1H-Cycloprop[e]azulen-7-ol, decahydro-1,1,7-trimethyl-4-methylene-, [1ar-(1aα,4aα,7β,7aβ,7bα)]-
- Formula: C15H24O
- Molecular weight: 220.3505
- IUPAC Standard InChI: InChI=1S/C15H24O/c1-9-5-6-11-13(14(11,2)3)12-10(9)7-8-15(12,4)16/h10-13,16H,1,5-8H2,2-4H3/t10?,11?,12?,13?,15-/m1/s1
- IUPAC Standard InChIKey: FRMCCTDTYSRUBE-OUZJWQAESA-N
- CAS Registry Number: 6750-60-3
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Stereoisomers:
- Other names: (1aR,4aR,7S,7aR,7bR)-1,1,7-Trimethyl-4-methylenedecahydro-1H-cyclopropa[e]azulen-7-ol; Spathulenol; 1,1,7-Trimethyl-4-methylenedecahydro-1H-cyclopropa[e]azulen-7-ol-, (1aR-(1aα,4aα,7β,7aβ,7bα))-; (+)-Spathulenol; Espatulenol; Spatulenol
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Other data available:
- Options:
Van Den Dool and Kratz RI, polar column, temperature ramp
Go To: Top, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | BP-20 | BP-20 | HP-Innowax | BP-20 | RTX-Wax |
| Column length (m) | 50. | 50. | 30. | 50. | 60. |
| Carrier gas | He | He | He | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.22 | 0.22 | 0.25 | 0.22 | 0.22 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 60. | 60. | 60. | 60. | 60. |
| Tend (C) | 220. | 220. | 280. | 220. | 230. |
| Heat rate (K/min) | 2. | 2. | 3. | 2. | 2. |
| Initial hold (min) | |||||
| Final hold (min) | 20. | 20. | 20. | 35. | |
| I | 2120. | 2133. | 2140. | 2132. | 2103. |
| Reference | Boti, Koukoua, et al., 2007 | Castilho, Liu, et al., 2007 | Kundakovic, Fokialakis, et al., 2007 | Lesueur, de Rocca Serra, et al., 2007 | Paolini J., Costa J., et al., 2007 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | RTX-Wax | HP-Innowax | Polyethylene Glycol | HP-Wax | BP-20 |
| Column length (m) | 60. | 30. | 30. | 30. | 50. |
| Carrier gas | He | He | N2 | N2 | He |
| Substrate | |||||
| Column diameter (mm) | 0.22 | 0.25 | 0.32 | 0.25 | 0.22 |
| Phase thickness (μm) | 0.25 | 0.5 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 60. | 60. | 50. | 60. | 60. |
| Tend (C) | 230. | 260. | 230. | 220. | 220. |
| Heat rate (K/min) | 2. | 3. | 2. | 5. | 2. |
| Initial hold (min) | 10. | 10. | |||
| Final hold (min) | 35. | 15. | 20. | ||
| I | 2103. | 2121. | 2138. | 2136. | 2124. |
| Reference | Paolini, Muselli, et al., 2007 | Saroglou, Marin, et al., 2007 | Dob, Dahmane, et al., 2006 | Flamini, Tebano, et al., 2006 | Gonny, Cavaleiro, et al., 2006 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-Wax | Supelcowax-10 | DB-Wax | Innowax | RTX-Wax |
| Column length (m) | 60. | 30. | 60. | 50. | 60. |
| Carrier gas | He | He | N2 | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.2 | 0.25 | 0.25 | 0.22 |
| Phase thickness (μm) | 0.25 | 0.2 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 35. | 70. | 70. | 50. | 60. |
| Tend (C) | 220. | 220. | 230. | 220. | 230. |
| Heat rate (K/min) | 3. | 3. | 2. | 2. | 2. |
| Initial hold (min) | 2. | 3. | |||
| Final hold (min) | 15. | 20. | 20. | 35. | |
| I | 2131. | 2113. | 2133. | 2127. | 2103. |
| Reference | Pala-Paul, Copeland, et al., 2006 | Pinto, Pina-Vaz, et al., 2006 | Choi, 2005 | Lee, Lee, et al., 2005 | Paolini, Costa, et al., 2005 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | BP-20 | DB-Wax | DB-Wax | Supelcowax-10 | HP-Wax |
| Column length (m) | 50. | 30. | 60. | 30. | 30. |
| Carrier gas | He | N2 | He | He | N2 |
| Substrate | |||||
| Column diameter (mm) | 0.22 | 0.25 | 0.32 | 0.2 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.2 | 0.25 |
| Tstart (C) | 60. | 60. | 32. | 70. | 60. |
| Tend (C) | 230. | 220. | 220. | 220. | 240. |
| Heat rate (K/min) | 2. | 5. | 3. | 3. | 3. |
| Initial hold (min) | 10. | ||||
| Final hold (min) | 35. | 15. | |||
| I | 2124. | 2151. | 2132. | 2113. | 2106. |
