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Merck
CN

94823

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

Key Documents

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Product Name

Isobutyl acetate, analytical standard

InChI key

GJRQTCIYDGXPES-UHFFFAOYSA-N

InChI

1S/C6H12O2/c1-5(2)4-8-6(3)7/h5H,4H2,1-3H3

SMILES string

CC(C)COC(C)=O

grade

analytical standard

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

Quality Level

100

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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.

General description

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

pictograms

FlameExclamation mark
GHS02,GHS07

signalword

Danger

hcodes

H225,H336

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

ppe

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

Regulatory Information

危险化学品
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Certificates of Analysis (COA)

Lot/Batch Number
BCCN8420
BCCM3306
BCCH5839
BCCH9195
BCCD0961

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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)
A Comprehensive Guide to the Hazardous Properties of Chemical Substances, 49(3), 5929-5933 (2007)
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)
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)
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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