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:
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Mass spectrum (electron ionization)
Go To: Top, Gas Chromatography, 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
Spectrum
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Additional Data
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Due to licensing restrictions, this spectrum cannot be downloaded.
| Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
|---|---|
| Origin | R RYHAGE MS-LAB KAROLINSKA INSTITUTET STOCKHOLM SWEDEN |
| NIST MS number | 42544 |
Gas Chromatography
Go To: Top, Mass spectrum (electron ionization), 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
Kovats' RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-5 | 1597. | Moreira, Sousa, et al., 2001 | H2, 3. K/min; Column length: 30. m; Column diameter: 0.20 mm; Tstart: 60. C; Tend: 240. C |
Kovats' RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | CP Sil 8 CB | 1603. | Radusiene, Judzentiene, et al., 2005 | 50. m/0.32 mm/0.25 μm, He; Program: 60C(1min) => 3C/min => 70C => 15C/min => 170C(8min) => 5C/min => 250C |
| Capillary | DB-5 | 1594. | Moreira, Sousa, et al., 2001 | H2; Column length: 30. m; Column diameter: 0.20 mm; Program: not specified |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-5 | 1598. | Flamini, Cioni, et al., 2007 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 240. C |
| Capillary | HP-5MS | 1594. | Grujic-Jovanovic, Skaltsa, et al., 2004 | 30. m/0.25 mm/0.25 μm, He, 60. C @ 5. min, 4. K/min; Tend: 280. C |
| Capillary | HP-5 | 1594. | Skaltsa, Demetzos, et al., 2003 | 30. m/0.25 mm/0.25 μm, He, 60. C @ 5. min, 4. K/min; Tend: 280. C |
| Capillary | HP-5MS | 1596. | Afsharypuor and Suleimany, 2002 | 30. m/0.25 mm/0.25 μm, He, 4. K/min; Tstart: 60. C; Tend: 275. C |
| Capillary | BP-1 | 1594. | Mazzoni, Tomi, et al., 1999 | 50. m/0.22 mm/0.25 μm, He, 2. K/min, 220. C @ 20. min; Tstart: 60. C |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5MS | 1612.3 | Andriamaharavo, 2014 | 30. m/0.25 mm/0.25 μm, He; Program: 60C (1 min) => 5 C/min => 210C => 10 C/min => 280C (15 min) |
Van Den Dool and Kratz RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | BP-20 | 2019. | Mazzoni, Tomi, et al., 1999 | 50. m/0.22 mm/0.25 μm, He, 2. K/min, 220. C @ 20. min; Tstart: 60. C |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5 MS | 1594. | Phungpanya, Thongpoon, et al., 2012 | 30. m/0.25 mm/0.25 μm, Helium, 2. K/min; Tstart: 50. C; Tend: 180. C |
| Capillary | OV-1 | 1604. | Nibret and Wink, 2009 | 30. m/0.25 mm/0.25 μm, Helium, 40. C @ 2. min, 4. K/min, 300. C @ 10. min |
| Capillary | HP-5 | 1593. | Yassa and Akhani, 2008 | 30. m/0.25 mm/0.32 μm, Helium, 60. C @ 30. min, 5. K/min; Tend: 250. C |
| Capillary | Methyl Silicone | 1595. | Ozcan and Chalchat, 2007 | Helium, 3. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tstart: 50. C; Tend: 240. C |
| Capillary | DB-5 | 1590. | Pontes, de Olivera, et al., 2007 | 30. m/0.25 mm/0.25 μm, Hydrogen, 4. K/min; Tstart: 50. C; Tend: 250. C |
| Capillary | DB-5 | 1590. | Sylvestre, Pichette, et al., 2007 | 30. m/0.25 mm/0.25 μm, 2. K/min, 250. C @ 33. min; Tstart: 40. C |
| Capillary | HP-5 | 1593. | Yassa and Akhani, 2007 | 30. m/0.25 mm/0.32 μm, He, 60. C @ 30. min, 5. K/min; Tend: 250. C |
| Capillary | DB-5 | 1596. | Javidnia, Miri, et al., 2006 | 30. m/0.25 mm/0.25 μm, Helium, 3. K/min; Tstart: 60. C; Tend: 260. C |
| Capillary | RTX-1 | 1587. | Kula, Izydorczyk, et al., 2006 | 30. m/0.32 mm/0.25 μm, He, 4. K/min; Tstart: 60. C; Tend: 300. C |
| Capillary | CP Sil 5 CB | 1587. | Kurowska and Galazka, 2006 | 30. m/0.25 mm/0.25 μm, N2, 60. C @ 4. min, 5. K/min; Tend: 300. C |
