Table 5:
Purity of normal and deuterated isotopologues of additional odorants
| h-Acetophenone (Fluka analytical) | d3-Acetophenone | ||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Peak # |
Ret time (min) |
Type | Width (min) |
Area (pA*s) |
Height (pA) |
Area % |
Peak # |
Ret time (min) |
Type | Width (min) |
Area (pA*s) |
Height (pA) |
Area % |
| 1 | 8.634 | VV | 0.0532 | 1.75445 | 5.22483e-1 | 0.02044 | 1 | 9.212 | BB | 0.0459 | 6.59789e-1 | 2.27296e-1 | 0.00659 |
| 2 | 9.091 | VB | 0.0379 | 1.11003 | 4.33768e-1 | 0.01293 | 2 | 10.060 | BB | 0.0432 | 9.67617 | 3.62314 | 0.09659 |
| 3 | 9.499 | BB | 0.0409 | 1.46442 | 5.19445e-1 | 0.01706 | 3 | 10.384 | BB | 0.0443 | 9.54238 | 3.44315 | 0.09526 |
| 4 | 10.206 | VB | 0.0451 | 9.35422e-1 | 3.11201e-1 | 0.01090 | 4 | 10.844 | BV | 0.0763 | 9988.40723 | 1933.71594 | 99.71190 |
| 5 | 10.909 | VV | 0.0605 | 8552.97363 | 1899.87683 | 99.66466 | 5 | 11.217 | VB | 0.0400 | 7.89751e-1 | 3.28895e-1 | 0.00788 |
| 6 | 11.145 | VV | 0.0351 | 2.05978 | 8.85598e-1 | 0.02400 | 6 | 11.785 | BB | 0.0682 | 1.58633 | 5.11016e-1 | 0.01584 |
| 7 | 11.272 | VV | 0.0302 | 2.00964 | 1.05744 | 0.02342 | 7 | 12.807 | BB | 0.0334 | 5.71362 | 3.11383 | 0.05704 |
| 8 | 11.337 | VV | 0.0255 | 1.28859 | 7.71482e-1 | 0.01502 | 8 | 13.684 | BB | 0.0369 | 8.92039e-1 | 4.17685e-1 | 0.00891 |
| 9 | 11.391 | VB | 0.0300 | 1.06645 | 5.65312e-1 | 0.01243 | |||||||
| 10 | 11.826 | BB | 0.0296 | 7.87661 | 4.26206 | 0.09178 | |||||||
| 11 | 12.824 | BB | 0.0267 | 3.46171 | 1.94807 | 0.04034 | |||||||
| 12 | 12.967 | BV | 0.0318 | 7.98368e-1 | 3.91961e-1 | 0.00930 | |||||||
| 13 | 13.008 | VB | 0.0279 | 6.91700e-1 | 3.68989e-1 | 0.00806 | |||||||
| 14 | 14.378 | BB | 0.0265 | 4.26080 | 2.42068 | 0.04965 | |||||||
| d5-Acetophenone | d8-Acetophenone (lot G466P29) | ||||||||||||
| Peak # |
Ret time (min) |
Type | Width (min) |
Area (pA*s) |
Height (pA) |
Area % |
Peak # |
Ret time (min) |
Type | Width (min) |
Area (pA*s) |
Height (pA) |
Area % |
| 1 | 10.866 | BB | 0.0933 | 9092.35840 | 1730.31287 | 99.98919 | 1 | 8.259 | BB | 0.0367 | 1.77587 | 8.40201e-1 | 0.01898 |
| 2 | 11.796 | BB | 0.0357 | 9.82952e-1 | 4.83287e-1 | 0.01081 | 2 | 8.850 | BB | 0.0328 | 1.34282 | 6.81408e-1 | 0.01435 |
| 3 | 10.820 | BB | 0.0933 | 9347.32031 | 1778.28320 | 99.90145 | |||||||
| 4 | 11.766 | BB | 0.0379 | 1.43155 | 6.45780e-1 | 0.01530 | |||||||
| 5 | 12.484 | BB | 0.0379 | 2.74861 | 1.23874 | 0.02938 | |||||||
| 6 | 13.712 | BB | 0.0391 | 1.48917 | 6.42145e-1 | 0.01592 | |||||||
| 7 | 16.677 | BB | 0.0313 | 4.32479e-1 | 2.30103e-1 | 0.00462 | |||||||
| h-Ethanol | d6-Ethanol | ||||||||||||
| Peak # |
Ret time (min) |
Type | Width (min) |
Area (pA*s) |
Height (pA) |
Area % |
Peak # |
Ret time (min) |
Type | Width (min) |
Area (pA*s) |
Height (pA) |
Area % |
| 1 | 2.418 | BB S | 0.0205 | 4076.57593 | 3284.19873 | 1.000e2 | 1 | 2.387 | BB | 0.0360 | 4830.66064 | 2824.42505 | 1.000e2 |
