537470

乙酸异丁酯

99%

• 别名: 乙酸异丁酯
• 线性分子式: CH₃COOCH₂CH(CH₃)₂
• CAS号: 110-19-0
• 分子量: 116.16
• Beilstein: 1741909
• EC號碼: 203-745-1
• MDL號碼: MFCD00008932
• 分類程式碼代碼: 12352108
• PubChem物質ID: 329757982
• NACRES: NA.21

属性

• 蒸汽密度: >4 (vs air)
• 蒸汽壓力: 15 mmHg ( 20 °C)
• 化驗: 99%
• 形狀: liquid
• 自燃溫度: 793 °F
• expl. lim.: 10.5 %
• 雜質: ≤0.050% (water)
• 折射率: n20/D 1.39 (lit.)
• pH值: 6.7 (20 °C, 5 g/L)
• bp: 115-117 °C (lit.)
• mp: −99 °C (lit.)
• 溶解度: water: soluble 5.6 g/L at 20 °C
• 密度: 0.867 g/mL at 25 °C (lit.)
• SMILES 字串: CC(C)COC(C)=O
• InChI: 1S/C6H12O2/c1-5(2)4-8-6(3)7/h5H,4H2,1-3H3
• InChI 密鑰: GJRQTCIYDGXPES-UHFFFAOYSA-N

说明

一般說明

乙酸异丁酯（IBA）是乙酸丁酯的一种异构体，是在水果中发现的一种香味剂。 已经评估了它与异丁醇的二元混合物在20和101.3kPa时的汽液平衡。 已经报道了它可以通过脂肪酶催化的酯化反应进行合成。

應用

• 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).

安全信息

• 象形圖: GHS02,GHS07
• 訊號詞: Danger
• 危險聲明: H225,H336
• 防範說明: P210 - P233 - P240 - P241 - P242 - P243
• 危險分類: Flam. Liq. 2 - STOT SE 3
• 標靶器官: Central nervous system
• 儲存類別代碼: 3 - Flammable liquids
• 水污染物質分類（WGK）: WGK 1
• 閃點（°F）: 71.6 °F - Pensky-Martens closed cup
• 閃點（°C）: 22 °C - Pensky-Martens closed cup