1-Phenyloctan-1-on

1-Octanone, 1-phenyl- · N-OCTANOPHENONE · Octanophenone · CAPRYLOPHENONE · noctylacylbenzene · 1-phenyl-1-octanon · n-Octanophenone>TIMTEC-BB SBB008388 · 1-Phenyl-1-octanone

https://huagongshe.com/de/chemical/74291

Identifikatoren & physikalische Daten

CAS No.	1674-37-9
Summenformel	C14H20O
Durchschnittliche Molmasse	204,31 g/mol
Monoisotopische Masse	204,15141526 g/mol
SMILES	CCCCCCCC(=O)c1ccccc1
InChIKey	UDEVCZRUNOLVLU-UHFFFAOYSA-N
PubChem CID	74291
EC No.	216-817-2
DTXSID	DTXSID5061871
Lokaler Name	1-Phenyloctan-1-on

Chemische & physikalische Eigenschaften

XLogP	4,6
Polarare Oberfläche (TPSA)	17,1
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	1
Frei drehbare Bindungen	7
Schwere Atome	15
Formalladung	0
Komplexität	168
SpringerMaterials Properties	Chemical shift
Schmelzpunkt	21.5-23.5 °C(lit.)
Siedepunkt	285-290 °C(lit.)
Dichte	0.936 g/mL at 25 °C(lit.)
Brechungsindex	n20/D 1.5044(lit.)
Flammpunkt	>230 °F
Lagerbedingungen	2-8°C
Aggregatzustand	Liquid
Farbe	Clear colorless to slightly yellow
Löslichkeit	Soluble in hot ethanol, acetone, toluene and other common organic solvents. Insoluble in water.
BRN	1868534
InChI	InChI=1S/C14H20O/c1-2-3-4-5-9-12-14(15)13-10-7-6-8-11-13/h6-8,10-11H,2-5,9,12H2,1H3
InChIKey	UDEVCZRUNOLVLU-UHFFFAOYSA-N
SMILES	C(C1=CC=CC=C1)(=O)CCCCCCC
CAS Datenbank	1674-37-9(CAS DataBase Reference)
EPA chemische Informationen	Octanophenone (1674-37-9)

Sicherheit & Vorschriften

GHS-Einstufung	This chemical does not meet GHS hazard criteria for 100% (37 of 37) of all reports.Not ClassifiedAggregated GHS information provided per 37 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard Classes and Categories	Not Classified
Wassergefährdungsklasse (WGK)	3
TSCA-Inventar-Status	TSCA listed
Zollcode	29143900
Sicherheitshinweise (S)	23-24/25
Lagerklasse	10 - Combustible liquids

Anwendungen & Verwendung

Verwenden

Octanophenone is used as a pharmaceutical intermediate.