Carotol
- Formula: C15H26O
- Molecular weight: 222.3663
- IUPAC Standard InChI: InChI=1S/C15H26O/c1-11(2)13-7-9-14(4)8-5-12(3)6-10-15(13,14)16/h5,11,13,16H,6-10H2,1-4H3/t13-,14+,15+/m1/s1
- IUPAC Standard InChIKey: XZYQCFABZDVOPN-ILXRZTDVSA-N
- CAS Registry Number: 465-28-1
- 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. - Other names: 3a(1H)-Azulenol, 2,3,4,5,8,8a-hexahydro-6,8a-dimethyl-3-(1-methylethyl)-, [3R-(3α,3aα,8aα)]-; 3aα(1H)-Azulenol, 2,3,4,5,8,8a-hexahydro-3α-isopropyl-6,8aα-dimethyl-, (+)-; (+)-Carotol; Carotol, (+)-; cis-Dauc-8-en-5β-ol; 3-Isopropyl-6,8a-dimethyl-2,3,4,5,8,8a-hexahydro-3a(1H)-azulenol; cis-Dauc-8-en-5β-ol (Carotol)
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- 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 MS | OV-1 | HP-5 | Methyl Silicone | DB-5 |
| Column length (m) | 30. | 30. | 30. | 50. | 30. |
| Carrier gas | Helium | Helium | Helium | Helium | Hydrogen |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.32 | 0.25 | |
| Tstart (C) | 50. | 40. | 60. | 50. | 50. |
| Tend (C) | 180. | 300. | 250. | 240. | 250. |
| Heat rate (K/min) | 2. | 4. | 5. | 3. | 4. |
| Initial hold (min) | 2. | 30. | |||
| Final hold (min) | 10. | ||||
| I | 1594. | 1604. | 1593. | 1595. | 1590. |
| Reference | Phungpanya, Thongpoon, et al., 2012 | Nibret and Wink, 2009 | Yassa and Akhani, 2008 | Ozcan and Chalchat, 2007 | Pontes, de Olivera, 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 | HP-5 | DB-5 | RTX-1 | CP Sil 5 CB |
| Column length (m) | 30. | 30. | 30. | 30. | 30. |
| Carrier gas | He | Helium | He | N2 | |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.32 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.32 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 40. | 60. | 60. | 60. | 60. |
| Tend (C) | 250. | 250. | 260. | 300. | 300. |
| Heat rate (K/min) | 2. | 5. | 3. | 4. | 5. |
| Initial hold (min) | 30. | 4. | |||
| Final hold (min) | 33. | ||||
| I | 1590. | 1593. | 1596. | 1587. | 1587. |
| Reference | Sylvestre, Pichette, et al., 2007 | Yassa and Akhani, 2007 | Javidnia, Miri, et al., 2006 | Kula, Izydorczyk, et al., 2006 | Kurowska and Galazka, 2006 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | HP-5 | RSL-200 | DB-1 | HP-5MS | DB-5 |
| Column length (m) | 25. | 30. | 50. | 30. | 30. |
| Carrier gas | H2 | N2 | He | ||
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.25 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.52 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 50. | 40. | 95. | 50. | 40. |
| Tend (C) | 280. | 280. | 240. | 230. | 210. |
| Heat rate (K/min) | 2.5 | 6. | 4. | 5. | 2. |
| Initial hold (min) | 5. | 2. | 2. | 2. | |
| Final hold (min) | 10. | 10. | 33. | ||
| I | 1594. | 1592. | 1594. | 1574. | 1596. |
| Reference | Wang, Kong, et al., 2006 | Jirovetz, Buchbauer, et al., 2005 | Pala-Paul, Perez-Alonso, et al., 2005 | Li and Jiang, 2004 | Lopez Arze, Collin, et al., 2004 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-5MS | RSL-200 | HP-5 | DB-1 | HP-5 |
| Column length (m) | 30. | 30. | 30. | 50. | 30. |
| Carrier gas | He | H2 | He | N2 | 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 | 0.25 |
| Tstart (C) | 60. | 40. | 60. | 90. | 60. |
| Tend (C) | 280. | 280. | 280. | 240. | 275. |
| Heat rate (K/min) | 3. | 6. | 4. | 4. | 4. |
| Initial hold (min) | 5. | ||||
| Final hold (min) | 30. | 5. | |||
| I | 1573. | 1552. | 1591. | 1560. | 1592. |
| Reference | Marongiu, Porcedda, et al., 2004 | Jirovetz, Buchbauer, et al., 2003 | Sajjadi and Mehregan, 2003 | Velasco-Negueruela, Pérez-Alonso, et al., 2003 | Ghannadi, Sajjadi, et al., 2002 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary |
|---|---|---|
| Active phase | DB-1 | DB-5 |
| Column length (m) | 60. | 30. |
| Carrier gas | N2 | He |
| Substrate | ||
| Column diameter (mm) | 0.25 | 0.32 |
| Phase thickness (μm) | 0.25 | |
| Tstart (C) | 75. | 60. |
| Tend (C) | 220. | 250. |
| Heat rate (K/min) | 4. | 3. |
| Initial hold (min) | 1. | |
| Final hold (min) | 8. | |
| I | 1600. | 1600. |
| Reference | Bailac, Dellacasa, et al., 1999 | Abreu and Noronha, 1997 |
| Comment | 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.
