Species with data from:

Riahi, S.; Pourbasheer, E.; Ganjali, M.R.; Norouzi, P., Investigation of different linear and non-linear chemometric methods for modeling of retention index of essential oil components: Concerns to support vector mashine, J. Hazard. Mat., 2009, 166, 2-3, 853-859, https://doi.org/10.1016/j.jhazmat.2008.11.097 .

90 matching species were found.

For each matching species the following will be displayed:

• Chemical name
• Chemical formula

Click on the name to see more data.

1. Limonene (C₁₀H₁₆)
2. Linalool (C₁₀H₁₈O)
3. α-Pinene (C₁₀H₁₆)
4. Caryophyllene (C₁₅H₂₄)
5. p-Cymene (C₁₀H₁₄)
6. β-Myrcene (C₁₀H₁₆)
7. β-Pinene (C₁₀H₁₆)
8. α-Terpineol (C₁₀H₁₈O)
9. Terpinen-4-ol (C₁₀H₁₈O)
10. Humulene (C₁₅H₂₄)
11. Naphthalene, 1,2,3,5,6,8a-hexahydro-4,7-dimethyl-1-(1-methylethyl)-, (1S-cis)- (C₁₅H₂₄)
12. α-Copaene (C₁₅H₂₄)
13. Bicyclo[3.1.0]hexane, 4-methylene-1-(1-methylethyl)- (C₁₀H₁₆)
14. Cyclohexene, 1-methyl-4-(1-methylethylidene)- (C₁₀H₁₆)
15. Camphene (C₁₀H₁₆)
16. Germacrene D (C₁₅H₂₄)
17. Caryophyllene oxide (C₁₅H₂₄O)
18. Eucalyptol (C₁₀H₁₈O)
19. Hexanal (C₆H₁₂O)
20. Nonanal (C₉H₁₈O)
21. trans-β-Ocimene (C₁₀H₁₆)
22. α-Phellandrene (C₁₀H₁₆)
23. Cyclohexane, 1-ethenyl-1-methyl-2,4-bis(1-methylethenyl)-, [1S-(1α,2β,4β)]- (C₁₅H₂₄)
24. Bicyclo[3.1.0]hex-2-ene, 2-methyl-5-(1-methylethyl)- (C₁₀H₁₆)
25. 1,3,6-Octatriene, 3,7-dimethyl-, (Z)- (C₁₀H₁₆)
26. 1H-Cycloprop[e]azulen-7-ol, decahydro-1,1,7-trimethyl-4-methylene-, [1ar-(1aα,4aα,7β,7aβ,7bα)]- (C₁₅H₂₄O)
27. Octanal (C₈H₁₆O)
28. Decanal (C₁₀H₂₀O)
29. Bicyclo[3.1.0]hexan-2-ol, 2-methyl-5-(1-methylethyl)-, (1α,2α,5α)- (C₁₀H₁₈O)
30. 2-Hexenal, (E)- (C₆H₁₀O)
31. Thymol (C₁₀H₁₄O)
32. 1,6,10-Dodecatrien-3-ol, 3,7,11-trimethyl-, (E)- (C₁₅H₂₆O)
33. Carvone (C₁₀H₁₄O)
34. Phenol, 2-methyl-5-(1-methylethyl)- (C₁₀H₁₄O)
35. α-Farnesene (C₁₅H₂₄)
36. 5-Hepten-2-one, 6-methyl- (C₈H₁₄O)
37. (E)-β-Famesene (C₁₅H₂₄)
38. Benzenemethanol, α,α,4-trimethyl- (C₁₀H₁₄O)
39. Citronellol (C₁₀H₂₀O)
40. 2-Naphthalenemethanol, decahydro-α,α,4a-trimethyl-8-methylene-, [2R-(2α,4aα,8aβ)]- (C₁₅H₂₆O)
41. 2-Furanmethanol, 5-ethenyltetrahydro-α,α,5-trimethyl-, cis- (C₁₀H₁₈O₂)
42. trans-Linalool oxide (furanoid) (C₁₀H₁₈O₂)
43. trans-Carveol (C₁₀H₁₆O)
44. Cyclohexene, 4-ethenyl-4-methyl-3-(1-methylethenyl)-1-(1-methylethyl)-, (3R-trans)- (C₁₅H₂₄)
45. 1-Naphthalenol, 1,2,3,4,4a,7,8,8a-octahydro-1,6-dimethyl-4-(1-methylethyl)-, [1R-(1α,4β,4aβ,8aβ)]- (C₁₅H₂₆O)
46. 2,6-Octadien-1-ol, 3,7-dimethyl-, acetate, (Z)- (C₁₂H₂₀O₂)
