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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:
110-19-0
Molecular Weight:
116.16
Beilstein/REAXYS Number:
1741909
EC Number:
203-745-1
MDL number:
MFCD00008932
UNSPSC Code:
85151701
PubChem Substance ID:
329770391
NACRES:
NA.24

grade

analytical standard

Quality Level

100

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
GHS02,GHS07

signalword

Danger

hcodes

H225,H336

Hazard Classifications

Flam. Liq. 2 - STOT SE 3

target_organs

Central nervous system

wgk_germany

WGK 1

flash_point_f

Pensky-Martens closed cup

flash_point_c

Pensky-Martens closed cup

ppe

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

Choose from one of the most recent versions:

Certificates of Analysis (COA)

Lot/Batch Number
BCCD0961
BCCC8666
BCBV8569
BCBP5020V
BCBQ0941V

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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)
H Hellquist et al.
Acta oto-laryngologica, 96(5-6), 495-500 (1983-11-01)
Industrial workers more and more frequently seek medical advice for nasal and sinus symptoms that they attribute to occupational exposure. The present study comprised 10 paint-sprayers exposed to solvents (primarily toluene and isobutylacetate) and dust. The working environment was checked
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