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Isobutyl acetate

SIAL/94823 - analytical standard

Synonym: Acetic acid isobutyl ester

CAS Number: 110-19-0
Empirical Formula (Hill Notation): C6H12O2
Molecular Weight: 116.16
EC Number: 203-745-1
MDL Number: MFCD00008932
Linear Formula: CH3COOCH2CH(CH3)2
Product Type: Chemical

Catalog Number PKG Qty. Price Quantity
45-94823-1ML-F 1 mL
$52.00
1/EA
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45-94823-5ML-F 5 mL
$167.00
1/EA
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application(s) cleaning products
cosmetics
environmental
flavors and fragrances
food and beverages
personal care
assay >99.8% (GC)
autoignition temp. 793 °F
bp 115-117 °C (lit.)
density 0.867 g/mL at 25 °C (lit.)
expl. lim. 10.5 %
format neat
grade analytical standard
InChI 1S/C6H12O2/c1-5(2)4-8-6(3)7/h5H,4H2,1-3H3
InChI key GJRQTCIYDGXPES-UHFFFAOYSA-N
mp −99 °C (lit.)
Quality Level 100 
refractive index n20/D 1.39 (lit.)
  n20/D 1.390
shelf life limited shelf life, expiry date on the label
SMILES string CC(C)COC(C)=O
technique(s) gas chromatography (GC): suitable
  HPLC: suitable
vapor density >4 (vs air)
vapor pressure 15 mmHg ( 20 °C)
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.
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).
Application: 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.
Purity >99.8% (GC)
bp 115-117 °C (lit.)
mp −99 °C (lit.)
Density 0.867 g/mL at 25 °C (lit.)
Refractive Index n20/D 1.39 (lit.); n20/D 1.390
UNSPSC 85151701

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