Epicubenol
- 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
- IUPAC Standard InChIKey: COGPRPSWSKLKTF-UHFFFAOYSA-N
- CAS Registry Number: 19912-67-5
- Chemical structure:
This structure is also available as a 2d Mol file - Species with the same structure:
- Stereoisomers:
- Other names: (1S,4R,4aS,8aR)-1-Isopropyl-4,7-dimethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalen-4a-ol; 4a(2H)-Naphthalenol, 1,3,4,5,6,8a-hexahydro-4,7-dimethyl-1-(1-methylethyl)-, (1S,4R,4aS,8aR)-; 1β,10βH-Cadin-4-en-1-ol; 4a(2H)-Naphthalenol, 1,3,4,5,6,8a-hexahydro-4,7-dimethyl-1-(1-methylethyl)-, [1S-(1α,4β,4aα,8aα)]-; 1-epi-Cubenol; epi-Cubenol-1; Cubenol (1-epi); epi-α-Cubenol
- Information on this page:
- Other data available:
- Options:
Normal alkane 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 | RTX-Wax | RTX-Wax | HP-Innowax | HP-Innowax | TC-FFAP |
| Column length (m) | 60. | 60. | 30. | 30. | |
| Carrier gas | Helium | He | N2 | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.22 | 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) | 230. | 230. | 240. | 240. | 220. |
| Heat rate (K/min) | 2. | 2. | 5. | 2. | 3. |
| Initial hold (min) | 1. | ||||
| Final hold (min) | 30. | 35. | 4. | 20. | 30. |
| I | 2032. | 2033. | 2081. | 2047. | 2067. |
| Reference | Museli, Pau, et al., 2009 | Paolini, Tomi, et al., 2008 | Cheraif, Ben Jannet, et al., 2007 | Hachicha, Skanji, et al., 2007 | Kurose, Okamura, et al., 2007 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | TC-FFAP | Carbowax | BP-20 | BP-20 | Supelcowax-10 |
| Column length (m) | 60. | 50. | 50. | 30. | |
| Carrier gas | He | He | He | He | |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.22 | 0.22 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 60. | 40. | 60. | 60. | 50. |
| Tend (C) | 220. | 180. | 220. | 220. | 220. |
| Heat rate (K/min) | 3. | 5. | 2. | 2. | 4. |
| Initial hold (min) | 1. | ||||
| Final hold (min) | 30. | 20. | 20. | 10. | |
| I | 2064. | 2035. | 2059. | 2059. | 2060. |
| Reference | Kurose, Okamura, et al., 2007 | Singh, Kumar, et al., 2007 | Boti, Yao, et al., 2006 | Lesueur, Ban, et al., 2006 | Wong, Lim, et al., 2006 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | Innowax | Supelcowax-10 | Supelcowax-10 | DB-Wax | DB-Wax |
| Column length (m) | 50. | 30. | 30. | 60. | 60. |
| Carrier gas | He | He | Helium | ||
| Substrate | |||||
| Column diameter (mm) | 0.2 | 0.25 | 0.25 | 0.25 | 0.32 |
| Phase thickness (μm) | 0.5 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 60. | 40. | 40. | 45. | 50. |
| Tend (C) | 250. | 210. | 210. | 240. | 230. |
| Heat rate (K/min) | 2. | 2. | 2. | 3. | 5. |
| Initial hold (min) | 2. | 2. | 2. | ||
| Final hold (min) | 60. | 33. | 33. | ||
| I | 2031. | 2060. | 2028. | 2062. | 2065. |
| Reference | Bendimerad and Bendiab, 2005 | Lopez Arze, Collin, et al., 2004 | Kabouss, Charrouf, et al., 2002 | Christoph, 2001 | Paniandy, Chane-Ming, et al., 2000 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | HP Innowax FSP | Innowax | DB-Wax | NB-351 | DB-Wax |
| Column length (m) | 60. | 60. | 60. | 25. | 30. |
| Carrier gas | He | He | He | H2 | N2 |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.3 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.5 | 0.25 |
| Tstart (C) | 60. | 60. | 60. | 70. | 45. |
| Tend (C) | 220. | 220. | 240. | 250. | 220. |
| Heat rate (K/min) | 4. | 5. | 3. | ||
| Initial hold (min) | 10. | 10. | 2. | ||
| Final hold (min) | 10. | ||||
| I | 2088. | 2088. | 2078. | 2053. | 2079. |
| Reference | Kaya, Baser, et al., 1999 | Kaya, Baser, et al., 1999, 2 | Ngassoum, Yonkeu, et al., 1999 | Onocha, Ekundayo, et al., 1999 | Molleken U., Sinnwell V., et al., 1998 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary |
|---|---|
| Active phase | HP-Innowax FSC |
| Column length (m) | 60. |
| Carrier gas | He |
| Substrate | |
| Column diameter (mm) | 0.25 |
| Phase thickness (μm) | 0.25 |
| Tstart (C) | 60. |
| Tend (C) | 220. |
| Heat rate (K/min) | 4. |
| Initial hold (min) | 10. |
| Final hold (min) | 10. |
| I | 2088. |
| Reference | Tümen, Baser, et al., 1998 |
| Comment | MSDC-RI |
References
Go To: Top, Normal alkane 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.
