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1-Phenylheptan-1-on
Hexyl Phenyl Ketone · ENANTHOPHENONE · Heptanophenone · phenylheptanone · N-HEPTANOPHENONE · Heptanophenone>Heptanophenone 98% · 1-phenyl-1-heptanon · 1-PHENYL-1-HEPTANONE
Identifikatoren & physikalische Daten
| CAS No. | 1671-75-6 |
|---|---|
| Summenformel | C13H18O |
| Durchschnittliche Molmasse | 190,28 g/mol |
| Monoisotopische Masse | 190,1357652 g/mol |
| SMILES | CCCCCCC(=O)c1ccccc1 |
| InChIKey | UXMQORVHJMUQFD-UHFFFAOYSA-N |
| PubChem CID | 74282 |
| ChEMBL | CHEMBL3184477 |
| ChEBI | CHEBI:167824 |
| EC No. | 216-802-0 |
| DTXSID | DTXSID9048194 |
| Lokaler Name | 1-Phenylheptan-1-on |
Chemische & physikalische Eigenschaften
| XLogP | 4,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 17,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 6 |
| Schwere Atome | 14 |
| Formalladung | 0 |
| Komplexität | 157 |
| SpringerMaterials Properties | Boiling point |
| Schmelzpunkt | 17 °C (lit.) |
| Siedepunkt | 155 °C/15 mmHg (lit.) |
| Dichte | 0.946 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.5077(lit.) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Storage temp. 2-8°C |
| Aggregatzustand | Liquid |
| Farbe | Clear slightly yellow to yellow |
| BRN | 1865692 |
| InChI | InChI=1S/C13H18O/c1-2-3-4-8-11-13(14)12-9-6-5-7-10-12/h5-7,9-10H,2-4,8,11H2,1H3 |
| InChIKey | UXMQORVHJMUQFD-UHFFFAOYSA-N |
| SMILES | C(C1=CC=CC=C1)(=O)CCCCCC |
| CAS Datenbank | 1671-75-6(CAS DataBase Reference) |
| EPA chemische Informationen | Heptanophenone (1671-75-6) |
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 77 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 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29143900 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-37/39 |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
Heptanophenone was employed as test compound to compare the kinetic performance of monolithic and fused-core capillary C(18) columns in isocratic-elution liquid chromatography.