3-Cyclohexen-1-ol, 1-(1,5-dimethyl-4-hexenyl)-4-methyl-
- Formula: C15H26O
- Molecular weight: 222.3663
- IUPAC Standard InChI: InChI=1S/C15H26O/c1-12(2)6-5-7-14(4)15(16)10-8-13(3)9-11-15/h6,8,14,16H,5,7,9-11H2,1-4H3/t14-,15+/m0/s1
- IUPAC Standard InChIKey: WTVHAMTYZJGJLJ-LSDHHAIUSA-N
- CAS Registry Number: 15352-77-9
- 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-Bisabolol
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Other data available:
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Van Den Dool and Kratz RI, non-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-5MS | RTX-1 | SPB-1 | HP-5MS | DB-5 |
| Column length (m) | 30. | 60. | 30. | 30. | 25. |
| Carrier gas | He | He | He | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.22 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 60. | 60. | 50. | 60. | 60. |
| Tend (C) | 250. | 230. | 250. | 280. | 200. |
| Heat rate (K/min) | 2. | 2. | 5. | 4. | 2. |
| Initial hold (min) | 8. | 3. | 5. | ||
| Final hold (min) | 30. | 35. | 15. | 60. | |
| I | 1672. | 1653. | 1674. | 1673. | 1675. |
| Reference | Benkaci-Ali, Baaliouamer, et al., 2007 | Paolini, Muselli, et al., 2007 | Radulovic, Lazarevic, et al., 2007 | Radulovic, Lazarevic, et al., 2007 | Rout, Rao, et al., 2007 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-5 | ZB-5 | RTX-1 | HP-5 | BP-1 |
| Column length (m) | 30. | 30. | 60. | 30. | 50. |
| Carrier gas | He | He | He | N2 | He |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.22 | 0.25 | 0.22 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 60. | 50. | 60. | 60. | 60. |
| Tend (C) | 260. | 250. | 230. | 220. | 220. |
| Heat rate (K/min) | 5. | 3. | 2. | 5. | 2. |
| Initial hold (min) | 10. | ||||
| Final hold (min) | 45. | 20. | |||
| I | 1684. | 1670. | 1653. | 1673. | 1651. |
| Reference | Sabulal, Dan, et al., 2007 | Simoniatto, Bonani, et al., 2007 | Cavalli, Tomi, 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 | HP-5MS | HP-5 | SE-54 | HP-5 | RTX-5 |
| Column length (m) | 30. | 30. | 25. | 30. | 30. |
| Carrier gas | He | N2 | H2 | N2 | He |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.2 | 0.25 | 0.25 |
| Tstart (C) | 60. | 60. | 50. | 60. | 45. |
| Tend (C) | 280. | 220. | 250. | 220. | 300. |
| Heat rate (K/min) | 4. | 5. | 4. | 5. | 3. |
| Initial hold (min) | 5. | 10. | 10. | 6. | |
| Final hold (min) | 10. | ||||
| I | 1679. | 1673. | 1665. | 1673. | 1674. |
| Reference | Saroglou, Dorizas, et al., 2006 | Celik, Gokturk, et al., 2005 | Simionatto, Porto, et al., 2005 | Bertoli, Pistelli, et al., 2004 | Dugo, Mondello, et al., 2004 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | HP-5MS | RTX-1 | HP-5 | DB-5 | HP-5 |
| Column length (m) | 30. | 60. | 30. | 30. | 30. |
| Carrier gas | He | He | N2 | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.22 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 60. | 60. | 60. | 75. | 60. |
| Tend (C) | 280. | 230. | 220. | 230. | 280. |
| Heat rate (K/min) | 4. | 2. | 5. | 3. | 4. |
| Initial hold (min) | 5. | 10. | 10. | 5. | |
| Final hold (min) | 45. | 20. | |||
| I | 1673. | 1652. | 1673. | 1675. | 1673. |
| Reference | Grujic-Jovanovic, Skaltsa, et al., 2004 | Cavalli, Tomi, et al., 2003 | Dural, Bagci, et al., 2003 | Jantan, Ling, et al., 2003 | Skaltsa, Demetzos, et al., 2003 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | HP-5 | DB-5 | HP-5MS | Mega 5MS | HP-5 |
| Column length (m) | 30. | 30. | 30. | 30. | 30. |
| Carrier gas | He | H2 | He | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 60. | 60. | 60. | 40. | 50. |
| Tend (C) | 280. | 240. | 280. | 240. | 280. |
| Heat rate (K/min) | 3. | 3. | 4. | 3. | 4. |
| Initial hold (min) | 5. | 2. | 5. | ||
| Final hold (min) | |||||
| I | 1672. | 1674. | 1671. | 1657. | 1671. |
| Reference | Tzakou, Couladis, et al., 2003 | Nogueira, Bittrich, et al., 2001 | Skaltsa, Mavrommati, et al., 2001 | Verzera, la Rosa, et al., 2000 | Lazari, Skaltsa, et al., 1999 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary |
|---|---|---|---|
| Active phase | Methyl Silicone | DB-5 | DB-1 |
| Column length (m) | 50. | 30. | 30. |
| Carrier gas | N2 | He | |
| Substrate | |||
| Column diameter (mm) | 0.25 | 0.25 | 0.20 |
| Phase thickness (μm) | 0.17 | 0.25 | 0.20 |
| Tstart (C) | 80. | 50. | 70. |
| Tend (C) | 200. | 250. | 200. |
| Heat rate (K/min) | 2. | 3. | 4. |
| Initial hold (min) | 5. | ||
| Final hold (min) | |||
| I | 1658. | 1685. | 1650. |
| Reference | Sumathykutty, Rao, et al., 1999 | Isidorov, Zenkevich, et al., 1998 | Stashenko, Wiame, et al., 1995 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Van Den Dool and Kratz RI, non-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.
