Naphthalene, decahydro-4a-methyl-1-methylene-7-(1-methylethenyl)-, [4aR-(4aα,7α,8aβ)]-
- Formula: C15H24
- Molecular weight: 204.3511
- IUPAC Standard InChI: InChI=1S/C15H24/c1-11(2)13-7-9-15(4)8-5-6-12(3)14(15)10-13/h13-14H,1,3,5-10H2,2,4H3/t13-,14+,15-/m0/s1
- IUPAC Standard InChIKey: YOVSPTNQHMDJAG-ZNMIVQPWSA-N
- CAS Registry Number: 17066-67-0
- 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: β-Selinene; (+)-β-Selinene; Selina-4(14),11-diene; 7-Isopropenyl-4a-methyl-1-methylenedecahydronaphthalene; Eudesma-4(14),11-diene; β-Eudesmene; 7-Isopropenyl-4a-methyl-1-methylenedecahydronaphthalene-, (4aR-(4aα,7α,8aβ))-; 18423-23-9; selina-4(10),11-diene
- 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 | HP-Innowax | RTX-Wax | HP-Innowax | BP-20 | BP-20 |
| Column length (m) | 30. | 60. | 30. | 50. | 50. |
| Carrier gas | He | He | He | He | |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.22 | 0.25 | 0.22 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.5 | 0.25 | 0.25 |
| Tstart (C) | 60. | 60. | 60. | 60. | 60. |
| Tend (C) | 280. | 230. | 260. | 220. | 220. |
| Heat rate (K/min) | 3. | 2. | 3. | 2. | 2. |
| Initial hold (min) | |||||
| Final hold (min) | 35. | 20. | 20. | ||
| I | 1729. | 1708. | 1743. | 1715. | 1713. |
| Reference | Kundakovic, Fokialakis, et al., 2007 | Paolini, Muselli, et al., 2007 | Saroglou, Marin, et al., 2007 | Blanc, Bradesi, et al., 2006 | Bousmaha, Boti, et al., 2006 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | RTX-Wax | BP-20 | HP-Wax | BP-20 | DB-Wax |
| Column length (m) | 60. | 50. | 30. | 50. | 60. |
| Carrier gas | He | He | N2 | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.22 | 0.22 | 0.25 | 0.22 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 60. | 60. | 60. | 60. | 35. |
| Tend (C) | 230. | 220. | 220. | 220. | 220. |
| Heat rate (K/min) | 2. | 2. | 5. | 2. | 3. |
| Initial hold (min) | 10. | ||||
| Final hold (min) | 45. | 20. | 20. | ||
| I | 1706. | 1714. | 1715. | 1719. | 1719. |
| Reference | Cavalli, Tomi, et al., 2006 | Duquesnoy, Dinh, et al., 2006 | Flamini, Tebano, et al., 2006 | Gonny, Cavaleiro, et al., 2006 | Pala-Paul, Copeland, et al., 2006 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | RTX-Wax | PEG-20M | DB-Wax | BP-20 | DB-Wax |
| Column length (m) | 60. | 25. | 30. | 50. | 30. |
| Carrier gas | He | He | He | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.22 | 0.25 | 0.25 | 0.22 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.3 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 60. | 50. | 40. | 60. | 40. |
| Tend (C) | 230. | 220. | 250. | 220. | 250. |
| Heat rate (K/min) | 2. | 3. | 3. | 2. | 3. |
| Initial hold (min) | 1. | ||||
| Final hold (min) | 35. | 5. | 20. | 20. | 20. |
| I | 1686. | 1698. | 1702. | 1713. | 1698. |
| Reference | Paolini J., Desjobert J.M., et al., 2006 | Rubiolo P., Matteodo M., et al., 2006 | Fanciullino, Gancel, et al., 2005 | Ferrari, Tomi, et al., 2005 | Gancel, Ollitrault, et al., 2005 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | Innowax | BP-20 | Supelcowax-10 | HP-Wax | HP-Wax |
| Column length (m) | 50. | 50. | 30. | 30. | 30. |
| Carrier gas | He | He | He | N2 | N2 |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.22 | 0.2 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.2 | 0.25 | 0.25 |
| Tstart (C) | 50. | 60. | 70. | 60. | 60. |
| Tend (C) | 220. | 230. | 220. | 240. | 240. |
| Heat rate (K/min) | 2. | 2. | 3. | 3. | 3. |
| Initial hold (min) | 3. | ||||
| Final hold (min) | 20. | 35. | 15. | ||
| I | 1708. | 1716. | 1712. | 1705. | 1705. |
| Reference | Lee, Lee, et al., 2005 | Vellutini, Baldovini, et al., 2005 | Cavaleiro, Salgueiro, et al., 2004 | Flamini, Cioni, 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 | BP-20 | HP-Innowax | BP-20 | BP-20 | RTX-Wax |
