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Merck

75563

Ethyl butyrate

analytical standard

Synonym(s):

Butyric acid ethyl ester

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About This Item

Linear Formula:
CH3CH2CH2C(O)OC2H5
CAS Number:
105-54-4
Molecular Weight:
116.16
UNSPSC Code:
85151701
NACRES:
NA.24
PubChem Substance ID:
329766522
EC Number:
203-306-4
Beilstein/REAXYS Number:
506331
MDL number:
MFCD00009394

Product Name

Ethyl butyrate, analytical standard

format

neat

Quality Level

200

InChI key

OBNCKNCVKJNDBV-UHFFFAOYSA-N

InChI

1S/C6H12O2/c1-3-5-6(7)8-4-2/h3-5H2,1-2H3

SMILES string

CCCC(=O)OCC

grade

analytical standard

vapor density

4 (vs air)

vapor pressure

15.5 mmHg ( 25 °C)

assay

≥99.5% (GC)

autoignition temp.

865 °F

shelf life

limited shelf life, expiry date on the label

technique(s)

HPLC: suitable
gas chromatography (GC): suitable

refractive index

n20/D 1.392 (lit.)
n20/D 1.393

bp

120 °C (lit.)

mp

−93 °C (lit.)

density

0.875 g/mL at 25 °C (lit.)

application(s)

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

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Application

Ethyl butyrate may be used as an analytical reference standard for the quantification of the analyte in orange essence oil samples and has been used as a reference standard for the determination of the analyte in dry and sweet white wines using different chromatography techniques.
Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.

General description

Ethyl butyrate belongs to the class of esters and is generally employed as a flavor enhancer in commercial food products.

Other Notes

Find a digital Reference Material for this product available on our online platform ChemisTwin® for NMR. You can use this digital equivalent on ChemisTwin® for your sample identity confirmation and compound quantification (with digital external standard). An NMR spectrum of this substance can be viewed and an online comparison against your sample can be performed with a few mouseclicks. Learn more here and start your free trial.

pictograms

Flame
GHS02

signalword

Warning

hcodes

H226

Hazard Classifications

Flam. Liq. 3

Storage Class

3 - Flammable liquids

wgk

WGK 1

flash_point_f

78.8 °F - closed cup

flash_point_c

26 °C - closed cup

ppe

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

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Certificates of Analysis (COA)

Lot/Batch Number
BCCM2447
BCCK1521
BCCG5170
BCCC8033
BCBX5239

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Identification of aroma active compounds in orange essence oil using gas chromatography?olfactometry and gas chromatography?mass spectrometry
Hognadottir A and Rouseff.LR
Journal of Chromatography A, 998(1-2), 201-211 (2003)
Determination of esters in dry and sweet white wines by headspace solid-phase microextraction and gas chromatography
Rodriguez-Bencomo JJ, et al.
Journal of Chromatography A, 963(1-2), 213-223 (2002)
Citrus Essential Oils: Flavor and Fragrance (2011)
Geraldine Savary et al.
Journal of agricultural and food chemistry, 54(3), 665-671 (2006-02-02)
Diffusion-ordered spectroscopy (DOSY)-pulsed field gradient (PGF) nuclear magnetic resonance (NMR) spectroscopy was used to measure self-diffusion coefficients of aroma molecules in model fruit preparations. The impact of the sucrose content on aroma diffusion was specifically investigated, and the relationship with
Montserrat Mestres et al.
Journal of agricultural and food chemistry, 54(5), 1814-1821 (2006-03-02)
The influence of gel texture on parameters such as positioning of food material in the oral cavity during mastication, and salivation, and their influence on aroma release in vivo was studied. Retronasal perception was followed by means of time-resolved sensory
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