | 1,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 40,5 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 95,7 |
| Endocrine Disruptors | Potential endocrine disrupting compound |
| Schmelzpunkt | 55 °C51-54 °C (lit.) |
| Physical Description | Solid |
| Siedepunkt | 170 °C(Press: 2 Torr) |
| Dichte | 1.129±0.06 g/cm3(Predicted) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | DMSO (Slightly), Methanol (Slightly) |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 10.05±0.15(Predicted) |
| Farbe | Off-White to Pale Brown |
| InChI | 1S/C9H12O2/c10-7-1-2-8-3-5-9(11)6-4-8/h3-6,10-11H,1-2,7H2 |
| InChIKey | NJCVPQRHRKYSAZ-UHFFFAOYSA-N |
| SMILES | OCCCc1ccc(O)cc1 |
| LogP (Verteilungskoeffizient) | 1.140 (est) |
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 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 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 2907290090 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-37/39 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
3-(4-Hydroxyphenyl)-1-propanol was used in the synthesis of ()-centrolobine.