Valerophenon

1-PHENYL-1-PENTANONE · Methylpropiophenone · aromatic ketone · 1-Pentanone, 1-phenyl- · n-Valerophenone · Valerophenone 99% · BUTYL PHENYL KETONE · NSC 58959

https://huagongshe.com/de/chemical/66093

Identifikatoren & physikalische Daten

CAS No.	1009-14-9
Summenformel	C11H14O
Durchschnittliche Molmasse	162,23 g/mol
Monoisotopische Masse	162,10446507 g/mol
SMILES	CCCCC(=O)c1ccccc1
InChIKey	XKGLSKVNOSHTAD-UHFFFAOYSA-N
PubChem CID	66093
ChEMBL	CHEMBL372105
ChEBI	CHEBI:36812
EC No.	213-767-3
DTXSID	DTXSID0061406
Lokaler Name	Valerophenon

Chemische & physikalische Eigenschaften

XLogP	3
Polarare Oberfläche (TPSA)	17,1
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	1
Frei drehbare Bindungen	4
Schwere Atome	12
Formalladung	0
Komplexität	134
Siedepunkt	245.00 °C. @ 760.00 mm Hg244-245 °C (lit.)
Schmelzpunkt	-9.4 °C-9 °C
Physical Description	Liquid
Kovats Retention Index	13271359.51355.61365.71366.21372.61373.21378.713741375137613801364
Dichte	0.975 g/mL at 20 °C (lit.)
Brechungsindex	n20/D 1.5143(lit.)
Flammpunkt	217 °F
Lagerbedingungen	Sealed in dry,Room Temperature
Löslichkeit	Chloroform (Sparingly), Ethyl Acetate (Slightly)Insoluble in water.
Aggregatzustand	Liquid
Farbe	Clear light yellow to yellow-green
Wichte	0.98
Geruch	at 100.00 %. balsam valerian
Geruchsart	balsamic
BRN	1907717
Stabilität	Stable. Flammable. Incompatible with strong oxidizing agents, acids, bases, plastics.
InChI	1S/C11H14O/c1-2-3-9-11(12)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3
InChIKey	XKGLSKVNOSHTAD-UHFFFAOYSA-N
SMILES	CCCCC(=O)c1ccccc1
LogP (Verteilungskoeffizient)	2.79
CAS Datenbank	1009-14-9(CAS DataBase Reference)
NIST chemische Informationen	1-Pentanone, 1-phenyl-(1009-14-9)
EPA chemische Informationen	1-Pentanone, 1-phenyl- (1009-14-9)

Sicherheit & Vorschriften

GHS-Einstufung	This chemical does not meet GHS hazard criteria for 80% (4 of 5) of all reports.WarningH315 (20%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (20%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (20%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract 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 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 4 of 5 reports by companies.There is 1 notification provided by 1 of 5 reports by companies with hazard statement code(s).Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Regulatorische Informationen	Status: Active Update: 20-09-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/326871-Pentanone, 1-phenyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and Categories	Skin Irrit. 2 (20%)Eye Irrit. 2A (20%)STOT SE 3 (20%)
Wassergefährdungsklasse (WGK)	3
TSCA-Inventar-Status	TSCA listed
Zollcode	29143990
R-Sätze (R)	36/37/38
Gefahrensymbole	Xi
Sicherheitshinweise (S)	22-24/25-36-26
Lagerklasse	10 - Combustible liquids

Anwendungen & Verwendung

Verwenden

Valerophenone is an aromatic ketone that is often used as a tool in the study of various photochemical processes. It is used as intermediates of liquid crystals. It is also an inhibitor of the enzyme carbonyl reductase.