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. 2022 Aug 23;27(17):5365. doi: 10.3390/molecules27175365

Table 1.

Chemical profile of the aerial parts of S. officinalis, S. virgata and S. sclarea essential oils (n = 3 ± SD).

No KI Compound Relative Abundance %
Cal. Rep. S. officinalis S. virgata S. sclarea
1 1067 1067 Camphene 1.9 2.6 -
2 1130 1133 β-Thujene 0.9 - -
3 1134 1137 β-Pinene 0.4 - -
4 1148 1149 δ-3-Carene - 0.6 -
5 1180 1184 β-Myrcene 0.9 1.2 0.8
6 1193 1195 α-Terpinene - 3.0 -
7 1201 1203 Limonene 0.5 6.2 0.4
8 1207 1208 1,8-Cineole 8.9 - 1.2
9 1215 1216 (E)-2-Hexenal 0.2 1.6 0.4
10 1230 1232 γ-Terpinene 0.6 5.2 0.3
11 1238 1240 β-trans-Ocimene - - 0.5
12 1267 1268 p-Cymene 0.5 4.5 0.2
13 1274 1276 α-Terpinolene 0.3 3.0 tr
14 1296 1298 1-Octen-3-one tr - -
15 1304 1305 2,4-Nonadienal - 3.3 -
16 1340 1342 6-Methyl-5-heptene-2-one - 0.2 -
17 1357 1359 1-Hexanol - 0.2 -
18 1370 1372 allo-Ocimene - - 0.2
19 1390 1390 Nonanal - - 0.2
20 1391 1391 (Z)-Hex-3-en-1-ol 0.4 - -
21 1394 1395 2,4-Hexadienal - 9.4 -
22 1413 1414 Butyl hexanoate - tr 0.7
23 1427 1427 trans-2-Octenal - tr -
24 1431 1435 cis-Thujone 18.6 0.9 0.7
25 1445 1445 cis-Linalool oxide - - 1.3
26 1447 1448 trans-Thujone 3.3 0.2 tr
27 1452 1453 1-Octen-3-ol 0.0 - -
28 1455 1456 1-Heptanol 0.2 - 0.3
29 1464 1466 trans-Linalool oxide 0.4 0.2 1.1
30 1470 1470 Fenchyl acetate - tr -
31 1484 1485 α-Campholenal - 1.1 1.0
32 1493 1493 α-Copaene - 0.8 1.3
33 1498 1498 n-Decanal tr 0.3 0.2
34 1506 1505 Camphor 12.2 - 0.4
35 1521 1520 Benzaldehyde - 0.4 0.7
36 1532 1532 (Z)-2-Nonenal - 0.2 -
37 1553 1554 Linalool 0.4 0.2 -
38 1562 1564 Linalyl acetate 0.0 0.2 4.7
39 1565 1566 trans-Pinocamphone tr tr 0.3
40 1568 1569 (E,E)-3,5-Octadien-2-one - 0.2 -
41 1573 1574 Iso pulegone 0.9 tr 0.2
42 1574 1574 Pinocarvone 0.2 0.2 -
43 1579 1579 Bornyl acetate 0.0 0.2 0.2
44 1581 1582 6-Methyl-3,5-heptadien-2-one - tr 0.3
45 1588 1589 trans-β-Caryophyllene 3.2 - 0.9
46 1599 1598 Terpinen-4-ol 0.9 1.3 tr
47 1608 1608 Aromadendrene - 0.3 tr
48 1617 1619 Butyl octanoate tr - 0.9
49 1623 1624 β-Cyclocitral tr - tr
50 1629 1628 1-Terpineol tr tr 0.2
51 1643 1644 Pulegone - 0.5 0.2
52 1649 1650 Alloaromadendrene 1.0 0.2 0.3
53 1655 1658 Sabinyl acetate 0.3 - tr
54 1672 1670 4-Vinylanisole - 0.2 0.2
55 1677 1679 β-Citral 0.2 0.5 tr
56 1680 1681 α-Humulene 6.1 1.2 0.3
57 1684 1684 δ-Terpineol 0.2 - 0.5
58 1702 1703 γ-Muurolene 0.6 1.7 -
59 1711 1712 α-Terpineol 1.6 1.0 2.5
60 1714 1715 Borneol 4.0 0.3 0.2
61 1720 1722 Dodecanal - tr 0.2
62 1723 1725 Butyl nonanoate - 1.0 0.3
63 1728 1729 Piperitone 0.5 1.7 0.2
64 1733 1733 Neryl acetate tr - 0.7
65 1742 1746 Carvyl acetate tr 0.3 tr
66 1750 1750 Epoxylinalool tr - 0.2
67 1752 1752 δ-Cadinene tr - 1.4
68 1761 1763 1-Decanol - 3.2 -
69 1782 1783 Cubenene 0.7 0.3 0.3
70 1784 1785 α-Cadinene - 0.9 tr
71 1792 1793 Myrtenol 0.6 - tr
72 1796 1797 2,4-Decadienal - tr -
73 1803 1805 2-Tridecanone - tr 0.8
74 1814 1815 β-Damascenone 0.4 - -
75 1822 1824 β-Damascone - 2.2 0.3
76 1844 1845 trans-Calamenene - 0.9 0.3
77 1855 1856 cis-Carveol 0.6 tr -
78 1857 1857 trans-Carveol tr 0.4 0.3
79 1867 1868 (Z)-Geranyl acetone - 0.2 2.0
80 1869 1870 exo-2-Hydroxycineole tr tr 0.2
