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Desoxybenzoin
1,2-Diphenylethan-1-one · 1,2-Diphenylethanone · DEOXYBENZOIN · DESOXYBENZOIN · Diphenylethanone · BENZYL PHENYL KETONE · ALPHA-PHENYLACETOPHENONE · NSC 6097
Identifikatoren & physikalische Daten
| CAS No. | 451-40-1 |
|---|---|
| Summenformel | C14H12O |
| Durchschnittliche Molmasse | 196,24 g/mol |
| Monoisotopische Masse | 196,088815 g/mol |
| SMILES | O=C(Cc1ccccc1)c1ccccc1 |
| InChIKey | OTKCEEWUXHVZQI-UHFFFAOYSA-N |
| PubChem CID | 9948 |
| ChEMBL | CHEMBL3182695 |
| EC No. | 207-193-2 |
| DTXSID | DTXSID6044430 |
| Lokaler Name | Desoxybenzoin |
Chemische & physikalische Eigenschaften
| XLogP | 3,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 17,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 15 |
| Formalladung | 0 |
| Komplexität | 197 |
| Stoffklassen | Other Classes -> Aromatic Ketones |
| SpringerMaterials Properties | Boiling point |
| LogP (Verteilungskoeffizient) | 3.18 |
| Physical Description | White crystalline solid[Alfa Aesar MSDS] |
| Schmelzpunkt | 54-55 °C (lit.) |
| Siedepunkt | 320 °C (lit.) |
| Dichte | 1,2 g/cm3 |
| Brechungsindex | 1.5920 (estimate) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | methanol: 0.1 g/mL, clearSoluble in water (partly), methanol, alcohols, and ketones. |
| Aggregatzustand | Crystalline Powder |
| Farbe | White to off-white |
| BRN | 1072876 |
| InChI | 1S/C14H12O/c15-14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-10H,11H2 |
| InChIKey | OTKCEEWUXHVZQI-UHFFFAOYSA-N |
| SMILES | O=C(Cc1ccccc1)c2ccccc2 |
| CAS Datenbank | 451-40-1(CAS DataBase Reference) |
| NIST chemische Informationen | Ethanone, 1,2-diphenyl-(451-40-1) |
| EPA chemische Informationen | Ethanone, 1,2-diphenyl- (451-40-1) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 66.7% (2 of 3) of all reports.WarningH315 (33.3%): 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 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Ethanone, 1,2-diphenyl-Status: Active Update: 27-09-2016 https://echa.europa.eu/registration-dossier/-/registered-dossier/18186Ethanone, 1,2-diphenyl-: Does not have an individual approval but may be used under an appropriate group standard |
| Gefahrenübersicht | Intravenous LD50 (mouse) = 320 mg/kg[RTECS] May cause irritation[Alfa Aesar MSDS] See Benzoin and Hydrobenzoin. |
| Hazard Classes and Categories | Skin Irrit. 2 (33.3%) |
| F | 8-10 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29143900 |
| RTECS-Nr. | AM9662500 |
| Toxizität | LD50 ivn-mus: 320 mg/kg CSLNX* NX#03836 |
| Sicherheitshinweise (S) | 22-24/25 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
2-Phenylacetophenone is a benzoin derivative used as a photoinitiator in vinyl polymerization.