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Sigma-Aldrich

Ethyl hexanoate

SAJ special grade, ≥99.0%

Synonym(s):

Caproic acid ethyl ester, Ethyl caproate

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About This Item

Linear Formula:
CH3(CH2)4COOC2H5
CAS Number:
123-66-0
Molecular Weight:
144.21
Beilstein/REAXYS Number:
1701293
EC Number:
204-640-3
MDL number:
MFCD00009511
UNSPSC Code:
12352100
PubChem Substance ID:
329748690

grade

SAJ special grade

vapor density

5 (vs air)

assay

≥99.0%

availability

available only in Japan

refractive index

n20/D 1.407 (lit.)

bp

168 °C (lit.)

density

0.869 g/mL at 25 °C (lit.)

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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pictograms

Flame
GHS02

signalword

Warning

hcodes

H226

Hazard Classifications

Flam. Liq. 3

Storage Class

3 - Flammable liquids

wgk_germany

WGK 1

flash_point_f

127.4 °F - closed cup

flash_point_c

53 °C - closed cup

ppe

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

Certificates of Analysis (COA)

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Clémentine Lauverjat et al.
Journal of agricultural and food chemistry, 57(21), 9878-9887 (2009-10-13)
Physicochemical properties (partition and diffusion coefficients) involved in the mobility and release of salt and aroma compounds in model cheeses were determined in this study. The values of NaCl water/product partition coefficients highlighted interactions between proteins and NaCl. However, these
Jia Xie et al.
Molecules (Basel, Switzerland), 23(6) (2018-05-24)
To investigate the effects of fusel alcohols on the intoxicating degree of liquor products, formulated liquors (FLs) were prepared by blending 1-propanol, isobutanol, and isoamyl alcohol with ethanol, organic acids, and corresponding ethyl esters to simulate the formula of traditional
Da-Mi Jung et al.
Journal of agricultural and food chemistry, 51(1), 200-205 (2002-12-28)
Changes in the volatility of selected flavor compounds in the presence of nonvolatile food matrix components were studied using headspace solid-phase microextraction (HS-SPME) combined with GC-MS quantification. Time-dependent adsorption profiles to the SPME fiber and the partition coefficients between different
Géraldine Savary et al.
Journal of agricultural and food chemistry, 55(17), 7099-7106 (2007-07-31)
The release of a strawberry aroma from different composite gels taken as models of fruit preparations and from a sucrose solution was investigated. The composition of the model systems differed with regard to the gelling agent, either pectin or carrageenan
Alexandre Juteau-Vigier et al.
Journal of agricultural and food chemistry, 55(9), 3577-3584 (2007-04-11)
Aroma compound properties in food matrices, such as volatility and diffusivity, have to be determined to understand the effect of composition and structure on aroma release and perception. This work illustrates the use of mass transfer modeling to identify diffusion
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