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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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 | DB-Wax | HP-Innowax | CP-Wax 52CB | TC-FFAP | BP-20 |
| Column length (m) | 30. | 30. | 30. | 50. | |
| Carrier gas | Helium | He | He | He | |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.32 | 0.25 | 0.22 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 40. | 60. | 40. | 60. | 60. |
| Tend (C) | 230. | 240. | 220. | 220. | 220. |
| Heat rate (K/min) | 4. | 2. | 3. | 3. | 2. |
| Initial hold (min) | 2. | 1. | |||
| Final hold (min) | 4.5 | 20. | 2. | 30. | 20. |
| I | 2085. | 2043. | 2084. | 2060. | 2066. |
| Reference | Zeng, Xie, et al., 2011 | Hachicha, Skanji, et al., 2007 | Hymete, Rohloff, et al., 2007 | Kurose, Okamura, et al., 2007 | Boti, Yao, et al., 2006 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | NB-20M | Supelcowax-10 | Innowax FSC | TC-Wax | HP-Innowax |
| Column length (m) | 30. | 30. | 60. | 60. | 50. |
| Carrier gas | He | N2 | Helium | He | |
| Substrate | |||||
| Column diameter (mm) | 0.2 | 0.25 | 0.25 | 0.25 | 0.2 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.2 | ||
| Tstart (C) | 50. | 40. | 60. | 80. | 50. |
| Tend (C) | 250. | 230. | 220. | 240. | 220. |
| Heat rate (K/min) | 2. | 2. | 4. | 3. | 4. |
| Initial hold (min) | 10. | 5. | |||
| Final hold (min) | |||||
| I | 2090. | 2097. | 2080. | 2054. | 2034. |
| Reference | Orav, Raal, et al., 2006 | González, Guerra, et al., 2004 | Lourens, Reddy, et al., 2004 | Miyazawa, Teranishi, et al., 2003 | Stashenko, Jaramillo, 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 Innowax FSP | Innowax | DB-Wax | NB-351 |
| Column length (m) | 60. | 60. | 60. | 60. | 25. |
| Carrier gas | He | He | He | He | H2 |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.3 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.5 |
| Tstart (C) | 45. | 60. | 60. | 60. | 70. |
| Tend (C) | 240. | 220. | 220. | 240. | 250. |
| Heat rate (K/min) | 3. | 4. | 5. | ||
| Initial hold (min) | 10. | 10. | 2. | ||
| Final hold (min) | 10. | ||||
| I | 2059. | 2084. | 2080. | 2071. | 2045. |
| Reference | Christoph, 2001 | Kaya, Baser, et al., 1999 | Kaya, Baser, et al., 1999, 2 | Ngassoum, Yonkeu, et al., 1999 | Onocha, Ekundayo, et al., 1999 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | HP-Innowax FSC | Supelcowax-10 | Supelcowax-10 | Supelcowax-10 | DB-Wax |
| Column length (m) | 60. | 30. | 0. | 60. | 30. |
| Carrier gas | He | He | He | ||
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.25 | |||
| Tstart (C) | 60. | 60. | 40. | 40. | 70. |
| Tend (C) | 220. | 240. | 240. | 200. | 200. |
| Heat rate (K/min) | 4. | 4. | 3. | 3. | 4. |
| Initial hold (min) | 10. | 3. | 2. | ||
| Final hold (min) | 10. | 30. | |||
| I | 2088. | 2090. | 2090. | 2090. | 2086. |
| Reference | Tümen, Baser, et al., 1998 | Zunino, Novillo-Newton, et al., 1997 | Zygadlo, Ariza-Espinar, et al., 1997 | Wong and Lai, 1996 | Wyllie, Brophy, et al., 1990 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary |
|---|---|
| Active phase | FFAP |
| Column length (m) | 50. |
| Carrier gas | |
| Substrate | |
| Column diameter (mm) | |
| Phase thickness (μm) | |
| Tstart (C) | 50. |
| Tend (C) | 180. |
| Heat rate (K/min) | 10. |
| Initial hold (min) | 1. |
| Final hold (min) | |
| I | 2080. |
| Reference | Brophy, Davies, et al., 1989 |
| 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.
