Table 3:

Purity of independent lots and sources of normal and deuterated isotopologues

h-1-Hexanol (Lluch Essence)d13-1-Hexanol (X421P8)
Peak
#
Ret time
(min)
TypeWidth
(min)
Area
(pA*s)
Height
(pA)
Area
%
Peak
#
Ret time
(min)
TypeWidth
(min)
Area
(pA*s)
Height
(pA)
Area
%
12.196BB0.03695.726202.588050.1083213.327BB0.03459.752166.150560.15369
22.569BV0.02145.224874.068810.0988424.297BB0.043315.990598.014340.25201
32.726VV0.03314.292272.372410.0812035.572BB0.09646313.493651076.5661699.49862
42.856VV0.03082.586791.323120.0489346.808BB0.05443.504481.189210.05523
53.148VV0.04753.808921.125800.07205512.926BB0.07642.567065.30815e-10.04046
63.408VB0.03503.198021.622080.06050
74.004BB0.08182.047213.23609e-10.03873
85.228BB0.04353.191141.180530.06037
95.738BB0.08155256.201661146.0157599.43107
h-Benzaldehyde (Fluka Analytical)d6-Benzaldehyde (X261P20)
Peak
#
Ret time
(min)
TypeWidth
(min)
Area
(pA*s)
Height
(pA)
Area
%
Peak
#
Ret time
(min)
TypeWidth
(min)
Area
(pA*s)
Height
(pA)
Area
%
12.375BB0.02246.39770e-14.53907e-10.0068012.377BB0.02675.28992e-13.69073e-10.00567
28.249BB0.05068977.630862349.5429795.4421628.105BV0.05441.226373.22554e-10.01314
38.921BB0.04269.602503.238230.1020938.307VB0.07318838.805662099.4960994.72651
410.373BB0.04198.93681e-13.07697e-10.0095048.937BB0.034214.522377.009190.15564
512.829BB0.03406.93815e-13.11654e-10.00738510.126BB0.05121.079013.21227e-10.01156
619.153BB0.0427416.89743139.982674.43208611.935BB0.03761.199855.46938e-10.01286
712.754BB0.05812.192886.07426e-10.02350
814.382BB0.03501.632167.62619e-10.01749
919.128BB0.0530469.68039133.570435.03362
h-Acetophenone (Puriss grade, Fluka Analytical)d8-Acetophenone (G466P32)
Peak
#
Ret time
(min)
TypeWidth
(min)
Area
(pA*s)
Height
(pA)
Area
%
Peak
#
Ret time
(min)
TypeWidth
(min)
Area
(pA*s)
Height
(pA)
Area
%
19.530BB0.04521.148083.80043e-10.0139717.637BB0.03811.464716.08103e-10.01922
29.819BB0.08021.136682.06503e-10.0138328.188BB0.03651.160854.74491e-10.01523
310.160BB0.05458210.816411976.7236399.89956310.084BB0.06057616.923831759.7398799.93954
411.114BV0.03297.13131e-13.34774e-10.00868411.941BB0.08931.982533.24316e-10.02601
511.176VB0.08333.749786.13817e-10.04562
613.617BB0.05121.507474.48821e-10.01834
  • Results from gas chromatograms of normal and perdeuterated odorants from distinct lots and sources, as indicated from those on Table 2 and Figure 1. The percentage (Area %) of the total that constitutes the main species within each preparation is shown in bold. The batch numbers of isotopologues distinct from those on Table 1 are indicated. Distinct trace impurities were present in the 1-hexanol preparation from Lluch Essence compared to that from Fluka Analytical (Table 2). The deuterated 1-hexanol contained fewer contaminants, which, however, constituted a slightly larger fraction of the sample, since pure d13-1-HEL exhibited 99.5% purity in this sample compared to 99.7% in the one in Table 2. Similarly, h-BNZ contained fewer contaminants than that in Table 2, but it constituted a lower percentage of the sample (94.4% vs 98.7% in Table 2), because a larger proportion was benzoic acid (Ret time, 19.153). d6-BNZ also contained additional contaminants from that in Table 2 (Ret times, 8.105, 8.937) and contained a larger percentage (5.03%) of deuterated benzoic acid than the batch in Table 2. Nevertheless, the EAG responses of the two sets of batches were similar. In contrast, the normal ACP sample was purer than the original one (Table 4), and the same was true for the d8-ACP sample. Based on retention times, there are no common contaminants in the two isotopologue preparations.