Pentamethylbenzene

識別子と物理属性

CAS No.	700-12-9
分子式	C11H16
平均分子量	148.24 g/mol
単同位体質量	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
極性表面積	0
水素結合供与体数	0
水素結合受容体数	0
回転可能結合数	0
重原子数	11
形式電荷	0
複雑度	114
物質分類	Other Classes -> Aromatic Hydrocarbons
SpringerMaterials Properties	13C nuclear magnetic resonance spectrum
LogP（分配係数）	4.56
蒸気圧	0.03 [mmHg]
Physical Description	White solid[Alfa Aesar MSDS]
融点	54.5 °C
沸点	232 °C
密度	0.921 g/cm3

GHS 分類	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.
規制情報	Pentamethylbenzene: Does not have an individual approval but may be used under an appropriate group standard
有害性の概要	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%)
注意喚起語	危険
危険有害性情報	コード危険有害性情報危険有害性クラス区分注意喚起語シンボル P コード H228