(1R,5S,6R)-2,7,7-Trimethylbicyclo[3.1.1]hept-2-en-6-yl acetate
- Formula: C12H18O2
- Molecular weight: 194.2701
- IUPAC Standard InChIKey: UASZOTVHPVEMQR-UHFFFAOYSA-N
- CAS Registry Number: 67999-48-8
- Chemical structure:
This structure is also available as a 2d Mol file - Species with the same structure:
- Stereoisomers:
- Other names: Bicyclo[3.1.1]hept-2-en-6-ol, 2,7,7-trimethyl-, 6-acetate, (1R,5S,6R)-; Bicyclo[3.1.1]hept-2-en-6-ol, 2,7,7-trimethyl-, acetate, (1α,5α,6α)-; cis-Chrysanthenol acetate; cis-Chrysanthenyl acetate; Chrysanthenyl acetate; (Z)-Chrysanthenyl acetate; Chrysanthenyl acetate (cis); cis-Crysanthenyl acetate
- Information on this page:
- Other data available:
- Options:
Van Den Dool and Kratz 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 | RTX-1 | DB-5 | HP-5MS | HP-5MS | HP-5 |
Column length (m) | 60. | 50. | 30. | 30. | 30. |
Carrier gas | He | N2 | He | He | He |
Substrate | |||||
Column diameter (mm) | 0.22 | 0.2 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.32 | 0.25 | 0.25 | 0.25 |
Tstart (C) | 60. | 60. | 60. | 60. | 40. |
Tend (C) | 230. | 220. | 280. | 280. | 300. |
Heat rate (K/min) | 2. | 5. | 3. | 4. | 4. |
Initial hold (min) | 3. | 5. | 5. | ||
Final hold (min) | 30. | 5. | |||
I | 1242. | 1262. | 1239. | 1266. | 1257. |
Reference | Muselli, Rossi, et al., 2007 | Esmaeili, Nematollahi, et al., 2006 | Pavlovic, Kovacevic, et al., 2006 | Saroglou, Dorizas, et al., 2006 | Vundac, Pfeifhofer, et al., 2006 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP-1 | HP-5MS | HP-5 | DB-5 | DB-1 |
Column length (m) | 25. | 30. | 30. | 30. | 30. |
Carrier gas | He | He | He | He | |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.25 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 0.17 | 0.25 | 0.25 | 0.25 | |
Tstart (C) | 50. | 60. | 60. | 60. | 50. |
Tend (C) | 200. | 280. | 260. | 260. | 265. |
Heat rate (K/min) | 3. | 4. | 3. | 3. | 2.5 |
Initial hold (min) | 5. | ||||
Final hold (min) | |||||
I | 1238. | 1267. | 1260. | 1262. | 1238. |
Reference | Fernández-Ocaña, Gómez-Rodríguez, et al., 2004 | Grujic-Jovanovic, Skaltsa, et al., 2004 | Javidnia, Miri, et al., 2004 | Javidnia, Miri, et al., 2004, 2 | Ramezani, Behravan, et al., 2004 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP-5MS | DB-5MS | HP-5 | HP-5 | HP-5MS |
Column length (m) | 30. | 30. | 30. | 30. | 30. |
Carrier gas | He | He | N2 | He | 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) | 50. | 40. | 60. | 60. | 50. |
Tend (C) | 250. | 200. | 220. | 280. | 250. |
Heat rate (K/min) | 3. | 4. | 5. | 4. | 3. |
Initial hold (min) | 5. | 10. | 5. | ||
Final hold (min) | 20. | ||||
I | 1263. | 1256. | 1264. | 1262. | 1263. |
Reference | Salido, Valenzuela, et al., 2004 | Zheng, Kim, et al., 2004 | Flamini, Luigi Cioni, et al., 2003 | Skaltsa, Demetzos, et al., 2003 | Salido, Altarejos, et al., 2001 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary |
---|---|---|
Active phase | CP Sil 5 CB | DB-5 |
Column length (m) | 25. | 30. |
Carrier gas | He | |
Substrate | ||
Column diameter (mm) | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | |
Tstart (C) | 60. | 50. |
Tend (C) | 260. | 250. |
Heat rate (K/min) | 5. | 3. |
Initial hold (min) | ||
Final hold (min) | ||
I | 1248. | 1261. |
Reference | Weyerstahl, Marschall, et al., 1999 | Isidorov, Zenkevich, et al., 1998 |
Comment | MSDC-RI | MSDC-RI |
References
Go To: Top, Van Den Dool and Kratz 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.
