HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
1-Phenylethanol, (R)-
(R)-1-PHENYLETHANOL · (R)-(+)-sec-Phene · (R)-styralyl alcohol · (R)-(+)-PHENYLETHANOL · (R)-Phenylethanol 99% · 1-Phenylethanol, (R)- · (R)-1-phenyl-1-ethanol · (R)-(+)-1-PHENYLETHANOL
Identifikatoren & physikalische Daten
| CAS No. | 1517-69-7 |
|---|---|
| Summenformel | C8H10O |
| Durchschnittliche Molmasse | 122,16 g/mol |
| Monoisotopische Masse | 122,07316494 g/mol |
| SMILES | C[C@@H](O)c1ccccc1 |
| InChIKey | WAPNOHKVXSQRPX-SSDOTTSWSA-N |
| PubChem CID | 637516 |
| ChEMBL | CHEMBL151062 |
| ChEBI | CHEBI:45616 |
| EC No. | 604-814-2 |
| DTXSID | DTXSID00164853 |
Chemische & physikalische Eigenschaften
| XLogP | 1,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 20,2 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 74,6 |
| Arzneimittel | Pharmaceuticals -> Listed in ZINC15 |
| Schmelzpunkt | 11-Sep °C9-11 °C (lit.) |
| Siedepunkt | 88-89 °C/10 mmHg (lit.) |
| Dichte | 1.012 g/mL at 20 °C (lit.) |
| Brechungsindex | n20/D 1.528 |
| Flammpunkt | 85 °C |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | 20g/l20 G/L (20 ºC) |
| pKa (Säurekonstante) | 14.43±0.20(Predicted) |
| Aggregatzustand | clear liquid |
| Farbe | Colorless to Light yellow |
| Geruch | at 100.00 %. floral earthy green honeysuckle |
| pH | 7 (H2O) |
| Geruchsart | floral |
| BRN | 2039798 |
| Stabilität | Stable. Flammable. Incompatible with strong acids, strong oxidizing agents. |
| InChI | 1S/C8H10O/c1-7(9)8-5-3-2-4-6-8/h2-7,9H,1H3/t7-/m1/s1 |
| InChIKey | WAPNOHKVXSQRPX-SSDOTTSWSA-N |
| SMILES | C[C@@H](O)c1ccccc1 |
| LogP (Verteilungskoeffizient) | 1.420 |
| CAS Datenbank | 1517-69-7(CAS DataBase Reference) |
| NIST chemische Informationen | Benzenemethanol, «alpha»-methyl-, (R)-(1517-69-7) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (97.8%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Benzenemethanol, .alpha.-methyl-, (R)-(R)-(+)-1-Phenylethanol: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Acute Tox. 4 (97.8%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 2937 6.1/PG 3 |
| Zollcode | 29062990 |
| R-Sätze (R) | 22-38-41-36/37/38 |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 26-39-37/39 |
| Gefahrenklasse | 6.1Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2 |
| Verpackungsgruppe | III |
| Lagerklasse | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
Anwendungen & Verwendung
Verwenden
(R)-(+)-1-Phenylethanol is used in the synthesis of optically active products. It is also useful in the determination of enantiomeric purity and for resolutions of acids.