Benkaci-Ali, Baaliouamer, et al., 2007
Benkaci-Ali, F.; Baaliouamer, A.; Meklati, B.Y.; Chemat, F.,
Chemical composition of seed essential oils from Algerian Nigella sativa extracted by microwave and hydrodistillation,
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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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Radulovic, Lazarevic, et al., 2007
Radulovic, N.; Lazarevic, J.; Ristic, N.; Palic, R.,
Chemotaxonomic significance of the volatiles in the genus Stachys (Lamiaceae): Essential oil composition of four Balkan Stachys species,
Biochem. Syst. Ecol., 2007, 35, 4, 196-208, https://doi.org/10.1016/j.bse.2006.10.010
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Rout, Rao, et al., 2007
Rout, P.K.; Rao, Y.R.; Sree., A.; Naik, S.N.,
Composition of essential oil, concrete, absolute, wax and headspace volatiles of Murrarya paniculata (Linn.) Jack flowers,
Flavour Fragr. J., 2007, 22, 5, 352-357, https://doi.org/10.1002/ffj.1804
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Sabulal, Dan, et al., 2007
Sabulal, B.; Dan, M.; John, A.; Kurup, R.; Chandrika, S.P.; George, V.,
Phenylbutanoid-rich rhizome oil of Zingiber neesanum from Western Ghats, southern India,
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Simoniatto, Bonani, et al., 2007
Simoniatto, E.; Bonani, V.F.L.; Morel, A.F.; Poppi, N.R.; Raposo, J.L., Jr.; Stuker, C.Z.; Peruzzo, G.M.; Peres, M.T.L.P.; Hess, S.C.,
Chemical composition and evaluation of antibacterial and antioxidant activities of the essential oil of Croton urucurana Baillon (Euphorbiaceae) stem bark,
J. Braz. Chem., 2007, 18, 5, 879-885, https://doi.org/10.1590/S0103-50532007000500002
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Cavalli, Tomi, et al., 2006
Cavalli, J.-F.; Tomi, F.; Bernardini, A.-F.; Casanova, J.,
Chemical variability of the essential oil of Helichrysum faradifani Sc. Ell. from Madagascar,
Flavour Fragr. J., 2006, 21, 1, 111-114, https://doi.org/10.1002/ffj.1531
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Flamini, Tebano, et al., 2006
Flamini, G.; Tebano, M.; Cioni, P.L.; Bagci, Y.; Dural, H.; Ertugrul, K.; Uysal, T.; Savran, A.,
A multivariate statistical approach to Centaurea classification using essential oil composition data of some species from Turkey,
Pl. Syst. Evol., 2006, 261, 1-4, 217-228, https://doi.org/10.1007/s00606-006-0448-3
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Gonny, Cavaleiro, et al., 2006
Gonny, M.; Cavaleiro, C.; Salgueiro, L.; Casanova, J.,
Analysis of Juniperus communis subsp. alpina needle, berry, wood and root oils by combination of GC, GC/MS and 13C-NMR,
Flavour Fragr. J., 2006, 21, 1, 99-106, https://doi.org/10.1002/ffj.1527
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Saroglou, Dorizas, et al., 2006
Saroglou, V.; Dorizas, N.; Kypriotakis, Z.; Skaltsa, H.D.,
Analysis of the essential oil composition of eight Anthemis species from Greece,
J. Chromatogr. A, 2006, 1104, 1-2, 313-322, https://doi.org/10.1016/j.chroma.2005.11.087
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Celik, Gokturk, et al., 2005
Celik, S.; Gokturk, R.S.; Flamini, G.; Cioni, P.L.; Morelli, I.,
Essential oils of Phlomis leucophracta, Phlomis chimerae and Phlomis grandiflora var. grandiflora from Turkey,
Biochem. Syst. Ecol., 2005, 33, 6, 617-623, https://doi.org/10.1016/j.bse.2004.11.010
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Simionatto, Porto, et al., 2005
Simionatto, E.; Porto, C.; da Silva, U.F.; Squizani, A.; Dalcol, I.I.; Morel, A.F.,
Composition and antimicrobial activity of the essential oil from Aloysia sellowii,
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Bertoli, Pistelli, et al., 2004
