HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4-Phenylbutan-1-ol
4-phenylbutan-1-ol · 4-PHENYL-1-BUTANOL · benzenebutanol · 4-PHENYL BUTANOL · 4-Hexyl-1-butanol · 4-PHENYLBUTANOL-1 · 4-PHENYL-N-BUTANOL · 1-Phenyl-4-butanol
Identifikatoren & physikalische Daten
| CAS No. | 3360-41-6 |
|---|---|
| Summenformel | C10H14O |
| Durchschnittliche Molmasse | 150,22 g/mol |
| Monoisotopische Masse | 150,10446507 g/mol |
| SMILES | OCCCCc1ccccc1 |
| InChIKey | LDZLXQFDGRCELX-UHFFFAOYSA-N |
| PubChem CID | 76889 |
| ChEMBL | CHEMBL5590376 |
| EC No. | 222-128-8 |
| DTXSID | DTXSID3062994 |
| Lokaler Name | 4-Phenylbutan-1-ol |
Chemische & physikalische Eigenschaften
| XLogP | 2,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 20,2 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 84,9 |
| SpringerMaterials Properties | Optical coefficient |
| Siedepunkt | 140-142 °C14 mm Hg(lit.) |
| Dichte | 0.984 g/mL at 20 °C(lit.) |
| Brechungsindex | n20/D 1.521(lit.) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | Almost insoluble in water, soluble in alcohol and oils |
| Aggregatzustand | Liquid |
| pKa (Säurekonstante) | 15.13±0.10(Predicted) |
| Farbe | Clear colorless |
| Geruch | Sweet, but rather heavy, herbaceous-rosy odor |
| Geruchsart | floral |
| BRN | 2042122 |
| Henry-Konstante | 6.7×100 mol/(m3Pa) at 25℃, Altschuh et al. (1999) |
| Stabilität | Stable. Combustible. Incompatible with strong oxidizing agents. |
| InChI | 1S/C10H14O/c11-9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7,11H,4-5,8-9H2 |
| InChIKey | LDZLXQFDGRCELX-UHFFFAOYSA-N |
| SMILES | OCCCCc1ccccc1 |
| LogP (Verteilungskoeffizient) | 2.350 |
| CAS Datenbank | 3360-41-6(CAS DataBase Reference) |
| NIST chemische Informationen | Benzenebutanol(3360-41-6) |
| EPA chemische Informationen | Benzenebutanol (3360-41-6) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 66.7% (2 of 3) of all reports.H412 (33.3%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]P273, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | Chemical: BenzenebutanolStatus: Active Update: 03-07-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/26363Benzenebutanol: Does not have an individual approval but may be used under an appropriate group standard |
| Weitere Sicherheitsinformationen | Evaluation - Chemicals that are unlikely to require further regulation to manage risks to environment |
| Hazard Classes and Categories | Aquatic Chronic 3 (33.3%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29062900 |
| RTECS-Nr. | 222-128-8 |
| R-Sätze (R) | 34 |
| Gefahrensymbole | Xi,C |
| Sicherheitshinweise (S) | 23-24/25-45-36/37/39-27-26 |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
4-Phenyl-1-butanol is used as a reagent in the synthesis of substituted pyrrolidine-2-carboxylic acids which are used in the treatment of AT2 receptor function associated diseases.