47. 5,9-Undecadien-2-one, 6,10-dimethyl-, (E)- (C₁₃H₂₂O)
48. Cyclohexanemethanol, 4-ethenyl-α,α,4-trimethyl-3-(1-methylethenyl)-, [1R-(1α,3α,4β)]- (C₁₅H₂₆O)
49. Bicyclo[3.1.1]hept-2-ene-2-carboxaldehyde, 6,6-dimethyl- (C₁₀H₁₄O)
50. Acetic acid, butyl ester (C₆H₁₂O₂)
51. Ylangene (C₁₅H₂₄)
52. Dodecanal (C₁₂H₂₄O)
53. 3-Cyclopentene-1-acetaldehyde, 2,2,3-trimethyl-, (R)- (C₁₀H₁₆O)
54. Undecanal (C₁₁H₂₂O)
55. 6-Octen-1-ol, 3,7-dimethyl-, acetate (C₁₂H₂₂O₂)
56. 2-Cyclohexen-1-one, 3-methyl-6-(1-methylethyl)- (C₁₀H₁₆O)
57. Citronellal (C₁₀H₁₈O)
58. Cyclohexene, 3-(1,5-dimethyl-4-hexenyl)-6-methylene-, [S-(R*,S*)]- (C₁₅H₂₄)
59. Benzaldehyde, 4-(1-methylethyl)- (C₁₀H₁₂O)
60. 2-Cyclohexen-1-ol, 2-methyl-5-(1-methylethenyl)-, cis- (C₁₀H₁₆O)
61. 2-Cyclohexen-1-ol, 1-methyl-4-(1-methylethyl)-, trans- (C₁₀H₁₈O)
62. 2-Cyclohexen-1-ol, 1-methyl-4-(1-methylethyl)-, cis- (C₁₀H₁₈O)
63. γ-Elemene (C₁₅H₂₄)
64. Thujone (C₁₀H₁₆O)
65. Fenchone (C₁₀H₁₆O)
66. 1-Cyclohexene-1-carboxaldehyde, 4-(1-methylethenyl)- (C₁₀H₁₄O)
67. (3S,3aR,3bR,4S,7R,7aR)-4-Isopropyl-3,7-dimethyloctahydro-1H-cyclopenta[1,3]cyclopropa[1,2]benzen-3-ol (C₁₅H₂₆O)
68. Cedrol (C₁₅H₂₆O)
69. Heptanol (C₇H₁₆O)
70. 1H-3a,7-Methanoazulene, octahydro-3,8,8-trimethyl-6-methylene-, [3R-(3α,3aβ,7β,8aα)]- (C₁₅H₂₄)
71. p-Mentha-1,8-dien-7-ol (C₁₀H₁₆O)
72. (E)-1-Methyl-4-(6-methylhept-5-en-2-ylidene)cyclohex-1-ene (C₁₅H₂₄)
73. (3R,3aR,3bR,4S,7R,7aR)-4-Isopropyl-3,7-dimethyloctahydro-1H-cyclopenta[1,3]cyclopropa[1,2]benzen-3-ol (C₁₅H₂₆O)
74. Cyclohexanone, 2-methyl-5-(1-methylethenyl)-, trans- (C₁₀H₁₆O)
75. Spiro[5.5]undec-2-ene, 3,7,7-trimethyl-11-methylene-, (-)- (C₁₅H₂₄)
76. Bicyclo[3.1.1]heptan-3-one, 2,6,6-trimethyl-, (1α,2β,5α)- (C₁₀H₁₆O)
77. Furan, 3-(4-methyl-3-pentenyl)- (C₁₀H₁₄O)
78. 2-Cyclohexen-1-ol, 2-methyl-5-(1-methylethenyl)-, acetate, cis- (C₁₂H₁₈O₂)
79. 2,6,9,11-Dodecatetraenal, 2,6,10-trimethyl-, (E,E,E)- (C₁₅H₂₂O)
80. 4-Isopropylcyclohexa-1,3-dienecarbaldehyde (C₁₀H₁₄O)
81. 4,7-Methanoazulene, 1,2,3,4,5,6,7,8-octahydro-1,4,9,9-tetramethyl-, [1S-(1α,4α,7α)]- (C₁₅H₂₄)
82. Carvone oxide (C₁₀H₁₄O₂)
83. Patchouli alcohol (C₁₅H₂₆O)
84. Dill ether (C₁₀H₁₆O)
85. Drima-7,9(11)-diene (C₁₅H₂₄)
86. Disulfide, bis(1-methylethyl) (C₆H₁₄S₂)
87. Limonen-8,9-oxide (C₁₀H₁₆O)
88. trans-Limonen-1,2-oxide (C₁₀H₁₈O)
89. cis-Limonen-1,2-oxide (C₁₀H₁₈O)
90. α-Cedr-8(15)-en-9-al (C₁₅H₂₄O)

© 2026 by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved.

Copyright for NIST Standard Reference Data is governed by the Standard Reference Data Act.