| Capillary | HP-5 | 1594. | Wang, Kong, et al., 2006 | 25. m/0.32 mm/0.52 μm, H2, 50. C @ 5. min, 2.5 K/min; Tend: 280. C |
| Capillary | RSL-200 | 1592. | Jirovetz, Buchbauer, et al., 2005 | 30. m/0.25 mm/0.25 μm, 40. C @ 2. min, 6. K/min, 280. C @ 10. min |
| Capillary | DB-1 | 1594. | Pala-Paul, Perez-Alonso, et al., 2005 | 50. m/0.25 mm/0.25 μm, N2, 4. K/min; Tstart: 95. C; Tend: 240. C |
| Capillary | HP-5MS | 1574. | Li and Jiang, 2004 | 30. m/0.25 mm/0.25 μm, He, 50. C @ 2. min, 5. K/min, 230. C @ 10. min |
| Capillary | DB-5 | 1596. | Lopez Arze, Collin, et al., 2004 | 30. m/0.25 mm/0.25 μm, 40. C @ 2. min, 2. K/min, 210. C @ 33. min |
| Capillary | DB-5MS | 1573. | Marongiu, Porcedda, et al., 2004 | 30. m/0.25 mm/0.25 μm, He, 3. K/min, 280. C @ 30. min; Tstart: 60. C |
| Capillary | RSL-200 | 1552. | Jirovetz, Buchbauer, et al., 2003 | 30. m/0.32 mm/0.25 μm, H2, 40. C @ 5. min, 6. K/min, 280. C @ 5. min |
| Capillary | HP-5 | 1591. | Sajjadi and Mehregan, 2003 | 30. m/0.25 mm/0.25 μm, He, 4. K/min; Tstart: 60. C; Tend: 280. C |
| Capillary | DB-1 | 1560. | Velasco-Negueruela, Pérez-Alonso, et al., 2003 | 50. m/0.25 mm/0.25 μm, N2, 4. K/min; Tstart: 90. C; Tend: 240. C |
| Capillary | HP-5 | 1592. | Ghannadi, Sajjadi, et al., 2002 | 30. m/0.25 mm/0.25 μm, He, 4. K/min; Tstart: 60. C; Tend: 275. C |
| Capillary | DB-1 | 1600. | Bailac, Dellacasa, et al., 1999 | 60. m/0.25 mm/0.25 μm, N2, 75. C @ 1. min, 4. K/min, 220. C @ 8. min |
| Capillary | DB-5 | 1600. | Abreu and Noronha, 1997 | He, 3. K/min; Column length: 30. m; Column diameter: 0.32 mm; Tstart: 60. C; Tend: 250. C |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-1 | 1568. | Mendes, Trindade, et al., 2009 | 30. m/0.25 mm/0.25 μm, Hydrogen; Program: 45 0C 3 0C/min -> 175 0C 15 0C/min -> 300 0C (10 min) |
| Capillary | DB-5 | 1594. | Pontes, de Olivera, et al., 2007 | 30. m/0.25 mm/0.25 μm, Hydrogen; Program: not specified |
| Capillary | BP-5 | 1614. | Eyres, Dufour, et al., 2005 | 25. m/0.32 mm/0.50 μm, Helium; Program: 60 0C 6 0C/min -> 210 0C 10 0C/min -> 290 0C (10 min) |
| Capillary | BP-5 | 1595. | Eyres, Dufour, et al., 2005 | 25. m/0.32 mm/0.50 μm, Helium; Program: not specified |
Normal alkane RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Supelcowax-10 | 2011. | Sylvestre, Pichette, et al., 2007 | 30. m/0.25 mm/0.25 μm, 2. K/min, 250. C @ 33. min; Tstart: 40. C |
| Capillary | Supelcowax-10 | 2019. | Lopez Arze, Collin, et al., 2004 | 30. m/0.25 mm/0.25 μm, 40. C @ 2. min, 2. K/min, 210. C @ 33. min |
| Capillary | TC-Wax | 2033. | Miyazawa, Kurose, et al., 2001 | He, 4. K/min, 250. C @ 47. min; Column length: 60. m; Column diameter: 0.25 mm; Tstart: 80. C |
| Capillary | DB-Wax | 2024. | Abreu and Noronha, 1997 | He, 3. K/min; Column length: 30. m; Column diameter: 0.32 mm; Tstart: 60. C; Tend: 250. C |
Normal alkane RI, polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Innowax FSC | 2045. | Demirci, Temel, et al., 2011 | 60. m/0.25 mm/0.25 μm, Helium; Program: 60 0C (10 min) 4 0C/min -> 220 0C (10 min) 1 0C/min -> 240 0C |
| Capillary | HP Innowax FSP | 2045. | Tabanca N., Demirci B., et al., 2007 | 60. m/0.25 mm/0.25 μm, N2; Program: 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C |
| Capillary | HP-Innowax FSC | 2045. | Kürkçüoglu, Hüsnü Can Baser, et al., 2006 | 60. m/0.25 mm/0.25 μm, He; Program: 60C(10min) => 4C/min => 220C (10min) => 1C/min => 240C |
| Capillary | Innowax FSC | 2045. | Tosun, Kürkcüoglu, et al., 2006 | 60. m/0.25 mm/0.25 μm, He; Program: 60C(10min) => 4C/min => 220C (10min) => 1C/min => 240C |
| Capillary | DB-Wax | 2026. | Pala-Paul, Perez-Alonso, et al., 2005 | N2; Program: not specified |
