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Merck
CN

19536

Ethyl isobutyrate

analytical standard

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About This Item

Linear Formula:
(CH3)2CHCOOC2H5
CAS Number:
97-62-1
Molecular Weight:
116.16
UNSPSC Code:
85151701
NACRES:
NA.24
PubChem Substance ID:
329751913
EC Number:
202-595-4
Beilstein/REAXYS Number:
773846
MDL number:
MFCD00009165

Key Documents

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Product Name

Ethyl isobutyrate, analytical standard

SMILES string

CCOC(=O)C(C)C

InChI key

WDAXFOBOLVPGLV-UHFFFAOYSA-N

InChI

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

grade

analytical standard

vapor density

4.01 (vs air)

vapor pressure

40 mmHg ( 33.8 °C)

assay

≥99.0% (GC)

shelf life

limited shelf life, expiry date on the label

technique(s)

HPLC: suitable
gas chromatography (GC): suitable

impurities

≤0.5% water

refractive index

n20/D 1.387 (lit.)
n20/D 1.387-1.389

bp

112-113 °C (lit.)

density

0.865 g/mL at 25 °C (lit.)

application(s)

cleaning products
cosmetics
flavors and fragrances
food and beverages
personal care

format

neat

Quality Level

100

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Application

Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.

pictograms

Flame
GHS02

signalword

Danger

hcodes

H225

Hazard Classifications

Flam. Liq. 2

Storage Class

3 - Flammable liquids

wgk

WGK 2

flash_point_f

68.0 °F - closed cup

flash_point_c

20 °C - closed cup

Regulatory Information

危险化学品
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Certificates of Analysis (COA)

Lot/Batch Number
BCCJ9158
BCCF1938
BCBX6069
BCBQ9876V

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Stéphanie Rollero et al.
Applied microbiology and biotechnology, 99(5), 2291-2304 (2014-11-22)
Volatile compounds produced by yeast during fermentation greatly influence the organoleptic qualities of wine. We developed a model to predict the combined effects of initial nitrogen and phytosterol content and fermentation temperature on the production of volatile compounds. We used

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