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Butyrophenon
1-Phenylbutan-1-one · 1-PHENYL-1-BUTANONE · Butanophenone · 1-phenyl-1-butanon · Propyl phenyl ketone · BUTYROPHENONE · Buterophenone · Buthrophenone
Identifikatoren & physikalische Daten
| CAS No. | 495-40-9 |
|---|---|
| Summenformel | C10H12O |
| Durchschnittliche Molmasse | 148,2 g/mol |
| Monoisotopische Masse | 148,088815 g/mol |
| SMILES | CCCC(=O)c1ccccc1 |
| InChIKey | FFSAXUULYPJSKH-UHFFFAOYSA-N |
| PubChem CID | 10315 |
| ChEMBL | CHEMBL193524 |
| EC No. | 207-799-7 |
| DTXSID | DTXSID3047059 |
| Lokaler Name | Butyrophenon |
Chemische & physikalische Eigenschaften
| XLogP | 2,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 17,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 123 |
| Stoffklassen | Other Classes -> Aromatic Ketones |
| SpringerMaterials Properties | Chemical shift |
| Duftstoffe | Fragrance Ingredient (Butyrophenone) -> IFRA transparency List |
| LogP (Verteilungskoeffizient) | 2.66 |
| Aromastoffe | EU Flavoring substances |
| Dampfdruck | 0.08 [mmHg] |
| Physical Description | Colorless liquid[Alfa Aesar MSDS] |
| Schmelzpunkt | 11-13 °C(lit.) |
| Siedepunkt | 228-230 °C(lit.) |
| Dichte | 1.021 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.520(lit.) |
| Flammpunkt | 192 °F |
| Lagerbedingungen | Store below +30°C. |
| Löslichkeit | Chloroform (Slightly), Methanol (Slightly)Insoluble in water. |
| Aggregatzustand | Liquid |
| Wichte | 0.988 |
| Farbe | Clear colorless to yellow |
| Geruch | at 100.00 %. camphor cherry walnut hazelnut |
| Geruchsart | camphoreous |
| Biologische Quelle | synthetic |
| BRN | 508305 |
| Stabilität | Stable. Combustible. Incompatible with strong oxidizing agents. |
| Kosmetik-Inhaltsstoffe Funktionen | PERFUMING |
| InChI | 1S/C10H12O/c1-2-6-10(11)9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3 |
| InChIKey | FFSAXUULYPJSKH-UHFFFAOYSA-N |
| SMILES | CCCC(=O)c1ccccc1 |
| LogP (Verteilungskoeffizient) | 2.770 |
| CAS Datenbank | 495-40-9(CAS DataBase Reference) |
| NIST chemische Informationen | 1-Butanone, 1-phenyl-(495-40-9) |
| EPA chemische Informationen | 1-Butanone, 1-phenyl- (495-40-9) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 67.4% (89 of 132) of all reports.DangerH317 (31.8%): May cause an allergic skin reaction [Warning Sensitization, Skin]P261, P264+P265, P272, P280, P302+P352, P305+P354+P338, P317, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 132 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: 1-Butanone, 1-phenyl-Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)1-Butanone, 1-phenyl-: Does not have an individual approval but may be used under an appropriate group standard |
| Weitere Sicherheitsinformationen | IMAP assessments - 1-Butanone, 1-phenyl-: Human health tier I assessment |
| Gefahrenübersicht | Safe when used as a flavoring agent in food[EFSA] May cause irritation[Alfa Aesar MSDS] |
| Hazard Classes and Categories | Skin Sens. 1 (31.8%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29143900 |
| R-Sätze (R) | 41-43 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36/37/39-24/25-23 |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
Butyrophenone is used as intermediates of Liquid Crystals