| Capillary | HP-Innowax FSC | 2045. | Kaya, Demirci, et al., 2001 | 60. m/0.25 mm/0.25 μm; Program: 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C |
| Capillary | FFAP | 2014. | Reddy, Angers, et al., 1998 | 25. m/0.2 mm/0.33 μm, H2; Program: 40C(5min) => 4C/min => 170C => 8C/min => 240C (12min) |
References
Go To: Top, Mass spectrum (electron ionization), Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Moreira, Sousa, et al., 2001
Moreira, D.L.; Sousa, P.O.; Pereira, N.A.; Cardoso, G.L.,
Effect of leaf essential oil from Piper solmsianum C.DC. in mice behaviour,
An. Acad. Bras. Cienc., 2001, 73, 1, 1-7, https://doi.org/10.1590/S0001-37652001000100004
. [all data]
Radusiene, Judzentiene, et al., 2005
Radusiene, J.; Judzentiene, A.; Bernotiene, G.,
Essential oil composition and variability of Hypericum perforatum L. growing in Lithuania,
Biochem. Syst. Ecol., 2005, 33, 2, 113-124, https://doi.org/10.1016/j.bse.2004.06.010
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Flamini, Cioni, et al., 2007
Flamini, G.; Cioni, P.L.; Morelli, I.; Bader, A.,
Essential oils of the aerial parts of three Salvia species from Jordan: Salvia lanigera, S. spinosa and S. syriaca,
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Grujic-Jovanovic, Skaltsa, et al., 2004
Grujic-Jovanovic, S.; Skaltsa, H.D.; Marin, P.; Sokovic, M.,
Composition and antibacterial activity of the essential oil of six Stachys species from Serbia,
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Skaltsa, Demetzos, et al., 2003
Skaltsa, H.D.; Demetzos, C.; Lazari, D.; Sokovic, M.,
Essential oil analysis and antimicrobial activity of eight Stachys species from Greece,
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Afsharypuor and Suleimany, 2002
Afsharypuor, S.; Suleimany, M.,
Volatile oil constituents of Brassica oleracea var. gongylodes seeds,
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Mazzoni, Tomi, et al., 1999
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A daucane-type sesquiterpene from Faucus carota seed oil,
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Phungpanya, Thongpoon, et al., 2012
Phungpanya, C.; Thongpoon, C.; Pripdeevech, P.; Machan, T.,
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Nibret and Wink, 2009
Nibret, E.; Wink, M.,
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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,
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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),
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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.,
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Kula, Izydorczyk, et al., 2006
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Chemical composition of carrot umbel oils from Daucus carota L. ssp. sativus cultivated in Poland,
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Kurowska and Galazka, 2006
Kurowska, A.; Galazka, I.,
Essential oil composition of the parsley seed of cultivars marketed in Poland,
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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.,
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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,
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Pala-Paul, Perez-Alonso, et al., 2005
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Li and Jiang, 2004
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Chemical composition of the essential oil of Cuminum cyminum L. from China,
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Lopez Arze, Collin, et al., 2004
