Skip to main content
. 2021 Mar 25;11(20):12074–12085. doi: 10.1039/d0ra09703a

Volatile compounds with variable importance in the projection (VIP) value more than 1.00a.

Number Compounds VIP Correlation
1 Naphthalene, 1,2,3,4-tetrahydro-1,6,8-trimethyl- 3.28 P
2 1,1,5-Trimethyl-1,2-dihydronaphthalene 2.96 P
3 Pentadecane 2.56 N
4 p-Xylene 2.52 P
5 Alpha.-methyl-.alpha.-[4-methyl-3-pentenyl]oxiranemethanol 2.49 P
6 Benzaldehyde, 3-benzyloxy-2-fluoro-4-methoxy- 2.49 N
7 Hydrazinecarboxylic acid, phenylmethyl ester 2.32 P
8 Ethinamate 2.29 N
9 Alpha.-acorenol 2.29 N
10 E-2-Hexenyl benzoate 2.28 N
11 Disulfide, di-tert-dodecyl 2.27 N
12 Bicyclo[3.1.1]hept-2-en-4-ol, 2,6,6-trimethyl-, acetate 2.21 P
13 (9-Oxabicyclo[3.3.1]non-6-en-3-yl)methanol 2.21 P
14 1-Methoxyadamantane 2.20 N
15 Phytol, acetate 2.19 P
16 3-Buten-2-one, 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)- 2.19 N
17 R-Limonene 2.19 P
18 1,6-Octadien-3-ol, 3,7-dimethyl- 2.17 N
19 3-Buten-2-one, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)- 2.16 N
20 Heptadecane, 2,6,10,15-tetramethyl- 2.13 N
21 Hexanoic acid, 3-hexenyl ester, (Z)- 2.08 P
22 5-Ethyl-5-methyl-2-phenyl-2-oxazoline 1.97 N
23 1,2-Propanediol diformate 1.95 P
24 2H-Pyran-3-ol, 6-ethenyltetrahydro-2,2,6-trimethyl- 1.92 P
25 4-Epi-cubedol 1.92 N
26 4-(2,4,4-Trimethyl-cyclohexa-1,5-dienyl)-but-3-en-2-one 1.91 N
27 Terpinyl formate 1.87 P
28 1,6,10-Dodecatrien-3-ol, 3,7,11-trimethyl- 1.87 N
29 Benzenepropanoic acid, alpha.-(hydroxyimino)- 1.87 N
30 Formic acid, 3,7,11-trimethyl-1,6,10-dodecatrien-3-yl ester 1.84 P
31 Cyclopentanone, 2-cyclopentylidene- 1.77 N
32 Acetic acid, (1,2,3,4,5,6,7,8-octahydro-3,8,8-trimethylnaphth-2-yl)methyl ester 1.76 P
33 N-[3-[N-Aziridyl]propylidene]tetrahydrofurfurylamine 1.74 N
34 Cyclohexanol, 4-methyl-, trans- 1.74 P
35 Hexanoic acid, hexyl ester 1.74 P
36 2-Octen-1-ol, 3,7-dimethyl-, isobutyrate, (Z)- 1.71 N
37 [5,5-Dimethyl-6-(3-methyl-buta-1,3-dienyl)-7-oxa-bicyclo[4.1.0]hept-1-yl]-methanol 1.69 N
38 d-Limonene 1.69 N
39 2,5-Octadecadiynoic acid, methyl ester 1.69 N
40 1-Penten-3-one, 1-(2,6,6-trimethyl-1-cyclohexen-1-yl)- 1.65 P
41 10-Undecynoic acid, methyl ester 1.64 P
42 Phenol, 2,4,6-tris(1,1-dimethylethyl)- 1.59 N
43 1-Heptatriacotanol 1.57 N
44 Tetrapentacontane, 1,54-dibromo- 1.56 P
45 Hexanoic acid, 2-hexenyl ester, (E)- 1.54 P
46 Butanoic acid, 3-methyl-, 2-hexenyl ester, (E)- 1.53 N
47 Octadecanal, 2-bromo- 1.53 P
48 (3-Fluorophenyl) methanol, 3-methylbutyl ether 1.52 P
49 2,7-Octadiene-1,6-diol, 2,6-dimethyl- 1.52 N
50 7-Oxabicyclo[4.1.0]heptane, 1-methyl-4-(2-methyloxiranyl)- 1.52 N