| h-1-Pentanol | d11-1-Pentanol | ||||||||||||
| Peak # |
Ret time (min) |
Type | Width (min) |
Area (pA*s) |
Height (pA) |
Area % |
Peak # |
Ret time (min) |
Type | Width (min) |
Area (pA*s) |
Height (pA) |
Area % |
| 1 | 2.711 | BB | 0.0231 | 6.06239e-1 | 4.13028e-1 | 0.00853 | 1 | 3.443 | BB | 0.0421 | 11.47077 | 6.04865 | 0.15594 |
| 2 | 4.421 | BB | 0.0363 | 1.78695 | 7.93818e-1 | 0.02515 | 2 | 3.984 | BB | 0.0381 | 24.50063 | 12.94281 | 0.33307 |
| 3 | 5.023 | BB | 0.0618 | 7100.83350 | 1662.52856 | 99.94445 | 3 | 4.528 | BB | 0.0792 | 7319.98291 | 1443.77832 | 99.51099 |
| 4 | 5.750 | BB | 0.0231 | 1.55354 | 1.05958 | 0.02187 | |||||||
| h-1-Octanol | d17-1-octanol | ||||||||||||
| Peak # |
Ret time (min) |
Type | Width (min) |
Area (pA*s) |
Height (pA) |
Area % |
Peak # |
Ret time (min) |
Type | Width (min) |
Area (pA*s) |
Height (pA) |
Area % |
| 1 | 5.607 | BB | 0.0376 | 8.33811 | 4.49661 | 0.10979 | 1 | 5.692 | BB | 0.0379 | 23.70400 | 12.64659 | 0.25730 |
| 2 | 6.696 | BB | 0.0325 | 2.99909 | 1.70881 | 0.03949 | 2 | 7.063 | BB | 0.0385 | 11.61009 | 6.02909 | 0.12603 |
| 3 | 8.018 | BV | 0.0456 | 1.06406 | 4.85292e-1 | 0.01401 | 3 | 8.644 | BB | 0.1126 | 9162.00488 | 1206.64636 | 99.45199 |
| 4 | 8.165 | VB | 0.0400 | 2.65737 | 1.29295 | 0.03499 | 4 | 9.924 | BB | 0.0483 | 1.24629 | 5.13031e-1 | 0.01353 |
| 5 | 8.821 | BB | 0.0560 | 27.26840 | 7.94571 | 0.35904 | 5 | 10.233 | BB | 0.0438 | 4.07517 | 1.99705 | 0.04424 |
| 6 | 9.302 | BB | 0.1036 | 7552.50098 | 1054.55908 | 99.44269 | 6 | 11.328 | BB | 0.0524 | 4.05706 | 1.45943 | 0.04404 |
| 7 | 13.140 | BB | 0.0522 | 2.07261 | 7.51371e-1 | 0.02250 | |||||||
| 8 | 13.614 | BB | 0.0537 | 1.37058 | 4.24300e-2 | 0.01488 | |||||||
| 9 | 14.565 | BB | 0.0490 | 2.34988 | 9.43809e-1 | 0.02551 | |||||||
Results from gas chromatograms of normal, partially deuterated, and perdeuterated additional odorants used herein. The percentage (Area %) of the total that constitutes the main species within each preparation is shown in bold. For acetophenone isotopologues, the purity of all preparations was >99.7%. The contribution of all contaminants was negligible as it ranged below 0.1%. Both ethanol isotopologues are 100% pure. For pentanol, the normal odorant was nearly pure (99.9%), while the deuterated isotopologue was highly pure at 99.5%, with two main, albeit low-level, contaminants: peak 1 at 0.16% and peak 2 at 0.33%. For octanol, the normal isotopologue was highly pure (99.4%), while the deuterated isotopologue is equally pure (99.5%). Although greater in number, the contribution of contaminants in the deuterated isotopologue is minor, except for the peak at 5.692 contributing 0.26% to the total. This peak is shared with the normal isotopologue at 5.607 and contributes 11% of the total while the major contaminating peak at 8.821 contributes 0.36%.