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. 2021 Nov 24;26(23):7113. doi: 10.3390/molecules26237113

Table 1.

Properties of volatile compounds.

Compound CAS Formula MW RI Rt [s] Dt [a.u.] Chamomile ‘Xiaokuixiang’ ‘Huangju’ ‘Hangju’
(E)-2-Hexenal dimer C6728263 C6H10O 98.1 845 341.96 1.52 119.15 ± 13.38 75.51 ± 3.9 2584.61 ± 200.04 164.85 ± 17.54
(E)-2-Hexenal monomer C6728263 C6H10O 98.1 845.9 343.05 1.19 266.3 ± 4.4 118.7 ± 13.32 1466.64 ± 58.49 460.29 ± 37.3
1,8-Cineole dimer C470826 C10H18O 154.3 1039.4 668.17 1.73 2288.27 ± 95.94 1703.92 ± 33.27 10,356.01 ± 304.58 269.45 ± 17.21
1,8-Cineole monomer C470826 C10H18O 154.3 1039.9 669.06 1.30 4666.11 ± 33.93 2808.24 ± 98.28 4684.26 ± 217.57 1709.26 ± 147.07
1-Menthol dimer C2216515 C10H20O 156.3 1164.6 899.45 1.89 76.31 ± 8.05 104.58 ± 9.7 611.43 ± 44.5 95 ± 8.35
1-Menthol monomer C2216515 C10H20O 156.3 1167.1 904.07 1.22 1523.09 ± 132.67 1832.42 ± 212.92 13,371.96 ± 646.6 3336.42 ± 842.92
1-Octen-3-one C4312996 C8H14O 126.2 980.7 559.80 1.27 147.74 ± 10.47 457.74 ± 30.52 185.63 ± 11.63 132.28 ± 8.71
1-Propanol C71238 C3H8O 60.1 567.8 133.48 1.11 277.14 ± 37.46 510.58 ± 137.29 285.27 ± 70.16 120.95 ± 13.73
2-Butanone dimer C78933 C4H8O 72.1 598.6 148.07 1.25 66.32 ± 8.38 206.39 ± 16.58 91.84 ± 11.82 56.38 ± 2.7
2-Butanone monomer C78933 C4H8O 72.1 600.2 148.81 1.06 225.59 ± 5.57 304.15 ± 9.95 256.77 ± 17.37 224.55 ± 3.13
2-Methyl butanol dimer C137326 C5H12O 88.1 730.6 226.07 1.47 74.41 ± 43.88 377.13 ± 39.66 61.58 ± 6.67 24.73 ± 1.82
2-Methyl butanol monomer C137326 C5H12O 88.1 732.1 227.38 1.22 233.41 ± 45.94 738.55 ± 36.4 173.98 ± 10.38 90.78 ± 9.45
2-Methylbutanal dimer C96173 C5H10O 86.1 661.8 177.99 1.40 1432.09 ± 65.61 909.09 ± 49.14 674.59 ± 72.26 495.8 ± 36.75
2-Methylbutanal monomer C96173 C5H10O 86.1 659.7 177.00 1.16 401.75 ± 14.95 301.28 ± 4.45 443.43 ± 6.92 492.91 ± 20.22
2-Pentenal (E) dimer C1576870 C5H8O 84.1 745.3 238.45 1.37 54.63 ± 6.98 120.37 ± 5.89 243.18 ± 31.99 33.63 ± 2.47
2-Pentenal (E) monomer C1576870 C5H8O 84.1 745.6 238.71 1.11 165.33 ± 11.36 200.09 ± 3.45 426.63 ± 36.76 152.51 ± 7.41
2-Pentylfuran C3777693 C9H14O 138.2 1001.9 598.78 1.24 212.31 ± 21.79 1327.04 ± 82.25 263.66 ± 30.66 172.3 ± 2.81
3-Methylbutanal dimer C590863 C5H10O 86.1 652.4 173.54 1.41 979.83 ± 46.43 458.85 ± 29.25 219.49 ± 28.19 218.41 ± 19.24
3-Methylbutanal monomer C590863 C5H10O 86.1 649.7 172.30 1.17 310.93 ± 22.26 252.22 ± 6.09 251.21 ± 4.01 312.4 ± 14.22
3-Octanol dimer C589980 C8H18O 130.2 983.5 565.02 1.77 27.63 ± 0.35 109.59 ± 5.66 32.29 ± 3.77 31.99 ± 6.66
3-Octanol monomer C589980 C8H18O 130.2 984.2 566.23 1.39 218.74 ± 9.55 437.37 ± 27.6 232.78 ± 8.53 154.96 ± 5.27
5-Methyl-2-furanmethanol dimer C3857258 C6H8O2 112.1 954.5 511.57 1.57 197.92 ± 22.36 59.33 ± 1.58 149.97 ± 7.99 102.93 ± 8.99
