Cubenol
- Formula: C15H26O
- Molecular weight: 222.3663
- IUPAC Standard InChI: InChI=1S/C15H26O/c1-10(2)13-6-5-12(4)15(16)8-7-11(3)9-14(13)15/h9-10,12-14,16H,5-8H2,1-4H3/t12-,13+,14+,15-/m0/s1
- IUPAC Standard InChIKey: COGPRPSWSKLKTF-YJNKXOJESA-N
- CAS Registry Number: 21284-22-0
- 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: 1-Isopropyl-4,7-dimethyl-1,3,4,5,6,8a-hexahydro-4a(2H)-naphthalenol-, [1S-(1α,4β,4aβ,8aα)]-; (-)-Cubenol; 10βH-Cadin-4-en-1-ol
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- Information on this page:
- Other data available:
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Kovats' 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 | DB-5 | BP-1 | DB-5MS | BP-1 | DB-5 |
| Column length (m) | 30. | 30. | 30. | 25. | 25. |
| Carrier gas | He | N2 | He | N2 | He |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.32 | 0.25 | 0.55 | 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. | 240. | 220. | 240. | |
| Heat rate (K/min) | 3. | 5. | 3. | 5. | 3. |
| Initial hold (min) | |||||
| Final hold (min) | 3. | 15. | |||
| I | 1643. | 1610. | 1642. | 1611. | 1644. |
| Reference | Lucero, Fredrickson, et al., 2006 | Srivastava, Srivastava, et al., 2006 | Palmeira, Moura, et al., 2004 | Srivastava, Ahmad, et al., 2003 | El-Ghorab, Fadel, et al., 2002 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | BP-1 | HP-5 | SE-54 | DB-5 | SE-54 |
| Column length (m) | 25. | 30. | 30. | 30. | 30. |
| Carrier gas | N2 | He | He | He | |
| Substrate | |||||
| Column diameter (mm) | 0.55 | 0.25 | 0.26 | 0.26 | 0.26 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 60. | 60. | 60. | 60. | 60. |
| Tend (C) | 220. | 280. | 246. | 240. | 246. |
| Heat rate (K/min) | 5. | 3. | 3. | 3. | 3. |
| Initial hold (min) | |||||
| Final hold (min) | 15. | ||||
| I | 1611. | 1640. | 1642. | 1642. | 1642. |
| Reference | Jain, Srivastava, et al., 2001 | Tzakou and Couladis, 2001 | Adams, 2000 | Adams, 2000, 2 | Adams, 2000, 3 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-5 | HP-5MS | DB-5 | SPB-1 | DB-5 |
| Column length (m) | 30. | 30. | 30. | 30. | 30. |
| Carrier gas | He | He | He | He | |
| Substrate | |||||
| Column diameter (mm) | 0.26 | 0.25 | 0.26 | 0.32 | |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | |
| Tstart (C) | 60. | 60. | 60. | 60. | 40. |
| Tend (C) | 246. | 280. | 246. | 250. | 210. |
| Heat rate (K/min) | 3. | 3. | 3. | 5. | 2. |
| Initial hold (min) | 2. | 2. | |||
| Final hold (min) | 5. | 120. | |||
| I | 1642. | 1643. | 1642. | 1616. | 1628. |
| Reference | Adams, 2000, 4 | Roussis, Tsoukatou, et al., 2000 | Adams, 1999 | Jayaprakasha, Jaganmohan Rao, et al., 1997 | Loayza, Abujder, et al., 1995 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-5 | DB-5 | DB-5 | OV-101 | BP-1 |
| Column length (m) | 30. | 30. | 30. | 25. | 50. |
| Carrier gas | H2 | ||||
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.33 | |||
| Phase thickness (μm) | |||||
| Tstart (C) | 40. | 40. | 40. | 50. | 65. |
| Tend (C) | 210. | 210. | 210. | 200. | 220. |
| Heat rate (K/min) | 2. | 2. | 2. | 5. | 5. |
| Initial hold (min) | 2. | 2. | 2. | 2. | |
| Final hold (min) | 120. | 120. | 120. | ||
| I | 1628. | 1594. | 1628. | 1617. | 1645. |
| Reference | Loayza, Abujder, et al., 1995 | Loayza, Abujder, et al., 1995 | Loayza, Abujder, et al., 1995 | Menut, Lamaty, et al., 1995 | Ekundayo, Laakso, et al., 1988 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Kovats' 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.
