Pentamethylbenzene

Identifikatoren & physikalische Daten

CAS No.	700-12-9
Summenformel	C11H16
Durchschnittliche Molmasse	148,24 g/mol
Monoisotopische Masse	148,12520051 g/mol
SMILES	Cc1cc(C)c(C)c(C)c1C
InChIKey	BEZDDPMMPIDMGJ-UHFFFAOYSA-N
PubChem CID	12784
ChEMBL	CHEMBL5316190
ChEBI	CHEBI:38998
EC No.	211-837-8
DTXSID	DTXSID6061024

XLogP	4,6
Polarare Oberfläche (TPSA)	0
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	0
Frei drehbare Bindungen	0
Schwere Atome	11
Formalladung	0
Komplexität	114
Stoffklassen	Other Classes -> Aromatic Hydrocarbons
SpringerMaterials Properties	13C nuclear magnetic resonance spectrum
LogP (Verteilungskoeffizient)	4.56
Dampfdruck	0.03 [mmHg]
Physical Description	White solid[Alfa Aesar MSDS]
Schmelzpunkt	54.5 °C
Siedepunkt	232 °C
Dichte	0.921 g/cm3

GHS-Einstufung	DangerH228 (94.1%): Flammable solid [Danger Flammable solids]P210, P240, P241, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 51 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Regulatorische Informationen	Pentamethylbenzene: Does not have an individual approval but may be used under an appropriate group standard
Gefahrenübersicht	Induces hepatic microsomal cytochrome P-450 & associated monooxygenases. [ChemIDplus] May cause irritation[Alfa Aesar MSDS] See Hexamethylbenzene.
Hazard Classes and Categories	Flam. Sol. 1 (94.1%)
Alarmwort	Achtung
Gefahrenhinweise	Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H228