| Reference | Vellutini, Baldovini, et al., 2005 | Bertoli, Menichini, et al., 2004 | Brophy, Goldsack, et al., 2004 | Cavaleiro, Salgueiro, et al., 2004 | Flamini, Cioni, et al., 2004 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | HP-Wax | HP-Innowax | DB-Wax | HP-Wax | DB-Wax |
| Column length (m) | 30. | 30. | 30. | 30. | 60. |
| Carrier gas | N2 | He | He | N2 | N2 |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.5 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 60. | 60. | 40. | 60. | 70. |
| Tend (C) | 220. | 260. | 200. | 220. | 230. |
| Heat rate (K/min) | 5. | 3. | 4. | 5. | 2. |
| Initial hold (min) | 10. | 5. | 10. | 2. | |
| Final hold (min) | 20. | 20. | |||
| I | 2133. | 2135. | 2106. | 2133. | 2129. |
| Reference | Flamini, Luigi Cioni, et al., 2004 | Grujic-Jovanovic, Skaltsa, et al., 2004 | Yu, Kim, et al., 2004 | Bader, Caponi, et al., 2003 | Choi, 2003 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | RTX-Wax | HP-Innowax | HP-Innowax | RTX-Wax | BP-20 |
| Column length (m) | 30. | 30. | 30. | 30. | 50. |
| Carrier gas | He | He | He | He | |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.22 |
| Phase thickness (μm) | 0.25 | 0.5 | 0.5 | 0.25 | 0.25 |
| Tstart (C) | 45. | 60. | 60. | 45. | 60. |
| Tend (C) | 250. | 260. | 260. | 250. | 220. |
| Heat rate (K/min) | 3. | 3. | 3. | 3. | 2. |
| Initial hold (min) | 6. | 6. | |||
| Final hold (min) | 10. | 20. | |||
| I | 2092. | 2121. | 2151. | 2089. | 2113. |
| Reference | Shellie, Marriott, et al., 2003 | Skaltsa, Demetzos, et al., 2003 | Tzakou, Couladis, et al., 2003 | Mondello, Zappia, et al., 2002 | Pintore, Usai, et al., 2002 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | HP-Innowax | HP-Innowax | BP-20 | DB-Wax | DB-Wax |
| Column length (m) | 30. | 30. | 50. | 60. | 60. |
| Carrier gas | He | He | He | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.22 | 0.50 | 0.53 |
| Phase thickness (μm) | 0.50 | 0.50 | 0.25 | 1.0 | 1.0 |
| Tstart (C) | 60. | 60. | 60. | 60. | 50. |
| Tend (C) | 260. | 260. | 220. | 225. | 220. |
| Heat rate (K/min) | 3. | 3. | 2. | 3. | 3. |
| Initial hold (min) | |||||
| Final hold (min) | 10. | ||||
| I | 2149. | 2151. | 2115. | 2136. | 2136. |
| Reference | Couladis, Baziou, et al., 2001 | Couladis, Tzakou, et al., 2001 | Lota, Serra, et al., 2001 | Brophy, Goldsack, et al., 2000 | Brophy, Goldsack, et al., 2000, 2 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-Wax | CP-Wax 52CB | DB-Wax | DB-Wax | DB-Wax |
| Column length (m) | 60. | 25. | 60. | 30. | 60. |
| Carrier gas | He | N2 | He | He | |
| Substrate | |||||
| Column diameter (mm) | 0.53 | 0.25 | 0.25 | 0.25 | 0.53 |
| Phase thickness (μm) | 1.0 | 0.15 | 0.25 | 0.25 | |
| Tstart (C) | 50. | 40. | 70. | 40. | 50. |
| Tend (C) | 220. | 220. | 230. | 200. | 220. |
| Heat rate (K/min) | 3. | 3. | 2. | 2. | 3. |
| Initial hold (min) | 5. | 2. | 5. | ||
| Final hold (min) | 20. | 20. | |||
| I | 2136. | 2097. | 2121. | 2109. | 2136. |
| Reference | Brophy, Goldsack, et al., 2000, 3 | Chagonda, Makanda, et al., 2000 | Choi and Sawamura, 2000 | Kim, Thuy, et al., 2000 | Brophy, Goldsack, et al., 1999 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-Wax | Carbowax 20M | DB-Wax | SP-1000 | DB-Wax |
| Column length (m) | 60. | 25. | 60. | 85. | 60. |
| Carrier gas | He | H2 | He | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.53 | 0.25 | 0.32 | 0.5 | 0.32 |
| Phase thickness (μm) | 0.3 | ||||
| Tstart (C) | 50. | 50. | 35. | 60. | 65. |
| Tend (C) | 220. | 200. | 220. | 225. | 225. |
| Heat rate (K/min) | 3. | 3. | 3. | 3. | 3. |
| Initial hold (min) | 1. | ||||
| Final hold (min) | 20. | ||||
| I | 2136. | 2130. | 2132. | 2136. | 2136. |
