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Ethyl hexanoate

analytical standard

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Synonym(s):
Caproic acid ethyl ester, Ethyl caproate
Linear Formula:
CH3(CH2)4COOC2H5
CAS Number:
123-66-0
Molecular Weight:
144.21
Beilstein:
1701293
EC Number:
204-640-3
MDL number:
MFCD00009511
PubChem Substance ID:
329748574
NACRES:
NA.24

grade

analytical standard

Quality Level

100

vapor density

5 (vs air)

Assay

≥99.0% (GC)

shelf life

limited shelf life, expiry date on the label

impurities

≤0.2% water

refractive index

n20/D 1.406-1.408
n20/D 1.407 (lit.)

bp

168 °C (lit.)

density

0.869 g/mL at 25 °C (lit.)

application(s)

cleaning products
cosmetics
flavors and fragrances
food and beverages
personal care

format

neat

SMILES string

CCCCCC(=O)OCC

InChI

1S/C8H16O2/c1-3-5-6-7-8(9)10-4-2/h3-7H2,1-2H3

InChI key

SHZIWNPUGXLXDT-UHFFFAOYSA-N

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General description

Ethyl hexanoate, an ester, is a volatile aroma and fragrance compound which impacts the quality and flavor of wine, beer and Japanese sake.

Application

Ethyl hexanoate may be used as an analytical reference standard for the determination of the analyte in wine and beer samples by chromatography based techniques.

Pictograms

Flame
GHS02

Signal Word

Warning

Hazard Statements

H226

Precautionary Statements

P210 - P370 + P378

Hazard Classifications

Flam. Liq. 3

Storage Class Code

3 - Flammable liquids

WGK

WGK 1

Flash Point(F)

127.4 °F - closed cup

Flash Point(C)

53 °C - closed cup

Regulatory Information

危险化学品

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Determination of volatile compounds in wine by automated solid-phase microextraction and gas chromatography
Cabredo-Pinillos S, et al.
Chromatographia, 59(11-12), 733-738 (2004)
J J Rodríguez-Bencomo et al.
Journal of chromatography. A, 963(1-2), 213-223 (2002-08-22)
Headspace solid-phase microextraction (HS-SPME) was studied for the high-resolution gas chromatographic (HRGC) analysis of esters in wines. Five different SPME fibers were tested and the influence of different factors such as temperature and time of desorption, extraction time, extraction technique
Microextraction of volatile compounds from wine samples and their determination by GC-FID. The effect of the salts and extraction solvents used
Saenz-Barrio, C and Cedron-Fernandez, T
Chromatographia, 51(3-4), 221-225 (2000)
Highly efficient synthesis of ethyl hexanoate catalyzed by CALB-displaying Saccharomyces cerevisiae whole-cells in non-aqueous phase
Han SY, et al.
Journal of Molecular Catalysis. B, Enzymatic, 59(1-3), 168-172 (2009)
Ján Hrivňák et al.
Talanta, 83(1), 294-296 (2010-11-03)
A rapid sampling technique for the analysis of beer aroma compounds is described. The headspace (10 ml) is passed through the microcolumn filled with 5mg of Tenax TA and thermally desorbed in a modified GC inlet (modification is described). Eight
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