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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.,
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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,
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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]
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Velasco-Negueruela, A.; Pérez-Alonso, M.J.; Pérez de Paz, P.L.; Palá-Paúl, J.; Sanz, J.,
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Ghannadi, Sajjadi, et al., 2002
Ghannadi, A.; Sajjadi, S.E.; Beigihasan, A.,
Composition of the essential oil of Ferula ovina (Boiss.) Boiss. from Iran,
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Bailac, P.N.; Dellacasa, A.D.; Duschatzky, C.B.; Firpo, N.; Ponzi, M.I.,
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Abreu and Noronha, 1997
Abreu, P.M.; Noronha, R.G.,
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Mendes, Trindade, et al., 2009
Mendes, M.D.; Trindade, H.; Figueiredo, A.C.; Barroso, J.G.; Fontinha, S.S.; Pedro, L.G.,
Volatile and molecular characterization of two Portuguese endemic species: Angelica lignescens and Melanoselinium decipiens,
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Eyres, Dufour, et al., 2005
Eyres, G.; Dufour, J.-P.; Hallifax, G.; Sotheeswaran, S.; Marriott, P.J.,
Identification of character-impact odorants in coriander and wild coriander leaves using gas chromatography-olfactometry (GCO) and comprehensive two-dimensional gas chromatography-time-of-flight mass spectrometry (GC×GC-TOFMS),
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. [all data]
Miyazawa, Kurose, et al., 2001
Miyazawa, M.; Kurose, K.; Itoh, A.; Hiraoka, N.,
Comparison of the essential oils of Glehnia littoralis from Northern and Southern Japan,
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. [all data]
Demirci, Temel, et al., 2011
Demirci, B.; Temel, H.E.; Portakai, T.; Kirmizibekmez, H.; Demirci, F.; Baser, K.H.C.,
Inhibitory effect of Calamintha neleta subsp. glandulosa essential oil on lipoxygenase,
Turk. J. Biochem., 2011, 36, 4, 290-295. [all data]
Tabanca N., Demirci B., et al., 2007
Tabanca N.; Demirci B.; Crockett S.L.; Baser K.H.C.; Wedge D.E.,
Chemical composition and antifungal activity of Arnica longifolia, Aster hesperius, and Chrysothamnus nauseosus essential oils,
J. Agric. Food Chem., 2007, 55, 21, 8430-8435, https://doi.org/10.1021/jf071379c
. [all data]
Kürkçüoglu, Hüsnü Can Baser, et al., 2006
Kürkçüoglu, M.; Hüsnü Can Baser, K.; Iscan, G.; Malyer, H.; Kaynak, G.,
Composition and anticandidal activity of the essential oil of Chaerophyllum byzantinum Boiss.,
Flavour Fragr. J., 2006, 21, 1, 115-117, https://doi.org/10.1002/ffj.1539
. [all data]
Tosun, Kürkcüoglu, et al., 2006
Tosun, A.; Kürkcüoglu, M.; Dogan, E.; Duman, H.; Baser, K.H.C.,
Essential oil composition of Seseli petraeum M. Bieb. and Seseli andronakii Woron. growing in Turkey,
Flavour Fragr. J., 2006, 21, 2, 257-259, https://doi.org/10.1002/ffj.1572
. [all data]
Kaya, Demirci, et al., 2001
Kaya, A.; Demirci, B.; Baser, K.H.C.,
The composition of the essential oil of Stachys iberica subsp. stenostachya growing in Turkey,
Chem. Nat. Compd. (Engl. Transl.), 2001, 37, 4, 326-328, https://doi.org/10.1023/A:1013762200024
. [all data]
Reddy, Angers, et al., 1998
Reddy, M.V.B.; Angers, P.; Gosselin, A.; Arul, J.,
Characterization and use of essential oil from Thymus vulgaris against Botrytis cinerea and Rhizopus stolonifer in strawberry fruits,
Phytochemistry, 1998, 47, 8, 1515-1520, https://doi.org/10.1016/S0031-9422(97)00795-4
. [all data]
Notes
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