4'-Hydroxyoctanophenon

1-Octanone, 1-(4-hydroxyphenyl)- · AI314815 · AI3 14815 · AI3-14815 · 4-Octanoylphenol · 4-Hydroxyoctanophenone · Octanophenone, 4'-hydroxy- · 1-(4-hydroxyphenyl)-1-octanon

https://huagongshe.com/de/chemical/75767

Molekülstruktur von 4'-Hydroxyoctanophenon

Identifikatoren & physikalische Daten

CAS No.	2589-73-3
Summenformel	C14H20O2
Durchschnittliche Molmasse	220,31 g/mol
Monoisotopische Masse	220,14632988 g/mol
SMILES	CCCCCCCC(=O)c1ccc(O)cc1
InChIKey	GPDYSJOGSNWMDZ-UHFFFAOYSA-N
PubChem CID	75767
ChEMBL	CHEMBL213038
EC No.	219-979-2
DTXSID	DTXSID1062542
Lokaler Name	4'-Hydroxyoctanophenon

Chemische & physikalische Eigenschaften

XLogP	4,2
Polarare Oberfläche (TPSA)	37,3
H-Brücken-Donoren	1
H-Brücken-Akzeptoren	2
Frei drehbare Bindungen	7
Schwere Atome	16
Formalladung	0
Komplexität	193
Schmelzpunkt	59-61°C
Siedepunkt	224-225 °C(Press: 10 Torr)
Dichte	1.008±0.06 g/cm3(Predicted)
Löslichkeit	Dichloromethane, Diethyl Ether, Ethyl Acetate
Aggregatzustand	Solid
pKa (Säurekonstante)	8.16±0.15(Predicted)
Farbe	White
BRN	1954746
EPA chemische Informationen	1-Octanone, 1-(4-hydroxyphenyl)- (2589-73-3)

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 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
TSCA-Inventar-Status	TSCA listed
R-Sätze (R)	36/37/38-22
Gefahrensymbole	Xn
Sicherheitshinweise (S)	26-36

Anwendungen & Verwendung

Verwenden

4-Octanoylphenol is an intermediate in the synthesis of 4-Octylphenol Monoethoxylate which is widely used as nonionic surfactants.