Hexylbenzene

HCID 14109CAS 1077-16-3

部分構造検索類似構造を探す

基本情報

標準SMILES: CCCCCCc1ccccc1
InChIKey: LTEQMZWBSYACLV-UHFFFAOYSA-N
分子式: C12H18
平均分子量: 162.27 g/mol
単同位体質量: 162.14085058

概要

Hexylbenzene is a member of benzenes.

名称と識別子

優先名称: Hexylbenzene
IUPAC: hexylbenzene
英語名: 1-Phenylhexane
分子式: C12H18
分子量: 162.27132

名称と別名

Hexylbenzene1-Phenylhexane1077-16-3N-HEXYLBENZENEBenzene, hexyl-Hexane, 1-phenyl-8E3D1A2BZPNSC-86141DTXSID8061476RefChem:146361DTXCID0033091214-070-7

名称をさらに表示

MFCD000095261-hexylbenzeneHexylbenzene, 97%6-PHENYLHEXANEEINECS 214-070-7CHEBI:88569BAA07716NSC86141

データベース識別子

CAS: 1077-16-3
PubChem CID: 14109
DTXSID: DTXSID8061476
ChEBI: CHEBI:88569
UNII: 8E3D1A2BZP
EC Number: 214-070-7
Nikkaji: J45.916J

物性

構造計算による物性

XLogP: 5.5
極性表面積: 0 Å²
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: 5
重原子数: 12
形式電荷: 0
複雑度: 90.2

実験および物理化学的性質

SolventsSolvents -> Aromatic Solvents

SpringerMaterials PropertiesBoiling point

LogP5.24

Vapor Pressure0.12 [mmHg]

Physical DescriptionClear colorless liquid; [MSDSonline]

物理化学的性質

融点: -61 °C · -61 °C
沸点: 226.1 °C · 226.1 °C
比重(密度): 0.852 g/cm3 · 0.852 g/cm3(Temp: 19 °C)

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 6.2% (3 of 48) of reports.

Warning

H315 (93.8%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 48 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.