Phungpanya, Thongpoon, et al., 2012
Phungpanya, C.; Thongpoon, C.; Pripdeevech, P.; Machan, T.,
Analysis of aroma volatiles from fresh leaves of Plectranthus amboinicus using solid phase microextraction (SPME) technique, Pure and Applied Chemistry International Conference 2012 (PACCON 2012), 2012, 16701672. [all data]
Nibret and Wink, 2009
Nibret, E.; Wink, M.,
Volatile components of four Ethiopian Artemisia species extracts and their in vitro antipatrypanosomal and cytotoxic activities,
Phytomedicine, 2009, 00, 0, 000-000. [all data]
Yassa and Akhani, 2008
Yassa, N.; Akhani, H.,
The essential oils composition in two species of the genus Eriocycla Lindl. (Apiaceae) from Iran, 2008, retrieved from http://biology.ut.ac.ir/members/akhani/PdfReprintNumber/27.pdf. [all data]
Ozcan and Chalchat, 2007
Ozcan, M.M.; Chalchat, J.C.,
Chemical Composition od Carrot Seeds (Daucus carota L.) Cultivated in Turkey: Characterization of the Seed Oil and Essential Oil,
Grasas y Aceites, 2007, 58, 4, 359-365. [all data]
Pontes, de Olivera, et al., 2007
Pontes, W.J.T.; de Olivera, J.C.G.; da Camara, C.A.G.; Lopes, A.C.H.R.; Gondim Jr.; de Olivera, J.V.; Barros, R.; Schwartz, M.O.E.,
Chemical composition and acaridical activity of the leaf and fruit essential oils of Protium heptaphyllum (Aubl.) Marchand (Burseraceae),
Acta Amazonica, 2007, 37, 1, 103-110, https://doi.org/10.1590/S0044-59672007000100012
. [all data]
Sylvestre, Pichette, et al., 2007
Sylvestre, M.; Pichette, A.; Longtin, A.; Martin, M.-A.C.; Bercion, S.R.; Legault, J.,
Chemical composition of leaf essential oil of Hedyosmum arborescens and evaluation of its anticancer activity,
Natural Product Communications, 2007, 2, 12, 1269-1272. [all data]
Yassa and Akhani, 2007
Yassa, N.; Akhani, H.,
The essential oils composition in two species of the genus Eriocycla Lindl. (Apiaceae) from Iran, 2007, retrieved from http://biology.ut.ac.ir/members/akhani/PdfReprintNumber/27.pdf. [all data]
Javidnia, Miri, et al., 2006
Javidnia, K.; Miri, R.; Kamalinejad, M.; Mehdipour, A.R.,
Composition of the essential oil of Diplotaenia cachrydifolia Boiss. from Iran,
J. Ess. Oil Res., 2006, 18, 1, 86-87, https://doi.org/10.1080/10412905.2006.9699393
. [all data]
Kula, Izydorczyk, et al., 2006
Kula, J.; Izydorczyk, K.; Czajkowska, A.; Bonikowski, R.,
Chemical composition of carrot umbel oils from Daucus carota L. ssp. sativus cultivated in Poland,
Flavour Fragr. J., 2006, 21, 4, 667-669, https://doi.org/10.1002/ffj.1646
. [all data]
Kurowska and Galazka, 2006
Kurowska, A.; Galazka, I.,
Essential oil composition of the parsley seed of cultivars marketed in Poland,
Flavour Fragr. J., 2006, 21, 1, 143-147, https://doi.org/10.1002/ffj.1548
. [all data]
Wang, Kong, et al., 2006
Wang, P.; Kong, C.H.; Zhang, C.X.,
Chemical Composition and Antimicrobial Activity of the Essential Oil from Ambrosia trifida L.,
Molecules, 2006, 11, 7, 549-555, https://doi.org/10.3390/11070549
. [all data]
Jirovetz, Buchbauer, et al., 2005
Jirovetz, L.; Buchbauer, G.; Stoyanova, A.; Georgiev, E.V.; Damianova, S.T.,