51 E-10-Methyl-11-tetradecen-1-ol propionate 1.52 P
52 17-Octadecynoic acid 1.50 N
53 Cyclohexene, 1-(2-nitro-2-propenyl)- 1.50 P
54 Acetamide, N-(4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-yl)-, (1-alpha. 2-beta, 5-alpha)- 1.49 P
55 (2,2,6-Trimethyl-bicyclo[4.1.0]hept-1-yl)-methanol 1.48 P
56 10-Heptadecen-8-ynoic acid, methyl ester, (E)- 1.48 N
57 tert-Hexadecanethiol 1.46 P
58 Undec-10-ynoic acid 1.45 P
59 2,6-Octadiene-1,8-diol, 2,6-dimethyl- 1.44 P
60 Hexanal 1.44 P
61 Geranyl isovalerate 1.41 N
62 3-Isopropylidene-5-methyl-hex-4-en-2-one 1.37 N
63 2,4-Di-t-butyladamantane-2,4-diol 1.36 N
64 7-Propylidene-bicyclo[4.1.0]heptane 1.36 P
65 2,4-Nonadienal, (E,E)- 1.35 P
66 3,7-Octadiene-2,6-diol, 2,6-dimethyl- 1.35 N
67 (−)-Myrtenol 1.35 P
68 4-(2,5-Dihydro-3-methoxyphenyl)butylamine 1.35 N
69 2-Pentadecanone, 6,10,14-trimethyl- 1.34 P
70 N-Benzyl-2-aminocinnamate, methyl ester 1.34 N
71 2,2-Difluoroethanol, tert-butyldimethylsilyl ether 1.33 P
72 Fumaric acid, 2-methylcyclohex-1-enylmethyl pentadecyl ester 1.33 N
73 2,5-Dimethylcyclohexanol 1.32 N
74 3-Decanynoic acid 1.31 P
75 2,4-Heptadienal, (E,E)- 1.31 P
76 2(4H)-Benzofuranone, 5,6,7,7a-tetrahydro-4,4,7a-trimethyl-, (R)- 1.30 N
77 Dodecane, 2-methyl- 1.29 N
78 Benzaldehyde 1.29 N
79 1b,4a-Epoxy-2H-cyclopenta[3,4]cyclopropa[8,9]cycloundec[1,2-b]oxiren-5(1aH)-one, 2,7,9,10-tetrakis(acetyloxy)decahydro-3,6,8,8,10a-pentamethyl- 1.26 N
80 Pyrazine, 2-ethyl-3,5-dimethyl- 1.26 N
81 Butanoic acid, 2-methyl-, hexyl ester 1.26 N
82 Limonen-6-ol, pivalate 1.25 P
83 Oct-3-ene-1,5-diyne, 3-t-butyl-7,7-dimethyl- 1.23 N
84 Naphthalene, 1,2,3,5,6,8a-hexahydro-4,7-dimethyl-1-(1-methylethyl)-, (1S-cis)- 1.21 N
85 Tricyclo[2.2.1.0(2,6)]heptan-3-ol, 4,5,5-trimethyl- 1.16 N
86 7-Methyl-Z-tetradecen-1-ol acetate 1.16 N
87 Tricyclo[4.2.2.0(1,5)]decan-7-ol 1.14 P
88 1,5,5-Trimethyl-6-methylene-cyclohexene 1.12 N
89 Mesitylene 1.11 N
90 cis-3-Hexenyl-, alpha.-methylbutyrate 1.10 N
91 3-Cyclohexen-1-carboxaldehyde, 3,4-dimethyl- 1.10 N
92 2-Methyl-4-(2,6,6-trimethylcyclohex-2-enyl)but-3-en-2-ol 1.09 N
93 1,2-15,16-Diepoxyhexadecane 1.08 N
94 cis-, beta, -Farnesene 1.07 P
95 Naphthalene, 1,2-dihydro-1,1,6-trimethyl- 1.02 P
96 Caryophyllene 1.02 N
97 Cedrane, 8-propoxy- 1.02 P
98 Ethyl iso-allocholate 1.02 P
99 10-Hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-eicosahydropicene-2-carboxylic acid 1.01 N
a

P: relative content of compound is positively correlated with roasting degree. N: relative content of compound is negatively correlated with roasting degree.