5-Methyl-2-furanmethanol monomer C3857258 C6H8O2 112.1 955.8 513.98 1.26 511.85 ± 51.91 411.24 ± 14.62 664.63 ± 13.69 355.18 ± 8.68
6-Methyl-5-hepten-2-one C110930 C8H14O 126.2 994.7 585.52 1.18 2100.88 ± 193.06 4922.49 ± 108.53 8939.93 ± 89.23 6135.18 ± 243.3
Acetone C67641 C3H6O 58.1 541.7 121.11 1.12 307.59 ± 31.17 3941.64 ± 1000.18 279.57 ± 72.23 93.38 ± 8.36
benzaldehyde C100527 C7H6O 106.1 955 512.56 1.15 422.9 ± 56.36 129.43 ± 5.64 251.34 ± 11.67 228.79 ± 1.29
Butyl acetate C123864 C6H12O2 116.2 804.6 294.95 1.24 21.92 ± 1.42 97.13 ± 4.61 38.21 ± 6.31 21.04 ± 2.4
Ethyl 2-methylbutanoate C7452791 C7H14O2 130.2 841.7 338.13 1.66 4068.59 ± 54.94 6201.27 ± 149.74 105.39 ± 2.41 45.64 ± 2.85
Ethyl 2-methylpropanoate C97621 C6H12O2 116.2 749.8 242.27 1.57 45.89 ± 10.29 544.37 ± 4.24 23.53 ± 1.3 23.09 ± 3.23
Ethyl butyrate C105544 C6H12O2 116.2 800.4 290.03 1.21 13.06 ± 0.52 79.82 ± 7.13 12.84 ± 1.66 12.24 ± 1.95
Heptanal dimer C111717 C7H14O 114.2 899.4 410.27 1.70 684.87 ± 46.75 285.09 ± 14.02 780.97 ± 35.21 395.66 ± 12.06
Heptanal monomer C111717 C7H14O 114.2 899.3 409.93 1.33 281 ± 21.65 212.67 ± 8.64 296.56 ± 11.67 71.12 ± 2.49
Heptanoic acid dimer C111148 C7H14O2 130.2 1053 693.30 1.76 91.78 ± 6.98 1362.95 ± 189.03 190.7 ± 22.46 81.34 ± 6.96
Heptanoic acid monomer C111148 C7H14O2 130.2 1051.6 690.58 1.36 217.9 ± 9.68 457.72 ± 51.97 86.71 ± 5.29 60.26 ± 1.53
Hexanal dimer C66251 C6H12O 100.2 791.1 279.29 1.57 1899.55 ± 72.68 2897.65 ± 52.78 2694.57 ± 86.19 1494.49 ± 19.81
Hexanal monomer C66251 C6H12O 100.2 791.1 279.29 1.26 1088.22 ± 49.57 1063.24 ± 43.75 1230.44 ± 37.1 1166.24 ± 21.4
Isoamyl acetate dimer C123922 C7H14O2 130.2 876 378.14 1.75 26.48 ± 6.98 144.48 ± 13.61 20.43 ± 1.35 20.8 ± 2.31
Isoamyl acetate monomer C123922 C7H14O2 130.2 876.6 378.85 1.30 66.4 ± 4.29 395.1 ± 12.85 102.52 ± 8.51 54.28 ± 6.8
Linalool oxide dimer C60047178 C10H18O2 170.3 1076.6 736.77 1.82 89.87 ± 6.51 450.59 ± 73.39 63.83 ± 5.24 49.68 ± 5.15
Linalool oxide monomer C60047178 C10H18O2 170.3 1077 737.67 1.26 326.91 ± 24.45 804.93 ± 72.82 74.35 ± 25.8 34.87 ± 2.02
Methyl 2-methylbutanoate dimer C868575 C6H12O2 116.2 768.8 258.26 1.54 217.3 ± 9.99 252.67 ± 7.51 24.62 ± 2.9 15.52 ± 1.03
Methyl 2-methylbutanoate monomer C868575 C6H12O2 116.2 770 259.28 1.18 404.26 ± 20.26 352.79 ± 23.05 211.43 ± 8.69 146.93 ± 5.49
Pentanal dimer C110623 C5H10O 86.1 694.6 195.77 1.43 1044.79 ± 43.21 923.43 ± 31.09 1084.99 ± 23.53 1093.19 ± 19.8
Pentanal monomer C110623 C5H10O 86.1 694.9 196.05 1.18 964.72 ± 56.23 1044.44 ± 46.97 749.54 ± 55.68 321.03 ± 3.04
Propylacetate dimer C109604 C5H10O2 102.1 707.7 206.83 1.48 39.05 ± 17.76 420.42 ± 8.88 27.48 ± 7.19 20.46 ± 0.21
Propylacetate monomer C109604 C5H10O2 102.1 708.4 207.36 1.17 64.59 ± 6.93 292.21 ± 5.69 71.38 ± 3.49 83.29 ± 4.01
Propylsulfide C111477 C6H14S 118.2 884.7 388.21 1.16 42.7 ± 2.2 39.03 ± 1.77 226.35 ± 16.02 80.77 ± 4.8