Allylbenzene

HCID 9309CAS 300-57-2

部分構造検索類似構造を探す

基本情報

標準SMILES: C=CCc1ccccc1
InChIKey: HJWLCRVIBGQPNF-UHFFFAOYSA-N
分子式: C9H10
平均分子量: 118.18 g/mol
単同位体質量: 118.07825032

概要

allylbenzene has been reported in Alpinia officinarum and Daucus carota with data available.

名称と識別子

優先名称: Allylbenzene
IUPAC: prop-2-enylbenzene
英語名: 2-Propenylbenzene
分子式: C9H10
分子量: 118.1757

名称と別名

ALLYLBENZENE300-57-23-PhenylpropeneProp-2-enylbenzene1-BenzyletheneBenzene, allyl-1-Phenyl-2-propene1-Propene, 3-phenyl-DTXSID00861855RefChem:110901DTXCID70810719206-095-7

名称をさらに表示

2-PropenylbenzeneBenzene, 2-propenyl-Allyl benzene(prop-2-en-1-yl)benzeneBenzene, 2-propen-1-yl-MFCD000086513VT7C9MEQ9ALLYLBENZENE-2,3,4,5,6-D5

データベース識別子

CAS: 300-57-2
PubChem CID: 9309
DTXSID: DTXSID00861855
ChEMBL: CHEMBL501879
UNII: 3VT7C9MEQ9
EC Number: 206-095-7
Nikkaji: J24.323J

物性

構造計算による物性

XLogP: 3.2
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: 2
重原子数: 9
形式電荷: 0
複雑度: 78

実験および物理化学的性質

Chemical ClassesOther Classes -> Aromatic Hydrocarbons

SpringerMaterials PropertiesBoiling point

LogP3.23

Vapor Pressure1.69 [mmHg]

Physical DescriptionClear light yellow liquid; [Aldrich MSDS]

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H226 (98.8%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P280, P301+P316, P303+P361+P353, P331, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 84 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 2 件

Chemical: Benzene, 2-propenyl-

Allylbenzene: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - Benzene, 2-propenyl-: Environment tier I assessment

Hazards Summary · 1 件

Causes somnolence and coma in oral lethal-dose studies of rats; Causes changes in cochlear structure/function and weight loss in 2-week intermittent oral study of rats; [RTECS] May cause irritation; Harmful by ingestion; Aspiration may cause lung damage; [Aldrich MSDS]

Hazard Classes and CategoriesFlam. Liq. 3 (98.8%)