(3R,3aR,3bR,4S,7R,7aR)-4-Isopropyl-3,7-dimethyloctahydro-1H-cyclopenta[1,3]cyclopropa[1,2]benzen-3-ol
- Formula: C15H26O
- Molecular weight: 222.3663
- IUPAC Standard InChI: InChI=1S/C15H26O/c1-9(2)11-6-5-10(3)15-8-7-14(4,16)13(15)12(11)15/h9-13,16H,5-8H2,1-4H3
- IUPAC Standard InChIKey: KONGRWVLXLWGDV-UHFFFAOYSA-N
- CAS Registry Number: 38230-60-3
- 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. - Species with the same structure:
- Stereoisomers:
- Other names: Epicubebol; Cubebol, epi
- Information on this page:
- Other data available:
- Options:
Normal alkane 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-5 | CP-Sil 5 CB | HP-5 MS | DB-5 | 5 % Phenyl methyl siloxane |
| Column length (m) | 30. | 30. | 30. | 30. | 60. |
| Carrier gas | Hydrogen | Nitrogen | Helium | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.26 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 70. | 50. | 50. | 60. | 90. |
| Tend (C) | 290. | 200. | 230. | 240. | 225. |
| Heat rate (K/min) | 5. | 5. | 3. | 3. | 3. |
| Initial hold (min) | 10. | ||||
| Final hold (min) | 10. | 15. | |||
| I | 1504. | 1500. | 1494. | 1489. | 1493. |
| Reference | Radulovic, Dordevic, et al., 2010 | Hnawia, Menut, et al., 2009 | Adams, Beauchamp, et al., 2007 | Bos, Woerdenbag, et al., 2007 | Gil A., Van Baren C.M., et al., 2007 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | HP-1 | ZB-5 | HP-5MS | DB-5 | CP Sil 5 CB |
| Column length (m) | 30. | 30. | 30. | 30. | 30. |
| Carrier gas | He | He | Helium | N2 | |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.26 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 60. | 60. | 60. | 60. | 50. |
| Tend (C) | 240. | 220. | 280. | 290. | 300. |
| Heat rate (K/min) | 2. | 4. | 3. | 3. | 4. |
| Initial hold (min) | 5. | ||||
| Final hold (min) | 20. | 20. | |||
| I | 1498. | 1495. | 1451. | 1489. | 1482. |
| Reference | Hachicha, Skanji, et al., 2007 | Mohottalage, Tabacchi, et al., 2007 | Tzakou, Bazos, et al., 2007 | Elfami, Komar, et al., 2006 | Lis and Milczarek, 2006 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-5 | DB-1 | DB-5 | HP-5MS | HP-5MS |
| Column length (m) | 25. | 50. | 30. | 30. | 30. |
| Carrier gas | N2 | N2 | Hydrogen | He | |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.2 |
| Phase thickness (μm) | 0.15 | 0.25 | 0.25 | 0.25 | |
| Tstart (C) | 50. | 95. | 70. | 60. | 60. |
| Tend (C) | 200. | 240. | 280. | 200. | 280. |
| Heat rate (K/min) | 4. | 4. | 4. | 4. | 3. |
| Initial hold (min) | 3. | 4. | 30. | ||
| Final hold (min) | |||||
| I | 1488. | 1488. | 1493. | 1487. | 1494. |
| Reference | Ouamba, Ouabonzi, et al., 2006 | Pala-Paul J., Perez-Alonso M.J., et al., 2006 | Pino, Marbot, et al., 2006 | Gauvin and Smadja, 2005 | Petrakis, Roussis, et al., 2005 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-5 | CP Sil 5 CB | DB-1 | DB-5 | CP Sil 5 CB |
| Column length (m) | 30. | 30. | 30. | 30. | 25. |
| Carrier gas | He | N2 | N2 | He | |
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.25 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.39 |
| Tstart (C) | 60. | 50. | 50. | 40. | 60. |
| Tend (C) | 280. | 200. | 200. | 210. | 220. |
| Heat rate (K/min) | 3. | 5. | 5. | 2. | 5. |
| Initial hold (min) | 2. | ||||
| Final hold (min) | 33. | ||||
| I | 1459. | 1488. | 1492. | 1499. | 1490. |
| Reference | Tzakou and Constantinidis, 2005 | Agnaniet, Menut, et al., 2004 | Fekam Boyom, Fotio, et al., 2004 | Lopez Arze, Collin, et al., 2004 | Khanavi, Hadjiakhoondi, et al., 2003 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-5 | HP-5 | DB-1 | HP-5 | 5 % Phenyl methyl siloxane |
| Column length (m) | 30. | 30. | 50. | 30. | 30. |
| Carrier gas | He | Helium | N2 | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.32 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | |
| Tstart (C) | 60. | 70. | 95. | 60. | 75. |
| Tend (C) | 280. | 210. | 240. | 280. | 200. |
| Heat rate (K/min) | 3. | 2. | 4. | 3. | 3. |
| Initial hold (min) | 4. | ||||
| Final hold (min) | 30. | 60. | 8. | ||
| I | 1484. | 1491. | 1487. | 1471. | 1494. |
| Reference | Marongiu, Porcedda, et al., 2003 | Mookdasanit, Tamura, et al., 2003 | Perez-Alonso, Velasco-Negueruela, et al., 2003 | Pitarokili, Tzakou, et al., 2003 | Cicció and Gómez-Laurito, 2002 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | SE-30 | DB-5 | DB-5MS | HP-5 | DB-5MS |
| Column length (m) | 50. | 30. | 30. | 30. | 30. |
| Carrier gas | He | He | N2 | 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) | 70. | 40. | 60. | 60. | 60. |
| Tend (C) | 240. | 210. | 240. | 220. | 240. |
| Heat rate (K/min) | 4. | 2. | 3. | 5. | 3. |
| Initial hold (min) | 2. | 10. | |||
| Final hold (min) | 33. | ||||
| I | 1492. | 1500. | 1493. | 1494. | 1494. |
| Reference | Iñigo, Palá-Paúl, et al., 2002 | Kabouss, Charrouf, et al., 2002 | Maia, Zoghbi, et al., 2002 | Gallori, Flamini, et al., 2001 | Zoghbi, Andrade, et al., 1999 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane 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.