Bertoli, A.; Pistelli, L.; Morelli, I.; Fraternale, D.; Giamperi, L.; Ricci, D.,
Volatile constituents of different parts (roots, stems and leaves) of Smyrnium olusatrum L.,
Flavour Fragr. J., 2004, 19, 6, 522-525, https://doi.org/10.1002/ffj.1382
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Dugo, Mondello, et al., 2004
Dugo, P.; Mondello, L.; Zappia, G.; Bonaccorsi, I.; Cotroneo, A.; Russo, M.T.,
The composition of the volatile fraction and the enantiomeric distribution of five volatile components of faustrime oil (Monocitrus australatica x Fortunella sp. x Citrus aurantifolia),
J. Essent. Oil Res., 2004, 16, 4, 328-333, https://doi.org/10.1080/10412905.2004.9698734
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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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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,
Flavour Fragr. J., 2003, 18, 6, 532-538, https://doi.org/10.1002/ffj.1263
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Dural, Bagci, et al., 2003
Dural, H.; Bagci, Y.; Ertugrul, K.; Demirelma, H.; Flamini, G.; Cioni, P.L.; Morelli, I.,
Essential oil composition of two endemic Centaurea species from Turkey, Centaurea mucronifera and Centaurea chrysantha, collected in the same habitat,
Biochem. Syst. Ecol., 2003, 31, 12, 1417-1425, https://doi.org/10.1016/S0305-1978(03)00128-5
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Jantan, Ling, et al., 2003
Jantan, I.; Ling, Y.E.; Romli, S.; Ayop, N.; Ahmad, A.S.,
A comparative study of the constituents of the essential oils of three Cinnamomum species from Malaysia,
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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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Nogueira, Bittrich, et al., 2001
Nogueira, P.C.L.; Bittrich, V.; Shepherd, G.J.; Lopes, A.V.; Marsaioli, A.J.,
The ecological and taxonomic importance of flower volatiles of Clusia species (Guttiferae),
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Skaltsa, Mavrommati, et al., 2001
Skaltsa, H.D.; Mavrommati, A.; Constantinidis, T.,
A chemotaxonomic investigation of volatile constituents in Stachys subsect. Swainsonianeae (Labiatae),
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Verzera, la Rosa, et al., 2000
Verzera, A.; la Rosa, G.; Zappalà, M.; Cotroneo, A.,
Essential oil composition of different cultivars of bergamot grown in Sicily,
Ital. J. Food Sci., 2000, 12, 4, 493-501. [all data]
Lazari, Skaltsa, et al., 1999
Lazari, D.M.; Skaltsa, H.D.; Constantinidis, T.,
Essential oils of Marrubium velutinum Sm. and Marrubium peregrinum L., growing wild in Greece,
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Sumathykutty, Rao, et al., 1999
Sumathykutty, M.A.; Rao, J.M.; Padmakumari, K.P.; Narayanan, C.S.,
Essential oil constituents of some Piper species,
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Isidorov, Zenkevich, et al., 1998
Isidorov, V.A.; Zenkevich, I.G.; Dubis, E.N.; Slowikowski, A.; Wojciuk, E.,
Group identification of essential oils components using partition coefficients in a hexane-acetonitrile system,
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Stashenko, Wiame, et al., 1995
Stashenko, E.; Wiame, H.; Dassy, S.; Martinez, J.R.; Shibamoto, T.,
Catalytic transformation of copaiba (Copaifera officinalis) oil over zeolite ZSM-5,
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. [all data]
Notes
Go To: Top, Van Den Dool and Kratz RI, non-polar column, temperature ramp, References
- Symbols used in this document:
Tend Final temperature Tstart Initial temperature - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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