Fenipentol

pc1 · D52 · N8L · phbc · PrLZ · PC 1 · PH BC · NSC 8478

Identifikatoren & physikalische Daten

CAS No.	583-03-9
Summenformel	C11H16O
Durchschnittliche Molmasse	164,24 g/mol
Monoisotopische Masse	164,12011513 g/mol
SMILES	CCCCC(O)c1ccccc1
InChIKey	OVGORFFCBUIFIA-UHFFFAOYSA-N
PubChem CID	3338
ChEMBL	CHEMBL2104321
ChEBI	CHEBI:31600
EC No.	209-493-9
DTXSID	DTXSID4046818
Lokaler Name	Fenipentol

XLogP	2,9
Polarare Oberfläche (TPSA)	20,2
H-Brücken-Donoren	1
H-Brücken-Akzeptoren	1
Frei drehbare Bindungen	4
Schwere Atome	12
Formalladung	0
Komplexität	106
Schmelzpunkt	<25 °C
Siedepunkt	137°C 2mm
Dichte	0,96 g/cm3
Brechungsindex	1.5080
Flammpunkt	137°C/2mm
Lagerbedingungen	Sealed in dry,Room Temperature
pKa (Säurekonstante)	14.43±0.20(Predicted)
Aggregatzustand	clear liquid
Farbe	Colorless to Almost colorless
Merck	14,3975
BRN	1908761
InChI	InChI=1S/C11H16O/c1-2-3-9-11(12)10-7-5-4-6-8-10/h4-8,11-12H,2-3,9H2,1H3
InChIKey	OVGORFFCBUIFIA-UHFFFAOYSA-N
SMILES	C(C1C=CC=CC=1)(O)CCCC
CAS Datenbank	583-03-9(CAS DataBase Reference)
NIST chemische Informationen	Fenipentol(583-03-9)
EPA chemische Informationen	Benzenemethanol, .alpha.-butyl- (583-03-9)

GHS-Einstufung	WarningH319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]P264+P265, P273, P280, P305+P351+P338, P337+P317, P391, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Eye Irrit. 2 (100%)
TSCA-Inventar-Status	TSCA listed
Zollcode	2906.29.6000
RTECS-Nr.	DN8780000
Sicherheitshinweise (S)	24/25

Biliary dyskinesia;Choleretic