537470

酢酸イソブチル

99%

• 別名: 酢酸イソブチルエステル
• 化学式: CH₃COOCH₂CH(CH₃)₂
• CAS番号: 110-19-0
• 分子量: 116.16
• Beilstein: 1741909
• EC Number: 203-745-1
• MDL番号: MFCD00008932
• UNSPSCコード: 12352108
• PubChem Substance ID: 329757982
• NACRES: NA.21
• bp: 115-117 °C (lit.)

特性

• 蒸気密度: >4 (vs air)
• 蒸気圧: 15 mmHg ( 20 °C)
• アッセイ: 99%
• フォーム: liquid
• 自己発火温度: 793 °F
• expl. lim.: 10.5 %
• 不純物: ≤0.050% (water)
• 屈折率: n20/D 1.39 (lit.)
• pH: 6.7 (20 °C, 5 g/L)
• bp: 115-117 °C (lit.)
• mp: −99 °C (lit.)
• 溶解性: water: soluble 5.6 g/L at 20 °C
• 密度: 0.867 g/mL at 25 °C (lit.)
• SMILES記法: CC(C)COC(C)=O
• InChI: 1S/C6H12O2/c1-5(2)4-8-6(3)7/h5H,4H2,1-3H3
• InChI Key: GJRQTCIYDGXPES-UHFFFAOYSA-N

詳細

詳細

Isobutyl acetate (IBA), one of the isomers of butyl acetate, is an odorant found in fruits. Vapor-liquid equilibria of its binary mixture with isobutyl alcohol at 20 and 101.3kPa have been evaluated. Its synthesis via lipase-catalyzed esterification reaction has been reported.

アプリケーション

• Green Synthesis of the Flavor Esters with a Marine Candida parapsilosis Esterase Expressed in Saccharomyces cerevisiae.: This study demonstrates a green synthesis approach using a marine esterase for the production of flavor esters, including isobutyl acetate. The process employs Saccharomyces cerevisiae, showcasing the potential for sustainable production of flavoring agents in the food and beverage industry (Xue et al., 2020).


• In-line reaction monitoring of entacapone synthesis by Raman spectroscopy and multivariate analysis.: This research employs Raman spectroscopy to monitor the synthesis of entacapone in real-time. Isobutyl acetate is utilized as a solvent in the reaction, highlighting its relevance in pharmaceutical synthesis and process monitoring (Novak et al., 2011).


• Paint thinner exposure inhibits testosterone synthesis and secretion in a reversible manner in the rat.: This study investigates the effects of paint thinner exposure, which contains isobutyl acetate, on testosterone synthesis in rats. The findings provide insights into the potential endocrine-disrupting properties of isobutyl acetate in industrial applications (Yilmaz et al., 2006).


• Preparation of spherically agglomerated crystals of aminophylline.: This research explores the preparation of aminophylline crystals using isobutyl acetate as a solvent. The study emphasizes the compound′s utility in pharmaceutical formulations to enhance drug solubility and bioavailability (Kawashima et al., 1984).

安全性情報

• ピクトグラム: GHS02,GHS07
• シグナルワード: Danger
• 危険有害性情報: H225,H336
• 注意書き: P210 - P233 - P240 - P241 - P242 - P243
• 危険有害性の分類: Flam. Liq. 2 - STOT SE 3
• ターゲットの組織: Central nervous system
• 保管分類コード: 3 - Flammable liquids
• WGK: WGK 1
• 引火点(°F): 71.6 °F - Pensky-Martens closed cup
• 引火点(℃): 22 °C - Pensky-Martens closed cup