Composition, quality control and antimicrobial activity of the essential oil of cumin (Cuminum cyminumL.) seeds from Bulgaria that had been stored for up to 36 years,
Int. J. Food Sci. Technol., 2005, 40, 3, 305-310, https://doi.org/10.1111/j.1365-2621.2004.00915.x
. [all data]
Pala-Paul, Perez-Alonso, et al., 2005
Pala-Paul, J.; Perez-Alonso, M.J.; Velasco-Negueruela, A.; Vadare, J.; Villa, A.M.; Sanz, J.; Brophy, J.J.,
Essential oil composition of the different parts of Eryngium bourgatii Gouan from Spain,
J. Chromatogr. A, 2005, 1074, 1-2, 235-239, https://doi.org/10.1016/j.chroma.2005.03.036
. [all data]
Li and Jiang, 2004
Li, R.; Jiang, Z.-T.,
Chemical composition of the essential oil of Cuminum cyminum L. from China,
Flavour Fragr. J., 2004, 19, 4, 311-313, https://doi.org/10.1002/ffj.1302
. [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]
Marongiu, Porcedda, et al., 2004
Marongiu, B.; Porcedda, A.P.S.; Casu, R.; Pierucci, P.,
Chemical composition of the oil and supercritical CO2 extract of Schinus molle L.,
Flavour Fragr. J., 2004, 19, 6, 554-558, https://doi.org/10.1002/ffj.1350
. [all data]
Jirovetz, Buchbauer, et al., 2003
Jirovetz, L.; Buchbauer, G.; Shafi, M.P.; Leela, N.K.,
Analysis of the essential oils of the leaves, stems, rhizomes and roots of the medicinal plant Alpinia galanga from southern India,
Acta Pharm. Hung., 2003, 53, 73-81. [all data]
Sajjadi and Mehregan, 2003
Sajjadi, S.E.; Mehregan, I.,
Chemical composition of the essential oil of Prangos Asperula Boiss. subsp. haussknechtii (Boiss.) Hernst. et Heyn fruits, 2003, retrieved from http://www1.tums.ac.ir/daru/daru2%2020003/Dr%20Sajadi.PDF. [all data]
Velasco-Negueruela, Pérez-Alonso, et al., 2003
Velasco-Negueruela, A.; Pérez-Alonso, M.J.; Pérez de Paz, P.L.; Palá-Paúl, J.; Sanz, J.,
Analysis by gas chromatography-mass spectrometry of the essential oils from the aerial parts of Rutheopsis herbanica (Bolle) Hans. Kunk., gathered in Fuerteventura (Canary Islands),
J. Chromatogr. A, 2003, 984, 1, 159-162, https://doi.org/10.1016/S0021-9673(02)01742-9
. [all data]
Ghannadi, Sajjadi, et al., 2002
Ghannadi, A.; Sajjadi, S.E.; Beigihasan, A.,
Composition of the essential oil of Ferula ovina (Boiss.) Boiss. from Iran,
DARU, 2002, 10, 4, 165-167, retrieved from http://www1.tums.ac.ir/daru/Daru4%202002/Ghannadi.PDF. [all data]
Bailac, Dellacasa, et al., 1999
Bailac, P.N.; Dellacasa, A.D.; Duschatzky, C.B.; Firpo, N.; Ponzi, M.I.,
Composicion del aceite esencial y actividad antimicrobiana de Aloysia gratissima de San Luis - Argentina,
An. Asoc. Quim. Argent., 1999, 87, 3/4, 149-153. [all data]
Abreu and Noronha, 1997
Abreu, P.M.; Noronha, R.G.,
Volatile constituents of the rhizomes of Aframomum alboviolaceum (Ridley) K. Schum. from Guinea-Bissau,
Flavour Fragr. J., 1997, 12, 2, 79-83, https://doi.org/10.1002/(SICI)1099-1026(199703)12:2<79::AID-FFJ617>3.0.CO;2-7
. [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
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