| Reference | Brophy, Goldsack, et al., 1999, 2 | Bicchi, Rubiolo, et al., 1998 | Brophy, Forster, et al., 1998 | Brophy, Forster, et al., 1998, 2 | Brophy, Goldsack, et al., 1998 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-Wax | Carbowax 20M | DB-Wax | SP-1000 | BP-20 |
| Column length (m) | 60. | 25. | 60. | 85. | 50. |
| Carrier gas | He | He | He | He | |
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.25 | 0.32 | 0.5 | 0.22 |
| Phase thickness (μm) | 0.3 | 0.25 | |||
| Tstart (C) | 35. | 50. | 65. | 65. | 60. |
| Tend (C) | 220. | 200. | 225. | 225. | 230. |
| Heat rate (K/min) | 3. | 3. | 3. | 3. | 2. |
| Initial hold (min) | 1. | ||||
| Final hold (min) | 20. | 35. | |||
| I | 2136. | 2130. | 2136. | 2136. | 2114. |
| Reference | Brophy, Goldsack, et al., 1998, 2 | Bicchi, Fresia, et al., 1997 | Brophy, Goldsack, et al., 1997 | Brophy, Goldsack, et al., 1997, 2 | Mariotti, Costa, et al., 1997 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|
| Active phase | BP-20 | CP-Wax 52CB | Carbowax 20M | DB-Wax |
| Column length (m) | 50. | 50. | 50. | 30. |
| Carrier gas | He | H2 | He | He |
| Substrate | ||||
| Column diameter (mm) | 0.22 | 0.23 | 0.2 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.12 | 0.2 | 0.5 |
| Tstart (C) | 60. | 50. | 30. | 40. |
| Tend (C) | 230. | 200. | 170. | 220. |
| Heat rate (K/min) | 2. | 1.5 | 4. | 3. |
| Initial hold (min) | 10. | 2. | ||
| Final hold (min) | 35. | 10. | 20. | |
| I | 2119. | 2145. | 2103. | 2121. |
| Reference | Mariotti, Tomi, et al., 1997 | Chyau, Mau, et al., 1996 | Píry, Príbela, et al., 1995 | Le Quere and Latrasse, 1990 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Van Den Dool and Kratz RI, polar column, temperature ramp, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Boti, Koukoua, et al., 2007
Boti, J.B.; Koukoua, G.; N'Guessan, T.Y.; Casanova, J.,
Chemical variability of Conyza sumatrensis and Microglossa pyrifolia from Côte d'Ivoire,
Flavour Fragr. J., 2007, 22, 1, 27-31, https://doi.org/10.1002/ffj.1743
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Castilho, Liu, et al., 2007
Castilho, P.; Liu, K.; Rodrigues, A.I.; Feio, S.; Tomi, F.; Casanova, J.,
Composition and antimicrobial activity of the essential oil of Clinopodium ascendens (Jordan) Sampaio from Madeira,
Flavour Fragr. J., 2007, 22, 2, 139-144, https://doi.org/10.1002/ffj.1771
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Kundakovic, Fokialakis, et al., 2007
Kundakovic, T.; Fokialakis, N.; Kovacevic, N.; Chinou, I.,
Essential oil composition of Achillea lingulata and A. umbellata,
Flavour Fragr. J., 2007, 22, 3, 184-187, https://doi.org/10.1002/ffj.1778
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Lesueur, de Rocca Serra, et al., 2007
Lesueur, D.; de Rocca Serra, D.; Bighelli, A.; Hoi, T.M.; Ban, N.K.; Thai, T.H.; Casanova, J.,
Chemical composition and antibacterial activity of the essential oil of Michelia foveolata Merryll ex Dandy from Vietnam,
Flavour Fragr. J., 2007, 22, 4, 317-321, https://doi.org/10.1002/ffj.1799
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Paolini J., Costa J., et al., 2007
Paolini J.; Costa J.; Bernardini A.F.,
Analysis of the essential oil from the roots of Eupatorium cannabinum subsp corsicum (L.) by GC, GC-MS and C-13-NMR,
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Paolini, Muselli, et al., 2007
Paolini, J.; Muselli, A.; Bernardini, A.-F.; Bighelli, A.; Casanova, J.; Costa, J.,
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Dob, Dahmane, et al., 2006
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Essential oil composition of Lavandula stoechas from Algeria,
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A multivariate statistical approach to Centaurea classification using essential oil composition data of some species from Turkey,
