1-[4-(2-Phenylethyl)phenyl]ethan-1-on

4-Acetylbibenzyl · 4'-Phenethylacetophenone · 4-ACETYLBIBENZYL(WXG02447) · 1-(4-Phenethylphenyl)ethanone · 1-(4-Phenethylphenyl)ethan-1-one · 1-(4-Acetylphenyl)-2-phenylethane · 1-[4-(2-Phenylethyl)phenyl]ethanone · 1-[4-(2-phenylethyl)phenyl]ethan-1-one

https://huagongshe.com/de/chemical/69918

Molekülstruktur von 1-[4-(2-Phenylethyl)phenyl]ethan-1-on

Identifikatoren & physikalische Daten

CAS No.	785-78-4
Summenformel	C16H16O
Durchschnittliche Molmasse	224,3 g/mol
Monoisotopische Masse	224,12011513 g/mol
SMILES	CC(=O)c1ccc(CCc2ccccc2)cc1
InChIKey	KIRXEYNVGWVPRO-UHFFFAOYSA-N
PubChem CID	69918
EC No.	212-323-6
DTXSID	DTXSID90229127
Lokaler Name	1-[4-(2-Phenylethyl)phenyl]ethan-1-on

Chemische & physikalische Eigenschaften

XLogP	3,8
Polarare Oberfläche (TPSA)	17,1
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	1
Frei drehbare Bindungen	4
Schwere Atome	17
Formalladung	0
Komplexität	232
Schmelzpunkt	68 °C
Aggregatzustand	solid
InChI	1S/C16H16O/c1-13(17)16-11-9-15(10-12-16)8-7-14-5-3-2-4-6-14/h2-6,9-12H,7-8H2,1H3
InChIKey	KIRXEYNVGWVPRO-UHFFFAOYSA-N
SMILES	CC(=O)c1ccc(CCc2ccccc2)cc1

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 2 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-[4-(2-phenylethyl)phenyl]-
Weitere Sicherheitsinformationen	Evaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Hazard Classes and Categories	Skin Irrit. 2 (100%)
Wassergefährdungsklasse (WGK)	WGK 3
Zollcode	2912290090
Gefahrenklasse	IRRITANT
Lagerklasse	11 - Combustible Solids