Lucero, Fredrickson, et al., 2006
Lucero, M.E.; Fredrickson, E.L.; Estell, R.E.; Morrison, A.A.; Richman, D.B.,
Volatile Composition of Gutierrezia sarothrae (Broom Snakeweed) as Determined by Steam Distillation and Solid Phase Microextraction,
J. Essent. Oil Res., 2006, 18, 2, 121-125, https://doi.org/10.1080/10412905.2006.9699039
. [all data]
Srivastava, Srivastava, et al., 2006
Srivastava, A.K.; Srivastava, S.K.; Syamsundar, K.V.,
Volatile composition of Curcuma angustifolia Roxb. rhizome from central and southern India,
Flavour Fragr. J., 2006, 21, 3, 423-426, https://doi.org/10.1002/ffj.1680
. [all data]
Palmeira, Moura, et al., 2004
Palmeira, S.F., Jr.; Moura, F.S.; Alves, V.L.; de Oliveira, F.M.; Bento, E.S.; Conserva, L.M.; Andrade, E.H.A.,
Neutral components from hexane extracts of Croton sellowii,
Flavour Fragr. J., 2004, 19, 1, 69-71, https://doi.org/10.1002/ffj.1298
. [all data]
Srivastava, Ahmad, et al., 2003
Srivastava, S.K.; Ahmad, A.; Syamsunder, K.V.; Aggarwal, K.K.; Shanuja, S.P.S.,
Essential oil composition of Callistemon viminalis leaves from India,
Flavour Fragr. J., 2003, 18, 5, 361-363, https://doi.org/10.1002/ffj.1143
. [all data]
El-Ghorab, Fadel, et al., 2002
El-Ghorab, A.H.; Fadel, H.M.; El-Massry, K.F.,
The Egyptian Eucalyptus camaldulensis var. brevirostris: chemical compositions of the fruit volatile oil and antioxidant activity,
Flavour Fragr. J., 2002, 17, 4, 306-312, https://doi.org/10.1002/ffj.1085
. [all data]
Jain, Srivastava, et al., 2001
Jain, N.; Srivastava, S.K.; Aggarwal, K.K.; Ramesh, S.; Kumar, S.,
Essential oil composition of Zanthoxylum alatum seeds from northern India,
Flavour Fragr. J., 2001, 16, 6, 408-410, https://doi.org/10.1002/ffj.1024
. [all data]
Tzakou and Couladis, 2001
Tzakou, O.; Couladis, M.,
The essential oil of Micromeria graeca (L.) Bentham et Reichenb. growing in Greece,
Flavour Fragr. J., 2001, 16, 2, 107-109, https://doi.org/10.1002/ffj.955
. [all data]
Adams, 2000
Adams, R.P.,
Systematics of smooth leaf margin Juniperus of the western hemisphere based on leaf essential oils and RAPD DNA fingerprinting,
Biochem. Syst. Ecol., 2000, 28, 2, 149-162, https://doi.org/10.1016/S0305-1978(99)00047-2
. [all data]
Adams, 2000, 2
Adams, R.P.,
Systematics of Juniperus section Juniperus based on leaf essential oils and random amplified polymorphic DNAs (RAPDs),
Biochem. Syst. Ecol., 2000, 28, 6, 515-528, https://doi.org/10.1016/S0305-1978(99)00089-7
. [all data]
Adams, 2000, 3
Adams, R.P.,
Systematics of the one seeded Juniperus of the eastern hemisphere based on leaf essential oils and random amplified polymorphic DNAs (RAPDs),
Biochem. Syst. Ecol., 2000, 28, 6, 529-543, https://doi.org/10.1016/S0305-1978(99)00096-4
. [all data]
Adams, 2000, 4
Adams, R.P.,
The serrate leaf margined Juniperus (Section Sabina) of the western hemisphere: systematics and evolution based on leaf essential oils and Random Amplified Polymorphic DNAs (RAPDs),
Biochem. Syst. Ecol., 2000, 28, 10, 975-989, https://doi.org/10.1016/S0305-1978(00)00022-3
. [all data]
Roussis, Tsoukatou, et al., 2000
Roussis, V.; Tsoukatou, M.; Petrakis, P.V.; Chinou, I.; Skoula, M.; Harborne, J.B.,
Volatile constituents of four Helichrysum species growing in Greece,
Biochem. Syst. Ecol., 2000, 28, 2, 163-175, https://doi.org/10.1016/S0305-1978(99)00046-0
. [all data]
Adams, 1999
Adams, R.P.,
Systematics of multi-seeded eastern hemisphere Juniperus based on leaf essential oils and RAPD DNA fingerprinting,
Biochem. Syst. Ecol., 1999, 27, 7, 709-725, https://doi.org/10.1016/S0305-1978(99)00016-2
. [all data]
Jayaprakasha, Jaganmohan Rao, et al., 1997
Jayaprakasha, G.K.; Jaganmohan Rao, L.; Sakariah, K.K.,
Chemical composition of the volatile oil from the fruits of Cinnamomum zeylanicum blume,
Flavour Fragr. J., 1997, 12, 5, 331-333, https://doi.org/10.1002/(SICI)1099-1026(199709/10)12:5<331::AID-FFJ663>3.0.CO;2-X
. [all data]
Loayza, Abujder, et al., 1995
Loayza, I.; Abujder, D.; Aranda, R.; Jakupovic, J.; Collin, G.; Deslauriers, H.; Jean, F.-I.,
Essential oils of Baccharis salicifolia, B. latifolia and B. dracunculifolia,
Phytochemistry, 1995, 38, 2, 381-389, https://doi.org/10.1016/0031-9422(94)00628-7
. [all data]
Menut, Lamaty, et al., 1995
Menut, C.; Lamaty, G.; Bessiere, J.-M.; Seuleiman, A.M.; Fendero, P.; Maidou, E.; Denamganai, J.,
Aromatic Plants of Tropical Central Africa. XXI. Chemical Composition of Bark Essential Oil of Guarea cedrata (A. Chev.) Pellegr. from Central African Republic,
J. Essent. Oil Res., 1995, 7, 2, 207-209, https://doi.org/10.1080/10412905.1995.9698502
. [all data]
Ekundayo, Laakso, et al., 1988
Ekundayo, O.; Laakso, I.; Adegbola, R.-M.; Oguntimein, B.; Sofowora, A.; Hiltunen, R.,
Essential oil constituents of Ashanti pepper (Piper guineense) fruits (berries),
J. Agric. Food Chem., 1988, 36, 5, 880-882, https://doi.org/10.1021/jf00083a001
. [all data]
Notes
Go To: Top, Kovats' 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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