537470

Isobutyl acetate

99%

• 동의어(들): Acetic acid isobutyl ester
• Linear Formula: CH₃COOCH₂CH(CH₃)₂
• CAS Number: 110-19-0
• Molecular Weight: 116.16
• Beilstein: 1741909
• EC Number: 203-745-1
• MDL number: MFCD00008932
• UNSPSC 코드: 12352108
• PubChem Substance ID: 329757982
• NACRES: NA.21

속성

• vapor density: >4 (vs air)
• Quality Level: 100
• vapor pressure: 15 mmHg ( 20 °C)
• 분석: 99%
• 형태: liquid
• autoignition temp.: 793 °F
• expl. lim.: 10.5 %
• 불순물: ≤0.050% (water)
• refractive index: n20/D 1.39 (lit.)
• pH: 6.7 (20 °C, 5 g/L)
• bp: 115-117 °C (lit.)
• mp: −99 °C (lit.)
• solubility: water: soluble 5.6 g/L at 20 °C
• density: 0.867 g/mL at 25 °C (lit.)
• SMILES string: 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

설명

일반 설명

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.

애플리케이션

• 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).

안전성 정보

• 픽토그램: GHS02,GHS07
• 신호어: Danger
• 유해 및 위험 성명서: H225,H336
• 예방조치 성명서: P210 - P233 - P240 - P241 - P242 - P243
• Hazard Classifications: Flam. Liq. 2 - STOT SE 3
• 표적 기관: Central nervous system
• Storage Class Code: 3 - Flammable liquids
• WGK: WGK 1
• Flash Point (°F): 71.6 °F - Pensky-Martens closed cup
• Flash Point (°C): 22 °C - Pensky-Martens closed cup