81 1884 1885 Benzyl alcohol tr 0.2 0.4
82 1887 1887 (E)-2-Dodecenal - 0.5 -
83 1915 1916 α-Calacorene - 0.8 -
84 1917 1918 Piperitenone tr 0.8 1.5
85 1920 1921 Tetradecanal 0.2 - -
86 1926 1927 Phenylethyl alcohol 0.1 0.7 0.6
87 1930 1931 trans-β-Ionone tr 0.3 0.3
88 1937 1938 cis-Jasmone tr 0.2 -
89 1945 1945 2,6-Dimethyl-3,7-octadiene-2,6-diol tr 0.2 0.3
90 1949 1951 (2E)-Hexenoic acid 0.4 0.2 0.6
91 1953 1955 cis-Caryophyllene oxide 0.2 tr 2.3
92 1954 1954 2-Ethyl-hexanoic acid - tr 0.4
93 1966 1967 β-Ionone epoxide tr 0.5 0.3
94 1992 1993 trans-β-Ionone-5,6-epoxide 0.6 0.2 2.1
95 2000 2000 Eicosane - 0.6 0.8
96 2000 2203 2-Methoxy-4-vinylphenol tr 0.5 0.7
97 2001 2003 Methyl eugenol 0.5 - 0.3
98 2012 2014 Methyl tetradecanoate 0.2 tr -
99 2022 2024 Glubulol tr 0.4 tr
100 2030 2032 Cinnamaldehyde 1.2 tr 0.7
101 2034 2035 Nerolidol tr 0.4 0.2
102 2041 2042 Pentadecanal 0.3 0.3 0.4
103 2051 2052 Octanoic acid 0.7 0.2 0.4
104 2080 2081 Viridiflorol 4.3 0.5 0.4
105 2095 2099 β-Elemenone tr 0.9 tr
106 2121 2121 Spatulenol tr 1.0 2.5
107 2130 2131 Hexahydrofarnesyl acetone tr 0.5 0.4
108 2133 2135 2-Hydroxy-4-methoxy-benzaldehyde - 0.4 0.2
109 2178 2179 γ-Eudesmol - 0.5 0.2
110 2185 2186 Eugenol tr - 1.1
111 2192 2192 Nonanoic acid 0.3 0.7 0.6
112 2197 2198 Thymol 0.6 0.3 0.4
113 2205 2206 Carvacrol 0.7 0.5 0.2
114 2210 2210 Methyl hexadecanoate - 0.3 0.5
115 2213 2215 β-Eudesmol - 1.2 1.3
116 2217 2219 Ledene oxide-(I) - tr 0.7
117 2220 2223 Sclareoloxide 1.3 - 1.5
118 2240 2241 Ethyl hexadecanoate 0.4 0.5 2.4
119 2262 2264 n-Decanoic acid tr 0.3 0.7
120 2300 2300 n-Tricosane 0.5 0.6 0.4
121 2321 2324 Dihydroactinolide - 0.6 0.4
122 2330 2331 (6R)-(β)-Caryophyllene oxide - 0.4 0.6
123 2340 2343 Octadecanal 0.5 - 3.4
124 2378 2379 4-Vinylphenol tr 0.4 1.5
125 2389 2390 Isoelemicin 0.5 - 0.7
126 2394 2396 Tetracosane tr - 0.2
127 2416 2419 Butyl hexadecanoate - - 0.2
128 2450 2451 Dodecanoic acid - 0.3 0.2
129 2465 2469 Penatcosane tr tr 0.3
130 2541 2545 Vanillin - 0.9 0.3
131 2547 2550 9,12,15-Octadecatrienoic acid, methyl ester - tr tr
132 2595 2597 n-Hexacosane - - 0.3
133 2650 2650 Benzyl benzoate tr - tr
134 2654 2655 n-Butyl octadecanoate 5.6 0.2 5.7
135 2700 2712 n-Heptacosane tr 0.5 0.4
136 2819 2819 Pentadecanoic acid - - -
137 2826 2828 n-Octacosane - tr -
138 2896 2899 n-Hexadecanoic acid - 1.7 0.4
139 3000 3000 n-Triacontane - tr 0.4
140 3102 3100 n-Hentriacontane - tr tr
141 3103 3104 Octadecanoic acid - tr -
142 3153 3157 9-Octadecenoic acid - 0.2 6.9
143 3165 3168 9,12-Octadecadienoic acid - 0.2 tr
144 3192 3193 9,12,15-Octadecatrienoic acid - 0.4 tr
Total % of identified compounds 91.1 84.7 78.1

Compounds were identified based on the compounds’ mass spectral data and retention indices compared with those of the NIST Mass Spectral Library (December 2011), the Wiley Registry of Mass Spectral Data, 8th edition, and many authentic standards. The content (%) was calculated in triplicate using the normalization method based on the GC-MS data. The presented data are the average of three replicas, tr—trace concentration less than 0.1%. Standard deviation did not exceed 3% for all values. KI: Kovats index calculated on VF-Wax CP 9205column.