Museli, Pau, et al., 2009
Museli, A.; Pau, M.; Desjobert, J.-M.; Foddai, M.; Usai, M.; Costa, J.,
Volatile constituents of Achllea ligustica All. by HS-SPME/GC/GC-MS. Comparison with essential oils obtained by hydrodistillation from Corsica and Sardinia,
Chromatographia, 2009, 69, 5/6, 575-585, https://doi.org/10.1365/s10337-008-0939-1
. [all data]
Paolini, Tomi, et al., 2008
Paolini, J.; Tomi, P.; Bernardini, A.-F.; Bradesi, P.; Casanova, J.; Kaloustian, J.,
Detailed analysis of the essential oil from Cistus albidus L. by combination of GC/RI, GC/MS and 13C-NMR spectroscopy,
N.Z. J. Agric. Res., 2008, 22, 14, 1270-1278. [all data]
Cheraif, Ben Jannet, et al., 2007
Cheraif, I.; Ben Jannet, H.; Hammami, M.; Khouja, M.L.; Mighri, Z.,
Chemical composition and antimicrobial activity of essential oils of Cupressus arizonica Greene,
Biochem. Syst. Ecol., 2007, 35, 12, 813-820, https://doi.org/10.1016/j.bse.2007.05.009
. [all data]
Hachicha, Skanji, et al., 2007
Hachicha, S.F.; Skanji, T.; Barrek, S.; Ghrabi, Z.G.; Zarrouk, H.,
Composition of the essential oil of Teucrium ramosissimum Desf. (Lamiaceae) from Tunisia,
Flavour Fragr. J., 2007, 22, 2, 101-104, https://doi.org/10.1002/ffj.1764
. [all data]
Kurose, Okamura, et al., 2007
Kurose, K.; Okamura, D.; Yatagai, M.,
Composition of the essential oils from the leaves of nine Pinus species and the cones of three of Pinus species,
Flavour Fragr. J., 2007, 22, 1, 10-20, https://doi.org/10.1002/ffj.1609
. [all data]
Singh, Kumar, et al., 2007
Singh, B.; Kumar, R.; Bhandari, S.; Pathania, S.; Lal, B.,
Volatile constituents of natural Boswellia serrata oleo-gum-resin and commercial samples,
Flavour Fragr. J., 2007, 22, 2, 145-147, https://doi.org/10.1002/ffj.1772
. [all data]
Boti, Yao, et al., 2006
Boti, J.B.; Yao, P.A.; Koukoua, G.; N'Guessan, T.Y.; Casanova, J.,
Components and chemical variability of Isolona campanulata Engler Diels leaf oil,
Flavour Fragr. J., 2006, 21, 1, 166-170, https://doi.org/10.1002/ffj.1555
. [all data]
Lesueur, Ban, et al., 2006
Lesueur, D.; Ban, N.K.; Bighelli, A.; Muselli, A.; Casanova, J.,
Analysis of the root oil of Fokienia hodginsii (Dunn) Henry et Thomas (Cupressaceae) by GC, GC-MS and 13C-NMR,
Flavour Fragr. J., 2006, 21, 1, 171-174, https://doi.org/10.1002/ffj.1557
. [all data]
Wong, Lim, et al., 2006
Wong, K.C.; Lim, T.B.; Ali, D.M.H.,
Essential oil of Homalomena sagittifolia Jungh.,
Flavour Fragr. J., 2006, 21, 5, 786-788, https://doi.org/10.1002/ffj.1714
. [all data]
Bendimerad and Bendiab, 2005
Bendimerad, N.; Bendiab, S.A.T.,
Composition and antibacterial activity of Pseudocytisus integrifolius (Salisb.) essential oil from Algeria,
J. Agric. Food Chem., 2005, 53, 8, 2947-2952, https://doi.org/10.1021/jf047937u
. [all data]
Lopez Arze, Collin, et al., 2004
Lopez Arze, J.B.; Collin, G.; Garneau, F.-X.; Jean, F.-I.; Gagnon, H.,
Essential oils from Bolivia. II. Asteraceae: Ophryosporus heptanthus (Wedd.) H. Rob. et King,