| Column length (m) | 50. | 30. | 50. | 50. | 60. |
| Carrier gas | He | He | He | He | |
| Substrate | |||||
| Column diameter (mm) | 0.22 | 0.25 | 0.22 | 0.22 | 0.22 |
| Phase thickness (μm) | 0.25 | 0.5 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 60. | 60. | 60. | 60. | 60. |
| Tend (C) | 220. | 260. | 220. | 230. | 230. |
| Heat rate (K/min) | 2. | 3. | 2. | 2. | 2. |
| Initial hold (min) | |||||
| Final hold (min) | 20. | 20. | 35. | 45. | |
| I | 1716. | 1751. | 1708. | 1719. | 1709. |
| Reference | Gonny, Bradesi, et al., 2004 | Grujic-Jovanovic, Skaltsa, et al., 2004 | Tam, Thuam, et al., 2004 | Bianchini, Tomi, et al., 2003 | Cavalli, Tomi, et al., 2003 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-Wax | HP-20M | HP-Innowax | DB-Wax | Innowax |
| Column length (m) | 60. | 50. | 30. | 60. | 30. |
| Carrier gas | H2 | He | He | N2 | He |
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.2 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.2 | 0.5 | 0.25 | 0.5 |
| Tstart (C) | 40. | 70. | 60. | 70. | 60. |
| Tend (C) | 245. | 180. | 260. | 230. | 260. |
| Heat rate (K/min) | 1.5 | 4. | 3. | 2. | 3. |
| Initial hold (min) | 4. | ||||
| Final hold (min) | 20. | 10. | 20. | 10. | |
| I | 1698. | 1686. | 1743. | 1695. | 1727. |
| Reference | Gancel, Ollitrault, et al., 2003 | Jerkovic, Mastelic, et al., 2003 | Skaltsa, Demetzos, et al., 2003 | Choi, Kim. M.-S.L., et al., 2002 | Couladis, Chinou, et al., 2002 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | RTX-Wax | AT-Wax | DB-Wax | DB-Wax | DB-Wax |
| Column length (m) | 30. | 60. | 60. | 60. | 60. |
| Carrier gas | He | He | He | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.32 | 0.50 | 0.53 | 0.53 |
| Phase thickness (μm) | 0.25 | 0.25 | 1.0 | 1.0 | 1.0 |
| Tstart (C) | 45. | 65. | 60. | 50. | 50. |
| Tend (C) | 250. | 250. | 225. | 220. | 220. |
| Heat rate (K/min) | 3. | 2. | 3. | 3. | 3. |
| Initial hold (min) | 6. | 10. | |||
| Final hold (min) | 10. | 60. | |||
| I | 1694. | 1695. | 1720. | 1720. | 1720. |
| Reference | Mondello, Zappia, et al., 2002 | Pino, Marbot, et al., 2002 | Brophy, Goldsack, et al., 2000 | Brophy, Goldsack, et al., 2000, 2 | Brophy, Goldsack, et al., 2000, 3 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | CP-Wax 52CB | DB-Wax | DB-Wax | BP-20 | Carbowax 20M |
| Column length (m) | 25. | 60. | 60. | 50. | 25. |
| Carrier gas | He | He | He | H2 | |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.53 | 0.53 | 0.22 | 0.25 |
| Phase thickness (μm) | 0.15 | 0.25 | 0.3 | ||
| Tstart (C) | 40. | 50. | 50. | 60. | 50. |
| Tend (C) | 220. | 220. | 220. | 220. | 200. |
| Heat rate (K/min) | 3. | 3. | 3. | 2. | 3. |
| Initial hold (min) | 5. | 1. | |||
| Final hold (min) | 20. | 20. | |||
| I | 1720. | 1720. | 1720. | 1712. | 1713. |
| Reference | Chagonda, Makanda, et al., 2000 | Brophy, Goldsack, et al., 1999 | Brophy, Goldsack, et al., 1999, 2 | Mazzoni, Tomi, et al., 1999 | Bicchi, Rubiolo, 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 | SP-1000 | DB-Wax | DB-Wax | DB-Wax |
| Column length (m) | 60. | 85. | 60. | 60. | 30. |
| Carrier gas | He | He | He | He | |
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.5 | 0.32 | 0.32 | 0.32 |
| Phase thickness (μm) | 0.5 | ||||
| Tstart (C) | 35. | 60. | 65. | 35. | 40. |
| Tend (C) | 220. | 225. | 225. | 220. | 245. |
| Heat rate (K/min) | 3. | 3. | 3. | 3. | 3. |
| Initial hold (min) | 3. | ||||
| Final hold (min) | 20. | ||||
| I | 1724. | 1720. | 1720. | 1720. | 1700. |
| Reference | Brophy, Forster, et al., 1998 | Brophy, Forster, et al., 1998, 2 | Brophy, Goldsack, et al., 1998 | Brophy, Goldsack, et al., 1998, 2 | Ollé, Baumes, et al., 1998 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | Carbowax 20M | DB-Wax | SP-1000 | DB-Wax | DB-Wax |
| Column length (m) | 25. | 60. | 85. | 60. | 60. |