Zeng, Xie, et al., 2011
Zeng, Z.; Xie, R.; Zhang, T.; Zhang, H.; Chen, J.Y.,
Analysis of volatile compositions of Magnolia biondii Pamp by steam distillation and Headspace solid phase micro-extraction,
J. Oleo Sci., 2011, 60, 12, 591-596, https://doi.org/10.5650/jos.60.591
. [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]
Hymete, Rohloff, et al., 2007
Hymete, A.; Rohloff, J.; Iversen, T.-H.; Kjosen, H.,
Volatile constituents of the roots of Echinops kebericho Mesfin,
Flavour Fragr. J., 2007, 22, 1, 35-38, https://doi.org/10.1002/ffj.1746
. [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]
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]
Orav, Raal, et al., 2006
Orav, A.; Raal, A.; Arak, E.; Müürisepp, M.; Kailas, T.,
Composition of the essential oil of Artemisia absinthium L. of different geographical origin,
Proc. Est. Acad. Sci. Chem., 2006, 55, 3, 155-165. [all data]
González, Guerra, et al., 2004
González, S.; Guerra, P.E.; Bottaro, H.; Molares, S.; Demo, M.S.; Oliva, M.M.; Zunino, M.P.; Zygadlo, J.A.,
Aromatic plants from Patagonia. Part I. Antimicrobial activity and chemical composition of Schinus polygamus (Cav.) Cabrera essential oil,
Flavour Fragr. J., 2004, 19, 1, 36-39, https://doi.org/10.1002/ffj.1270
. [all data]
Lourens, Reddy, et al., 2004
Lourens, A.C.U.; Reddy, D.; Baser, K.H.C.; Viljoen, A.M.; Van Vuuren, S.F.,
In vitro Biological Activity and Essential Oil Composition of Four Indigenous South Africal Helichrysum Species,
J. Ethnopharmacol., 2004, 95, 2-3, 253-258, https://doi.org/10.1016/j.jep.2004.07.027
. [all data]
Miyazawa, Teranishi, et al., 2003
Miyazawa, M.; Teranishi, A.; Ishikawa, Y.,
Components of the essential oil from Petasites japonicus,
Flavour Fragr. J., 2003, 18, 3, 231-233, https://doi.org/10.1002/ffj.1203
. [all data]
Stashenko, Jaramillo, et al., 2003
Stashenko, E.E.; Jaramillo, B.E.; Martínez, J.R.,
Comparación de la composición química y de la actividad antioxidante in vitro de los metabolitos secundarios volátiles de plantas de la familia verbenaceae,
Rev. Acad. Colomb. Cienc. Exactas Fis. Nat., 2003, 27, 105, 579-597. [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]
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]
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]
Zunino, Novillo-Newton, et al., 1997
Zunino, M.P.; Novillo-Newton, M.; Maestri, D.M.; Zygadlo, J.A.,
Composition of the essential oil of Baccharis crispa Spreng. and Baccharis salicifolia Pers. grown in Cordoba (Argentina),
Flavour Fragr. J., 1997, 12, 6, 405-407, https://doi.org/10.1002/(SICI)1099-1026(199711/12)12:6<405::AID-FFJ667>3.0.CO;2-R
. [all data]
Zygadlo, Ariza-Espinar, et al., 1997
Zygadlo, J.A.; Ariza-Espinar, L.; Velasco-Negueruela, A.; Perez-Alonso, M.J.,
Volatile constituents of Stevia achalensis hieronymus,
Flavour Fragr. J., 1997, 12, 4, 297-299, https://doi.org/10.1002/(SICI)1099-1026(199707)12:4<297::AID-FFJ625>3.0.CO;2-2
. [all data]
Wong and Lai, 1996
Wong, K.C.; Lai, F.Y.,
Volatile constituents from the fruits of four Syzygium species grown in Malaysia,
Flavour Fragr. J., 1996, 11, 1, 61-66, https://doi.org/10.1002/(SICI)1099-1026(199601)11:1<61::AID-FFJ539>3.0.CO;2-1
. [all data]
Wyllie, Brophy, et al., 1990
Wyllie, S.G.; Brophy, J.J.; Sarafis, V.; Hobbs, M.,
Volatile Components of the Fruit of Pistacia Lentiscus,
J. Food. Sci., 1990, 55, 5, 1325-1326, https://doi.org/10.1111/j.1365-2621.1990.tb03926.x
. [all data]
Brophy, Davies, et al., 1989
Brophy, J.J.; Davies, N.W.; Southwell, I.A.; Stiff, I.A.; Williams, L.R.,
Gas chromatographic quality control for oil of Melaleuca terpinen-4-ol type (Australian tea tree),
J. Agric. Food Chem., 1989, 37, 5, 1330-1335, https://doi.org/10.1021/jf00089a027
. [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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