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Gonny, Cavaleiro, et al., 2006
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Analysis of Juniperus communis subsp. alpina needle, berry, wood and root oils by combination of GC, GC/MS and 13C-NMR,
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Characteristic odor components of kumquat (Fortunella japonica Swingle) peel oil,
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Paolini, J.; Costa, J.; Bernardini, A.,
Analysis of the essential oil from aerial parts of Eupatorium cannabinum subsp. corsicum (L.) by gas chromatography with electron impact and chemical ionization mass spectrometry,
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Bertoli, Menichini, et al., 2004
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Brophy, J.J.; Goldsack, R.J.; O'Sullivan, W.,
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Cavaleiro, Salgueiro, et al., 2004
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Essential oils of Galeopsis pubescens and G. tetrahit from Tuscany (Italy),
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Grujic-Jovanovic, Skaltsa, et al., 2004
Grujic-Jovanovic, S.; Skaltsa, H.D.; Marin, P.; Sokovic, M.,
Composition and antibacterial activity of the essential oil of six Stachys species from Serbia,
Flavour Fragr. J., 2004, 19, 2, 139-144, https://doi.org/10.1002/ffj.1275
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Yu, Kim, et al., 2004
Yu, E.J.; Kim, T.H.; Kim, K.H.; Lee, H.J.,
Aroma-active compounds of Pinus densiflora (red pine) needles,
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Bader, Caponi, et al., 2003
Bader, A.; Caponi, C.; Cioni, P.L.; Flamini, G.; Morelli, I.,
Composition of the essential oil of Ballota undulata, B. nigra ssp. foetida and B. saxatilis,
Flavour Fragr. J., 2003, 18, 6, 502-504, https://doi.org/10.1002/ffj.1257
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Choi, 2003
Choi, H.-S.,
Character impact odorants of Citrus Hallabong [(C. unshiu Marcov × C. sinensis Osbeck) × C. reticulata Blanco] cold-pressed peel oil,
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Shellie, Marriott, et al., 2003
Shellie, R.; Marriott, P.; Zappia, G.; Mondello, L.; Dugo, G.,
Interactive use of linear retention indices on polar and apolar columns with an MS-Library for reliable characterization of Australian tea tree and other Melaleuca sp. oils,
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Skaltsa, Demetzos, et al., 2003
Skaltsa, H.D.; Demetzos, C.; Lazari, D.; Sokovic, M.,
Essential oil analysis and antimicrobial activity of eight Stachys species from Greece,
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Tzakou, Couladis, et al., 2003
Tzakou, O.; Couladis, M.; Slavkovska, V.; Mimica-Dukic, N.; Jancic, R.,
The essential oil composition of Salvia brachyodon Vandas,
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Flavour Fragr. J., 2000, 15, 4, 271-277, https://doi.org/10.1002/1099-1026(200007/08)15:4<271::AID-FFJ910>3.0.CO;2-E
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Choi and Sawamura, 2000
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Composition of the essential oil of Citrus tamurana Hort. ex Tanaka (Hyuganatsu),
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Flavour Fragr. J., 1998, 13, 2, 87-89, https://doi.org/10.1002/(SICI)1099-1026(199803/04)13:2<87::AID-FFJ699>3.0.CO;2-Y
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Brophy, Goldsack, et al., 1998
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. [all data]
Notes
Go To: Top, Van Den Dool and Kratz RI, polar column, temperature ramp, References
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