1-(4-Butoxyphenyl)ethan-1-on

Bufexamac Impurity · 4. N-butylmethacin · Bufexamac Imp. (EP) · TIMTEC-BB SBB008354 · 4-BUTOXYACETOPHENONE · P-BUTOXYACETOPHENONE · 4'-BUTOXYACETOPHENONE · Protirelin Impurity 15

https://huagongshe.com/de/chemical/79814

Molekülstruktur von 1-(4-Butoxyphenyl)ethan-1-on

Identifikatoren & physikalische Daten

CAS No.	5736-89-0
Summenformel	C12H16O2
Durchschnittliche Molmasse	192,25 g/mol
Monoisotopische Masse	192,11502975 g/mol
SMILES	CCCCOc1ccc(C(C)=O)cc1
InChIKey	YYLCJWIQUFHYMY-UHFFFAOYSA-N
PubChem CID	79814
EC No.	227-248-4
DTXSID	DTXSID0063993
Lokaler Name	1-(4-Butoxyphenyl)ethan-1-on

Chemische & physikalische Eigenschaften

XLogP	2,9
Polarare Oberfläche (TPSA)	26,3
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	2
Frei drehbare Bindungen	5
Schwere Atome	14
Formalladung	0
Komplexität	169
Schmelzpunkt	25-27°C
Siedepunkt	302-304 °C(lit.)
Dichte	1.017 g/mL at 25 °C(lit.)
Brechungsindex	n20/D 1.531(lit.)
Flammpunkt	>230 °F
Lagerbedingungen	Sealed in dry,Room Temperature
Löslichkeit	very faint turbidity in Methanol
Aggregatzustand	powder to lump to clear liquid
Farbe	White or Colorless to Almost white or Almost colorless
BRN	637894
InChI	1S/C12H16O2/c1-3-4-9-14-12-7-5-11(6-8-12)10(2)13/h5-8H,3-4,9H2,1-2H3
InChIKey	YYLCJWIQUFHYMY-UHFFFAOYSA-N
SMILES	CCCCOc1ccc(cc1)C(C)=O
CAS Datenbank	5736-89-0(CAS DataBase Reference)
EPA chemische Informationen	Ethanone, 1-(4-butoxyphenyl)- (5736-89-0)

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 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Regulatorische Informationen	PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Hazard Classes and Categories	Skin Irrit. 2 (100%)
Wassergefährdungsklasse (WGK)	3
TSCA-Inventar-Status	TSCA listed
Zollcode	29145090
R-Sätze (R)	36/38
Gefahrensymbole	Xi
Sicherheitshinweise (S)	26-36
Gefahrenklasse	IRRITANT
Lagerklasse	11 - Combustible Solids

Anwendungen & Verwendung

Verwenden

4′-Butoxyacetophenone (4-Butoxyacetophenone) may be used to synthesize:3,5-di-(4-butoxyphenyl)-1H-pyrazole(E)-1-(4-butoxyphenyl)-3-phenylprop-2-en-1-one5-aryl-6H-1,3,4-thiadiazine