HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
1-Phenyl-2-buten-1-on
Crotonophenone · 2-Butenoylbenzene · 1-Phenyl-2-buten-1-on · PHENYL PROPENYL KETONE · 1-Phenyl-2-buten-1-one · 1-PHENYL-BUT-2-EN-1-ONE · 1-Propenylphenyl ketone · Phenylpropenylketone80+%
Identifikatoren & physikalische Daten
| CAS No. | 495-41-0 |
|---|---|
| Summenformel | C10H10O |
| Durchschnittliche Molmasse | 146,19 g/mol |
| Monoisotopische Masse | 146,07316494 g/mol |
| SMILES | CC=CC(=O)c1ccccc1 |
| InChIKey | FUJZJBCWPIOHHN-UHFFFAOYSA-N |
| PubChem CID | 71090 |
| EC No. | 207-800-0 |
| DTXSID | DTXSID10870559 |
| Lokaler Name | 1-Phenyl-2-buten-1-on |
Chemische & physikalische Eigenschaften
| XLogP | 1,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 17,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 152 |
| Schmelzpunkt | 20.5°C |
| Siedepunkt | 122 °C / 12mmHg |
| Dichte | 1,03 g/cm3 |
| Brechungsindex | 1.5600-1.5640 |
| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2–8 °C |
| Aggregatzustand | clear liquid |
| Farbe | White to Yellow to Green |
| InChI | InChI=1S/C10H10O/c1-2-6-10(11)9-7-4-3-5-8-9/h2-8H,1H3 |
| InChIKey | FUJZJBCWPIOHHN-UHFFFAOYSA-N |
| SMILES | C(C1=CC=CC=C1)(=O)C=CC |
| CAS Datenbank | 495-41-0 |
| EPA chemische Informationen | Crotonophenone (495-41-0) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract 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)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%)Eye Irrit. 2 (100%)STOT SE 3 (100%) |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 2914390090 |
| R-Sätze (R) | 36/37/38 |
| Sicherheitshinweise (S) | 26-36/37/39 |
Anwendungen & Verwendung
Verwenden
1-Phenyl-2-buten-1-one is used in the preparation of chalcones derivatives and analogs and for the testing of their antimicrobial activities.