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Merck
CN

537470

Sigma-Aldrich

乙酸异丁酯

99%

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别名:
乙酸异丁酯
线性分子式:
CH3COOCH2CH(CH3)2
CAS号:
分子量:
116.16
Beilstein:
1741909
EC 号:
MDL编号:
UNSPSC代码:
12352108
PubChem化学物质编号:
NACRES:
NA.21

蒸汽密度

>4 (vs air)

质量水平

蒸汽压

15 mmHg ( 20 °C)

检测方案

99%

形式

liquid

自燃温度

793 °F

expl. lim.

10.5 %

杂质

≤0.050% (water)

折射率

n20/D 1.39 (lit.)

pH值(酸碱度)

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字符串

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

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一般描述

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。

应用


  • 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).

象形图

FlameExclamation mark

警示用语:

Danger

危险声明

预防措施声明

危险分类

Flam. Liq. 2 - STOT SE 3

靶器官

Central nervous system

补充剂危害

WGK

WGK 1

闪点(°F)

Pensky-Martens closed cup

闪点(°C)

Pensky-Martens closed cup

法规信息

危险化学品

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Rabia Alghazeer et al.
Food chemistry, 108(3), 801-810 (2008-06-01)
The effect of frozen storage on lipid peroxidation in Atlantic mackerel (Scomber scombrus) stored for up to 26 weeks at -10 or -80°C (control), with and without green tea antioxidants, was investigated. Hydroperoxides (PV) and aldehydes (TBARS) were measured by
Isobaric vapor-liquid equilibria for the binary systems isobutyl alcohol+ isobutyl acetate and tert-butyl alcohol+tert-butyl acetate at 20 and 101.3 kPa.
Monton JB, et al.
Fluid Phase Equilibria, 227(1), 19-25 (2005)
Determination of low phosphate concentrations in seawater by an isobutyl acetate extraction procedure.
Cescon BS and Scarazzato PG.
Limnology and Oceanography, 18(3), 499-500 (1973)
Günter E Jeromin et al.
Biotechnology letters, 30(5), 925-928 (2008-01-16)
A new irreversible esterification method for carboxylic acids catalyzed by a lipase from Candida antarctica (Novozyme 435) in organic solvents has been developed. The water produced during the process is chemically destroyed by a corresponding ester of acetoacetate, which acts
Y H Yoon et al.
American Industrial Hygiene Association journal, 51(6), 319-325 (1990-06-01)
A previously developed theoretical model was applied to investigate contaminant breakthrough on charcoal sampling tubes. Associated with the model are two important theoretical parameters. These parameters are k' (a rate constant) and tau (the time required for 50% contaminant breakthrough).

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