J. Essent. Oil Res., 2004, 16, 4, 374-376, https://doi.org/10.1080/10412905.2004.9698747
. [all data]
Kabouss, Charrouf, et al., 2002
Kabouss, A.E.; Charrouf, Z.; Faid, M.; Garneau, F.-X.; Collin, G.,
Chemical composition and antimicrobial activity of the leaf essential oil of Argania spinosa L. Skeels,
J. Essent. Oil Res., 2002, 14, 2, 147-149, https://doi.org/10.1080/10412905.2002.9699801
. [all data]
Christoph, 2001
Christoph, F.,
Chemische Zuzammensetzung und antimikrobielle Eigenschaften der ätherischen Öle von Leptospermum scoparium J. R. et G. Forst. und anderer Teebaumöle der Gattungen Kunzea, Leptospermum und Melaleuca unter besonderer Berücksichtigung von Handelsölen, Dissertation, University of Hamburg, Germany, 2001, 196. [all data]
Paniandy, Chane-Ming, et al., 2000
Paniandy, J.-C.; Chane-Ming, J.; Pierbattesti, J.-C.,
Chemical Composition of the Essential Oil and Headspace Solid-Phase Microextraction of the Guava Fruit (Psidium guajava L.),
J. Essent. Oil Res., 2000, 12, 153-158. [all data]
Kaya, Baser, et al., 1999
Kaya, A.; Baser, K.H.C.; Koca, F.,
Essential oils of Acinos troodi (Post) Leblebici subsp. vardaranus Leblebici and subsp. grandiflorus Hartvig Strid,
Flavour Fragr. J., 1999, 14, 1, 50-54, https://doi.org/10.1002/(SICI)1099-1026(199901/02)14:1<50::AID-FFJ783>3.0.CO;2-7
. [all data]
Kaya, Baser, et al., 1999, 2
Kaya, A.; Baser, K.H.C.; Demirci, B.; Koca, F.,
The essential oil of Acinos alpinus (L.) Moench growing in Turkey,
Flavour Fragr. J., 1999, 14, 1, 55-59, https://doi.org/10.1002/(SICI)1099-1026(199901/02)14:1<55::AID-FFJ784>3.0.CO;2-Q
. [all data]
Ngassoum, Yonkeu, et al., 1999
Ngassoum, M.B.; Yonkeu, S.; Jirovetz, L.; Buchbauer, G.; Schmaus, G.; Hammerschmidt, F.-J.H.,
Chemical composition of essential oils of Lantana camara leaves and flowers from Cameroon and Madagascar,
Flavour Fragr. J., 1999, 14, 4, 245-250, https://doi.org/10.1002/(SICI)1099-1026(199907/08)14:4<245::AID-FFJ819>3.0.CO;2-X
. [all data]
Onocha, Ekundayo, et al., 1999
Onocha, P.A.; Ekundayo, O.; Oyelola, O.; Laakso, I.,
Essential oils of Dacryodes edulis (G. Don) H. J. Lam (African pear),
Flavour Fragr. J., 1999, 14, 2, 135-139, https://doi.org/10.1002/(SICI)1099-1026(199903/04)14:2<135::AID-FFJ788>3.0.CO;2-L
. [all data]
Molleken U., Sinnwell V., et al., 1998
Molleken U.; Sinnwell V.; Kubeczka K.H.,
TThe essential oil composition of fruits from Smyrnium perfoliatum,
Phytochemistry, 1998, 47, 6, 1079-1083, https://doi.org/10.1016/S0031-9422(98)80076-9
. [all data]
Tümen, Baser, et al., 1998
Tümen, G.; Baser, K.H.C.; Demirci, B.; Ermin, N.,
The essential oils of Satureja coerulea Janka and Thymus aznavourii Velen.,
Flavour Fragr. J., 1998, 13, 1, 65-67, https://doi.org/10.1002/(SICI)1099-1026(199801/02)13:1<65::AID-FFJ695>3.0.CO;2-Q
. [all data]
Notes
Go To: Top, Normal alkane RI, 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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