537470
Isobutyl acetate
99%
Synonym(s):
Acetic acid isobutyl ester
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About This Item
Linear Formula:
CH3COOCH2CH(CH3)2
CAS Number:
Molecular Weight:
116.16
UNSPSC Code:
12352108
NACRES:
NA.21
PubChem Substance ID:
EC Number:
203-745-1
Beilstein/REAXYS Number:
1741909
MDL number:
Assay:
99%
Bp:
115-117 °C (lit.)
Vapor pressure:
15 mmHg ( 20 °C)
vapor density
>4 (vs air)
Quality Level
vapor pressure
15 mmHg ( 20 °C)
assay
99%
autoignition temp.
793 °F
expl. lim.
10.5 %
impurities
≤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
General description
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.
Application
- 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).
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signalword
Danger
hcodes
Hazard Classifications
Flam. Liq. 2 - STOT SE 3
target_organs
Central nervous system
Storage Class
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
Regulatory Information
危险化学品
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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
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)
Global Trade Item Number
| SKU | GTIN |
|---|---|
| 537470-25ML | 04061832565712 |
| 537470-1L | 04061832565705 |
| 537470-3L | 04061832565729 |