AlcoDrinks is online calculator on correct determination of volatile compounds in alcohol products

Using this calculator, you can perform a quantitative determination of the content of volatile compounds, using ethanol as internal standard.

You should only specify the value of the area under the peaks of the analyzed compound and ethanol. As a result, you will immediately receive the concentration of analyzed compound in mg per liter of absolute alcohol (AA). Given values RRF ​​are approximate. For more accurate results, you should enter the improved values ​​for the calculation of RRF, corresponding to your gas chromatography.

1STANDARD SOLUTION:"C" (according EC 2870/2000)Ethanol ISTraditional ISANALYZED SAMPLE:Whiskey sample #4
2CompoundConcentration, mg/kgConcentration, mg/L AAResponseRFRFRRF exp.RRF exp.RRF tab.RFRRF exp.Response (pure sample)Response (sample + IS)Concentration, mg/L AAConcentration, mg/L AAConcentration, mg/L AAConcentration, mg/kgConcentration, mg/L AA
3
41acetaldehyde140.898345.8701241.6000.2690.2791.9211.9931.2900.1133.645121.688112.80617.66726.30927.25411.30126.786
52isobutyraldehyde0001.41000
63ethyl formate0001.03000
74aceton0001.30000
85diethylformal0001.16600
96methyl acetate207.021512.3302603.5370.1880.1971.3431.4071.4100.0802.581170.247154.77027.01725.73310.88310.97926.023
107ethyl acetate 200.334429.6003424.1610.1390.1250.9930.8931.0300.0591.903102.24192.94611.85211.4268.6194.86111.522
1182-butanone0000.90000
129methanol226.220244.8103078.6960.1740.0801.2430.5711.2800.0732.355350.080336.43650.43348.97525.41321.77751.614
13102-propanol220.823497.3204741.1210.1100.1050.7860.7500.8100.0471.516443.135402.85040.39839.20130.22316.78639.785
1411ethanol (advanced IS)7893005637986.6880.1400.1401.0001.0001.0007013036.8007014568789300789300789300
1512diacetyl0002.01900
16132-butanol0000.85300
17141-propanol229.855522.1805780.9530.0940.0900.6710.6430.6900.0401.2903549.6053226.914275.655268.064257.677114.413271.177
1815isobutyl alc.229.973592.2406983.5570.0780.0850.5570.6070.5700.0331.06518013.56216421.4201155.6081129.2521228.593480.6841139.293
1916isoamyl acetate0000.70700
20171-butanol223.727520.4106211.5600.0850.0840.6070.6000.6200.0361.161113.754106.1407.9387.7717.6563.3878.028
2118isoamyl alc. 228.957563.9306901.0880.0790.0820.5640.5860.5700.0331.06559923.27354475.7033844.2033803.7383938.6231594.6003779.440
2219ethylcaproate0000.89000
2320hexanol0000.60000
2421ethyllactate0001.90800
2522ethylcaprylate0000.70000
26232-phenylethanol0000.85000
2724ethyl hexanoate0000.67900
2825ethyl octanoate0000.62700
2926ethyl decanoate0000.61800
3027benzyl alcohol0000.71500
3128phenylethanol0000.55900
3229Internal Standard (IS)26.8600853.6150.0750.5360.0311.0001852.000
33 M (sample), g8.755
34 M (IS), g0.896
35 IS conc., mg/kg497.380
36 Density, mg/L948060
37 ABV, (%)40

Determination of coefficients RRF

Values of coefficients RRF are calculated on experimental data of standard solutions with known values of concentration of volatile compounds by formula (4).

Table 1. Results of determination of coefficients RRF on experimental data presented in Figure 1

Determination of concentrations of volatile compounds in the sample

Determination of concentrations of volatile compounds in test sample is performed in accordance with equation (3).

Table 2. Experimental data and data from certificate CRM LGC5100 Whisky - Congeners

Peak area of analyzing volatile compounds are recorded in Table 2 in arbitrary units, for example, in "mV * min" or in "pA * s".

The bias between the values of the concentrations from the certificate and the experimentally measured are not more than 12.0% relative.

Fig. 1. An example of chromatograms of standard working solution of volatile compounds in ethanol.

Figure 1. An example of chromatograms of standard working solution of volatile compounds in ethanol.

Fig. 2. Chromatogram of the certified reference sample CRM LGC5100 Whisky - Congeners in logarithmic scale.

Figure 2. Chromatogram of the certified reference sample CRM LGC5100 Whisky - Congeners in a logarithmic scale.

Fig. 3. Chromatogram of the certified reference sample CRM LGC5100 Whisky - Congeners in linear scale.

Figure 3. Chromatogram of the certified reference sample CRM LGC5100 Whisky - Congeners in linear scale.

Fig. 4. Chromatogram of the second measurement of the sample CRM LGC5100 Whisky - Congeners.

Figure 4. Chromatogram of the second measurement of the sample CRM LGC5100 Whisky - Congeners.

References

  1. International Organization of Vine and Wine (OIV). Compendium of international methods of wine and must analysis, 2009; Vols. 1 and 2.
  2. Commission Regulation (EC) No 2870/2000 of 19 December 2000 laying down Community reference methods for the analysis of spirits drinks, 2000.
  3. AOAC (Association of Official Analytical Chemists) Official Methods 972.10. Alcohol (higher) and ethyl acetate in distilled liquors. Alternative gas chromatographic method, 1975.
  4. AOAC Official Methods 972.11. Methanol in distilled liquors. Gas chromatographic method, 1973.
  5. Charapitsa S.V. et al. Direct Determination of Volatile Compounds in Spirit Drinks by Gas Chromatography. J. Agricultural and Food Chemistry, 2013, 61 (12), 2950–2956 DOI:10.1021/jf3044956.

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