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537470

Sigma-Aldrich

Isobutyl acetate

99%

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Synonym(s):
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
PubChem Substance ID:
329757982
NACRES:
NA.21

vapor density

>4 (vs air)

Quality Level

100

vapor pressure

15 mmHg ( 20 °C)

Assay

99%

form

liquid

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

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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.

Pictograms

FlameExclamation mark
GHS02,GHS07

Signal Word

Danger

Hazard Statements

H225 - H336

Precautionary Statements

P210

Hazard Classifications

Flam. Liq. 2 - STOT SE 3

Target Organs

Central nervous system

Supplementary Hazards

EUH066

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

Regulatory Information

危险化学品

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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)
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
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)
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
Bayram Yilmaz et al.
Reproductive toxicology (Elmsford, N.Y.), 22(4), 791-796 (2006-09-19)
Occupational exposure and sniffing of toluene-based organic solvents is an important public health problem. In this study, we have investigated the effects of paint thinner inhalation on testosterone synthesis and secretion in the male rat. A control group inhaled normal
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