Radulovic, Dordevic, et al., 2010
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Hnawia, Menut, et al., 2009
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Wood essential oil of two endemic trees from New Caledonia: Callitris sulcata (Parl.) Schltr. and Callitris neocaledonica Dummer,
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Adams, Beauchamp, et al., 2007
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New Natural Products Isolated from One-Seeded Juniperus of the Southwestern United States: Isolation and Occurence of 2-Ethenyl-3-methyl Phanol and Its Derivatives,
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Bos, Woerdenbag, et al., 2007
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Essential oil constituents of Piper cubeba L. fils. from Indonesia,
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Gil A., Van Baren C.M., et al., 2007
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Identification of the genotype from the content and composition of the essential oil of lemon verbena (Aloysia citriodora Palau),
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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,
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Mohottalage, Tabacchi, et al., 2007
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Components from Sri Lankan Piper betle L. leaf oil and their analogues showing toxicity against the housefly, Musca domestica,
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Tzakou, Bazos, et al., 2007
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Volatile metabolites of Pistacia atlantica Desf. from Greece,
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Elfami, Komar, et al., 2006
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Lis and Milczarek, 2006
Lis, A.; Milczarek, J.,
Chemical composition of the essential oils from fruits, leaves and flowers of Phellodendron sachalinense (Fr. Schmidt) Sarg.,
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Ouamba, Ouabonzi, et al., 2006
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Volatile constituents of the essential oil leaf of Lantana salvifolia Jacq. (Verbenaceae),
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Pala-Paul J., Perez-Alonso M.J., et al., 2006
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Essential oil composition of Sideritis hirsuta L. from Guadalajara Province, Spain,
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Pino, Marbot, et al., 2006
Pino, J.A.; Marbot, R.; Payo, A.; Chao, D.; Herrera, P.,
Aromatic Plants from Western Cuba VII. Composition of the Leaf Oil of Psidium wrightii KRug et Urb., Lantana involucrata L., Cinnamonum montanum (Sw.) Berchtold et J. Persl. and Caesalpinia violacea (Mill.) Standley,
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Gauvin and Smadja, 2005
Gauvin, A.; Smadja, J.,
Essential oil composition of four Psiadia species from Reunion Island: A chemotaxonomic study,
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Tzakou and Constantinidis, 2005
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Chemotaxonomic significance of volatile compounds in Thymus samius and its related species Thymus atticus and Thymus parnassicus,
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Agnaniet, Menut, et al., 2004
Agnaniet, H.; Menut, C.; Bessière, J.-M.,
Aromatic plants of tropical central Africa. Part XLIX: chemical composition of essential oils of the leaf and rhizome of Aframomum giganteum K. Schum from Gabon,
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Fekam Boyom, Fotio, et al., 2004
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Lopez Arze, Collin, et al., 2004
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Khanavi, Hadjiakhoondi, et al., 2003
Khanavi, M.; Hadjiakhoondi, A.; Shafiee, A.; Masoudi, S.; Rustaiyan, A.,
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Marongiu, Porcedda, et al., 2003
Marongiu, B.; Porcedda, S.; Caredda, A.; de Gioannis, B.; Vargiu, L.; la Colla, P.,
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Mookdasanit, Tamura, et al., 2003
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Trace Volatile Compounds in Essential Oil of Citrus Sudachi by Means of Modified Solvent Extraction Method,
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Perez-Alonso, Velasco-Negueruela, et al., 2003
Perez-Alonso, M.J.; Velasco-Negueruela, A.; Palá-Paúl, J.; Sanz, J.,
Variations in the essential oil composition of Artemisia pedemontana gathered in Spain: chemotype camphor-1,8-cineole and chemotype davanone,
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Pitarokili, Tzakou, et al., 2003
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Cicció and Gómez-Laurito, 2002
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Iñigo, A.; Palá-Paúl, J.; Pérez-Alonso, M.J.; Velasco-Negueruela, A.,
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Kabouss, Charrouf, et al., 2002
Kabouss, A.E.; Charrouf, Z.; Faid, M.; Garneau, F.-X.; Collin, G.,
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Maia, Zoghbi, et al., 2002
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Gallori, Flamini, et al., 2001
Gallori, S.; Flamini, G.; Bilia, A.R.; Morelli, I.; Landini, A.; Vincieri, F.F.,
Chemical composition of some traditional herbal drug preparations: essential oil and aromatic water of costmary (Balsamita suaveolens Pers.),
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Zoghbi, Andrade, et al., 1999
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Volatile constituents from leaves and flowers of Alpinia speciosa K. Schum. and A. purpurata (Viell.) Schum.,
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. [all data]
Notes
Go To: Top, Normal alkane 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
- The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
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