425206

2-(Methylthio)cyclohexanone

98%

• 化学式: CH₃SC₆H₉(=O)
• CAS番号: 52190-35-9
• 分子量: 144.23
• MDL番号: MFCD00209603
• UNSPSCコード: 12352100
• PubChem Substance ID: 24866619

特性

• アッセイ: 98%
• フォーム: liquid
• 屈折率: n20/D 1.508 (lit.)
• bp: 45 °C/10.1 mmHg (lit.)
• 密度: 1.069 g/mL at 25 °C (lit.)
• SMILES記法: CSC1CCCCC1=O
• InChI: 1S/C7H12OS/c1-9-7-5-3-2-4-6(7)8/h7H,2-5H2,1H3
• InChI Key: QFABNUVNDKOIEH-UHFFFAOYSA-N

詳細

詳細

2-(Methylthio)cyclohexanone is a 2-substituted cyclohexanone. The proportion of axial and equatorial conformation has been measured in chloroform by the Eliel method. It suggests that the in chloroform steric effect dominates over polar effect in contributing to the conformational preference.[1] The stereoselectivity of the reduction of 2-(methylthio)cyclohexanone using different hydrides has been studied.[2]

アプリケーション

2-(Methylthio)cyclohexanone may be used as a ketone substrate for the synthesis of cyclic nitrones, by reacting with aspergillusol A.[2]

安全性情報

• ピクトグラム: GHS07
• シグナルワード: Warning
• 危険有害性情報: H315,H319,H335
• 注意書き: P261 - P264 - P271 - P280 - P302 + P352 - P305 + P351 + P338
• 危険有害性の分類: Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
• ターゲットの組織: Respiratory system
• 保管分類コード: 10 - Combustible liquids
• WGK: WGK 3
• 引火点(°F): 192.2 °F - closed cup
• 引火点(℃): 89 °C - closed cup
• 個人用保護具 (PPE): Eyeshields, Gloves, type ABEK (EN14387) respirator filter