1-メチル-1-シクロペンテン

1-Methylcyclopentene

HCID 12746CAS 27476-50-2

部分構造検索類似構造を探す

基本情報

標準SMILES: CC1=CCCC1
InChIKey: ATQUFXWBVZUTKO-UHFFFAOYSA-N
分子式: C6H10
平均分子量: 82.14 g/mol
単同位体質量: 82.07825032

概要

1-methylcyclopentene has been reported in Cinnamomum camphora and Oryza sativa with data available.

名称と識別子

優先名称: 1-Methylcyclopentene
IUPAC: 1-methylcyclopentene
現地名: 1-メチル-1-シクロペンテン
英語名: 1-Methylcyclopentene
分子式: C6H10
分子量: 82.14

名称と別名

1-METHYLCYCLOPENTENE693-89-01-Methyl-1-cyclopenteneCyclopentene, 1-methyl-V03M1DZC9IEINECS 211-762-0NSC 64657NSC-64657RefChem:434590Cyclopentene, 1-methyl-(8CI)Cyclopentene, 1-methyl-(8CI)(9CI)211-762-0

名称をさらに表示

1-メチル-1-シクロペンテン1-メチルシクロペンタ-1-エン1-メチルシクロペンテン1‐メチル‐1‐シクロペンテン1-Methyl-1-cyclopentanecyclopentene,1-methyl-METHYL-CYCLOPENTENECyc1opentene,l-methyl-1-Cyclopentene, 1-methyl1-Methylcyclopentene,96%

InChI=1/C6H10/c1-6-4-2-3-5-6/h4H,2-3,5H2,1H1-methylcyclopent-1-eneCyclopentene, methyl-MethylcyclopenteneUNII-V03M1DZC9I27476-50-2MFCD000013971-methylcyclopentene-1

データベース識別子

CAS: 27476-50-2、693-89-0
PubChem CID: 12746
DTXSID: DTXSID50870755
UNII: V03M1DZC9I
EC Number: 211-762-0
Nikkaji: J22.894J

物性

構造計算による物性

XLogP: 1.8
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: 0
重原子数: 6
形式電荷: 0
複雑度: 70.1

実験および物理化学的性質

SpringerMaterials PropertiesBoiling point

物理化学的性質

融点: -142 °C · -142°C
沸点: 75 · 75-77 °C(lit.)
比重(密度): 0.78 g/mL · 0.78 g/mL at 25 °C(lit.)
屈折率: 20 · n20/D 1.432
闪点: 1 °F · 1 °F
貯蔵温度: Flammables area
外見: 液体
色: 無色透明
BRN: 1900640 · 1900640
Henry's Law Constant: 2.4 · 2.4×10-4 mol/(m3Pa) at 25℃, Hilal et al. (2008)
InChI: InChI=1S/C6H10/c1-6-4-2-3-5-6/h4H,2-3,5H2,1H3
InChIKey: ATQUFXWBVZUTKO-UHFFFAOYSA-N
SMILES: C1(C)CCCC=1
LogP: 2.806 · 2.806 (est)
CAS データベース: 693 · 693-89-0(CAS DataBase Reference)
NISTの化学物質情報: 1 · Cyclopentene, 1-methyl-(693-89-0)
EPAの化学物質情報: 1 · Cyclopentene, 1-methyl- (693-89-0)

化学的性質

化学的特性CLEAR COLOURLESS LIQUID

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger 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 56 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazard Classes and CategoriesFlam. Liq. 2 (100%)

安全データ

F: 10-23
wgk: 3
ridadr: UN 3295 3/PG 2
hs_code: 29021990
risk_code: 11-65
消防法: 危-4-1-II
hazard_code: F,Xn
safety_code: 16-62-7
hazard_class: 3
packing_group: II
Hazard Classifications: Asp. Tox. 1Flam. Liq. 2
ストレージクラス: 3 - Flammable liquids

化学と産業

応用分野 · 1 件

使用1-Methylcyclopentene can be used as:A probe molecule in the synthesis of alkenyl carbenium ions via adsorption on zeolite Y.A model olefin compound in the kinetic study of hydrogenation of olefins using various catalytic systems.A reactant to synthesize 1,2,3-trisubstitutedbenzocyclopentenes by reacting with β-disulfonyl iodonium ylides.