HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
6-Phenyl-1-hexanol
PHENYLHEXANOL · 6-Phenylhexan-1-ol · BENZENEHEXANOL · 6-PHENYLHEXANOL · Benzene-1-hexanol · 6-PHENYL-A-HEXANOL · 6-Phenyl hexanol-1 · 6-PHENYL-N-HEXANOL
Identifikatoren & physikalische Daten
| CAS No. | 2430-16-2 |
|---|---|
| Summenformel | C12H18O |
| Durchschnittliche Molmasse | 178,27 g/mol |
| Monoisotopische Masse | 178,1357652 g/mol |
| SMILES | OCCCCCCc1ccccc1 |
| InChIKey | FDXBUMXUJRZANT-UHFFFAOYSA-N |
| PubChem CID | 520110 |
| ChEMBL | CHEMBL3730920 |
| EC No. | 626-069-2 |
| DTXSID | DTXSID50179033 |
Chemische & physikalische Eigenschaften
| XLogP | 3,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 20,2 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 6 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 106 |
| Siedepunkt | 154-155 °C11 mm Hg(lit.) |
| Dichte | 0.953 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.511(lit.) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Refrigerator |
| Löslichkeit | Chloroform (Slightly), Methanol (Slightly) |
| Aggregatzustand | Liquid |
| pKa (Säurekonstante) | 15.19±0.10(Predicted) |
| Farbe | Clear colorless |
| BRN | 1939893 |
| Stabilität | Stable. Combustible. Incompatible with strong oxidizing agents. |
| InChI | 1S/C12H18O/c13-11-7-2-1-4-8-12-9-5-3-6-10-12/h3,5-6,9-10,13H,1-2,4,7-8,11H2 |
| InChIKey | FDXBUMXUJRZANT-UHFFFAOYSA-N |
| SMILES | OCCCCCCc1ccccc1 |
| CAS Datenbank | 2430-16-2(CAS DataBase Reference) |
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 | 29062900 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-37/39 |
| Lagerklasse | 10 - Combustible liquids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
6-Phenylhexanol (cas# 2430-16-2) is a compound useful in organic synthesis.