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94823

Supelco

Isobutyl acetate

analytical standard

Synonym(s):

Acetic acid isobutyl ester

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About This Item

Linear Formula:
CH3COOCH2CH(CH3)2
CAS Number:
Molecular Weight:
116.16
Beilstein/REAXYS Number:
1741909
EC Number:
MDL number:
UNSPSC Code:
85151701
PubChem Substance ID:
NACRES:
NA.24

grade

analytical standard

Quality Level

vapor density

>4 (vs air)

vapor pressure

15 mmHg ( 20 °C)

assay

>99.8% (GC)

autoignition temp.

793 °F

shelf life

limited shelf life, expiry date on the label

expl. lim.

10.5 %

technique(s)

HPLC: suitable
gas chromatography (GC): suitable

refractive index

n20/D 1.39 (lit.)
n20/D 1.390

bp

115-117 °C (lit.)

mp

−99 °C (lit.)

density

0.867 g/mL at 25 °C (lit.)

application(s)

cleaning products
cosmetics
environmental
flavors and fragrances
food and beverages
personal care

format

neat

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 is a chemical compound, commonly used as a solvent and flavoring agent in food products.

Application

Isobutyl acetate may be used as a reference standard for the determination of isobutyl acetate in dry and sweet white wines using headspace solid-phase microextraction followed by high resolution gas chromatography technique (HS-SPME-HRGC).
Isobutyl acetate may be used as an analytical reference standard for the quantification of the analyte in wine samples, aqueous essence and fresh fruit puree of musk melon using different chromatography techniques.
Isobutyl acetate may be used as a reference standard for the determination of isobutyl acetate in dry and sweet white wines using headspace solid-phase microextraction followed by high resolution gas chromatography technique (HS-SPME-HRGC).
Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.

pictograms

FlameExclamation mark

signalword

Danger

hcodes

Hazard Classifications

Flam. Liq. 2 - STOT SE 3

target_organs

Central nervous system

Storage Class

3 - Flammable liquids

wgk_germany

WGK 1

flash_point_f

71.6 °F - Pensky-Martens closed cup

flash_point_c

22 °C - Pensky-Martens closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter


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Determination of esters in dry and sweet white wines by headspace solid-phase microextraction and gas chromatography
Rodriguez-Bencomo J.J, et al.
Journal of Chromatography A, 963, 213-223 (2002)
A Comprehensive Guide to the Hazardous Properties of Chemical Substances, 49(3), 5929-5933 (2007)
A comparative study of sensor array and GC?MS: application to Madrid wines characterization
Santos.P.J, et al.
Sensors and Actuators B, Chemical, 102(2), 299-307 (2004)
Volatile components in aqueous essence and fresh fruit of Cucumis melo cv. Athena (muskmelon) by GC-MS and GC-O.
Jordan MJ, et al.
Journal of Agricultural and Food Chemistry, 49(12), 5929-5933 (2001)
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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