2-イソプロペニルトルエン

O,alpha-dimethylstyrene

HCID 81886CAS 26444-18-8

部分構造検索類似構造を探す

基本情報

標準SMILES: C=C(C)c1ccccc1C
InChIKey: OGMSGZZPTQNTIK-UHFFFAOYSA-N
分子式: C10H12
平均分子量: 132.2 g/mol
単同位体質量: 132.09390038

概要

o,alpha-Dimethylstyrene has been reported in Punica granatum and Chrysanthemum morifolium with data available.

名称と識別子

優先名称: O,alpha-dimethylstyrene
IUPAC: 1-methyl-2-prop-1-en-2-ylbenzene
現地名: メチル(1-メチルエテニル)ベンゼン
英語名: 2-Isopropenyltoluene
分子式: C10H12
分子量: 132.2

名称と別名

2-Isopropenyltoluene7399-49-7o-Isopropenyltolueneo,alpha-Dimethylstyrene1-methyl-2-prop-1-en-2-ylbenzeneBenzene, 1-methyl-2-(1-methylethenyl)-C7WB5C8JTREINECS 230-996-4NSC-54362DTXSID202247812-(1-METHYLETHENYL)TOLUENENSC 54362

名称をさらに表示

イソプロペニルトルエンシメネンメチル(1-メチルエテニル)ベンゼンCymeneneα,2-Dimethylstyreneα,2-dimethylstyrenear,α-dimethyl-styreneALPHA,2-DIMETHYLSTYRENEɑ,2-Dimethylstyrene, 99%^a,2-Dimethylstyrene, 99%

1-METHYL-2-(1-METHYLETHENYL)BENZENERefChem:854999DTXCID50147272230-996-41-Methyl-2-(prop-1-en-2-yl)benzene26444-18-8Benzene, methyl(1-methylethenyl)-isopropenyltoluene

データベース識別子

CAS: 26444-18-8、7399-49-7
PubChem CID: 81886
DTXSID: DTXSID20224781
UNII: C7WB5C8JTR
EC Number: 230-996-4、621-906-8
Nikkaji: J91.270K

物性

構造計算による物性

XLogP: 3.7
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: 1
重原子数: 10
形式電荷: 0
複雑度: 124

実験および物理化学的性質

SpringerMaterials PropertiesBoiling point

物理化学的性質

融点: -59.27 °C · -59.27°C (estimate)
沸点: 54 °C11 · 54 °C11 mm Hg(lit.)
比重(密度): 0.894 g/mL · 0.894 g/mL at 25 °C(lit.)
屈折率: 20 · n20/D 1.515(lit.)
闪点: 110 °F · 110 °F
LogP: 3.782 · 3.782 (est)

安全と法規制

GHS分類

GHS Classification · 6 件

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]