Muselli, Rossi, et al., 2007
Muselli, A.; Rossi, P.-G.; Desjobert, J.-M.; Bernardini, A.-F.; Berti, L.; Costa, J.,
Chemical composition and antibacterial activity of Otanthus maritimus (L.) Hoffmanns. Link essential oils from Corsica,
Flavour Fragr. J., 2007, 22, 3, 217-223, https://doi.org/10.1002/ffj.1787
. [all data]
Esmaeili, Nematollahi, et al., 2006
Esmaeili, A.; Nematollahi, F.; Rustaiyan, A.; Moazami, N.; Masoudi, S.; Bamasian, S.,
Volatile constituents of Achillea pachycephala, A. oxyodonta and A. biebersteinii from Iran,
Flavour Fragr. J., 2006, 21, 2, 253-256, https://doi.org/10.1002/ffj.1571
. [all data]
Pavlovic, Kovacevic, et al., 2006
Pavlovic, M.; Kovacevic, N.; Tzakou, O.; Couladis, M.,
Essential oil composition of Anthemis triumfetti (L.) DC.,
Flavour Fragr. J., 2006, 21, 2, 297-299, https://doi.org/10.1002/ffj.1592
. [all data]
Saroglou, Dorizas, et al., 2006
Saroglou, V.; Dorizas, N.; Kypriotakis, Z.; Skaltsa, H.D.,
Analysis of the essential oil composition of eight Anthemis species from Greece,
J. Chromatogr. A, 2006, 1104, 1-2, 313-322, https://doi.org/10.1016/j.chroma.2005.11.087
. [all data]
Vundac, Pfeifhofer, et al., 2006
Vundac, V.B.; Pfeifhofer, H.W.; Brantner, A.H.; Males, Z.; Plazibat, M.,
Essential oils of seven Stachys taxa from Croatia,
Biochem. Syst. Ecol., 2006, 34, 12, 875-881, https://doi.org/10.1016/j.bse.2006.04.010
. [all data]
Fernández-Ocaña, Gómez-Rodríguez, et al., 2004
Fernández-Ocaña, A.M.; Gómez-Rodríguez, M.V.; Velasco-Negueruela, A.; Camacho-Simarro, A.M.; Fernández-López, C.; Altarejos, J.,
In vivo antifungal activity of the essential oil of Bupleurum gibraltarium against plasmopara halstedii in sunflower,
J. Agric. Food Chem., 2004, 52, 21, 6414-6417, https://doi.org/10.1021/jf040219n
. [all data]
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,
Flavour Fragr. J., 2004, 19, 2, 139-144, https://doi.org/10.1002/ffj.1275
. [all data]
Javidnia, Miri, et al., 2004
Javidnia, K.; Miri, R.; Kamalinejad, M.; Sarkarzadeh, H.; Jamalian, A.,
Chemical composition of the essential oils of Anthemis altissima L. grown in Iran,
Flavour Fragr. J., 2004, 19, 3, 213-216, https://doi.org/10.1002/ffj.1277
. [all data]
Javidnia, Miri, et al., 2004, 2
Javidnia, K.; Miri, R.; Sadeghpour, H.,
Composition of the volatile oil of Achillea wilhelmsii C. Koch from Iran,
DARU, 2004, 12, 2, 63-66, retrieved from http://www1.tums.ac.ir/daru/. [all data]
Ramezani, Behravan, et al., 2004
Ramezani, M.; Behravan, J.; Yazdinezhad, A.,
Chemical composition and antimicrobial activity of the volatile oil of Artemisia khorassanica from Iran,
Pharm. Biol., 2004, 42, 8, 599-602, https://doi.org/10.1080/13880200490902482
. [all data]
Salido, Valenzuela, et al., 2004
Salido, S.; Valenzuela, L.R.; Altarejos, J.; Nogueras, M.; Sánchez, A.; Cano, E.,
Composition and infraspecific variability of Artemisia herba-alba from southern Spain,
Biochem. Syst. Ecol., 2004, 32, 3, 265-277, https://doi.org/10.1016/j.bse.2003.09.002
. [all data]
Zheng, Kim, et al., 2004
Zheng, C.H.; Kim, T.H.; Kim, K.H.; Leem, Y.H.; Lee, H.J.,
Characterization of potent aroma compounds in Chrysanthemum coronarium L. (Garland) using aroma extract dilution analysis,
Flavour Fragr. J., 2004, 19, 5, 401-405, https://doi.org/10.1002/ffj.1447
. [all data]
Flamini, Luigi Cioni, et al., 2003
Flamini, G.; Luigi Cioni, P.; Morelli, I.,
Differences in the fragrances of pollen, leaves, and floral parts of garland (Chrysanthemum coronarium) and composition of the essential oils from flowerheads and leaves,
J. Agric. Food Chem., 2003, 51, 8, 2267-2271, https://doi.org/10.1021/jf021050l
. [all data]
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,
Phytochemistry, 2003, 64, 3, 743-752, https://doi.org/10.1016/S0031-9422(03)00386-8
. [all data]
Salido, Altarejos, et al., 2001
Salido, S.; Altarejos, J.; Nogueras, M.; Sánchez, A.,
Chemical composition of the essential oil of Artemisia herba-alba Asso ssp. valentina (Lam.) Marcl.,
J. Essent. Oil Res., 2001, 13, 4, 221-224, https://doi.org/10.1080/10412905.2001.9699675
. [all data]
Weyerstahl, Marschall, et al., 1999
Weyerstahl, P.; Marschall, H.; Wahlburg, H.-C.; Christiansen, C.; Rustaiyan, A.; Mirdjalili, F.,
Constituents of the essential oil of Pulicaria gnaphalodes (Vent.) Boiss. from Iran,
Flavour Fragr. J., 1999, 14, 2, 121-130, https://doi.org/10.1002/(SICI)1099-1026(199903/04)14:2<121::AID-FFJ790>3.0.CO;2-K
. [all data]
Isidorov, Zenkevich, et al., 1998
Isidorov, V.A.; Zenkevich, I.G.; Dubis, E.N.; Slowikowski, A.; Wojciuk, E.,
Group identification of essential oils components using partition coefficients in a hexane-acetonitrile system,
J. Chromatogr. A, 1998, 814, 1-2, 253-260, https://doi.org/10.1016/S0021-9673(98)00398-7
. [all data]
Notes
Go To: Top, Van Den Dool and Kratz 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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