| Carrier gas | He | He | He | He | |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.32 | 0.5 | 0.32 | 0.20 |
| Phase thickness (μm) | 0.3 | 0.5 | 0.20 | ||
| Tstart (C) | 50. | 65. | 65. | 50. | 70. |
| Tend (C) | 200. | 225. | 225. | 225. | 180. |
| Heat rate (K/min) | 3. | 3. | 3. | 2. | 2. |
| Initial hold (min) | 1. | 5. | |||
| Final hold (min) | 20. | 20. | |||
| I | 1713. | 1720. | 1720. | 1750. | 1725. |
| Reference | Bicchi, Fresia, et al., 1997 | Brophy, Goldsack, et al., 1997 | Brophy, Goldsack, et al., 1997, 2 | Sagrero-Nieves, Bartley, et al., 1997 | Stashenko, Wiame, et al., 1995 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary |
|---|---|
| Active phase | HP-20M |
| Column length (m) | 50. |
| Carrier gas | He |
| Substrate | |
| Column diameter (mm) | 0.25 |
| Phase thickness (μm) | |
| Tstart (C) | 60. |
| Tend (C) | 190. |
| Heat rate (K/min) | 3. |
| Initial hold (min) | |
| Final hold (min) | |
| I | 1711. |
| Reference | Chung, Eiserich, et al., 1993 |
| Comment | 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.
Kundakovic, Fokialakis, et al., 2007
Kundakovic, T.; Fokialakis, N.; Kovacevic, N.; Chinou, I.,
Essential oil composition of Achillea lingulata and A. umbellata,
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Paolini, Muselli, et al., 2007
Paolini, J.; Muselli, A.; Bernardini, A.-F.; Bighelli, A.; Casanova, J.; Costa, J.,
Thymol derivatives from essential oil of Doronicum corsicum L.,
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Saroglou, Marin, et al., 2007
Saroglou, V.; Marin, P.D.; Rancic, A.; Veljic, M.; Skaltsa, H.,
Composition and antimicrobial activity of the essential oil of six Hypericum species from Serbia,
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Blanc, Bradesi, et al., 2006
Blanc, M.-C.; Bradesi, P.; Goncalves, M.J.; Salgueiro, L.; Casanova, J.,
Essential oil of Dittrichia viscosa ssp. viscosa: analysis by 13C-NMR and antimicrobial activity,
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Bousmaha, Boti, et al., 2006
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Cavalli, Tomi, et al., 2003
Cavalli, J.-F.; Tomi, F.; Bernardini, A.-F.; Casanova, J.,
Composition and chemical variability of the bark oil of Cedrelopsis grevei H. Baillon from Madagascar,
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Gancel, Ollitrault, et al., 2003
Gancel, A.-L.; Ollitrault, P.; Froelicher, Y.; Tomi, F.; Jacquemond, C.; Luro, F.; Brillouet, J.-M.,
Leaf volatile compounds of seven citrus somatic tetraploid hybrids sharing willow leaf mandarin (Citrus deliciosa Ten.) as their common parent,
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Skaltsa, Demetzos, et al., 2003
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Essential oil analysis and antimicrobial activity of eight Stachys species from Greece,
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Choi, Kim. M.-S.L., et al., 2002
Choi, H.-S.; Kim. M.-S.L.; Sawamura, M.,
Constituents of the essential oil of cnidium officinale Makino, a Korean medicinal plant,
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Couladis, Chinou, et al., 2002
Couladis, M.; Chinou, I.B.; Tzakou, O.; Loukis, A.,
Composition and antimicrobial activity of the essential oil of Ballota pseudodictamnus L. Bentham,
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Mondello, Zappia, et al., 2002
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Leaf essential oils of the genus Leptospermum (Myrtaceae) in eastern Australia. Part 7. Leptospermum petersonii, L. liversidgei and allies,
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Brophy, Goldsack, et al., 1999
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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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