(1R,3aS,5aS,8aR)-1,3a,4,5a-Tetramethyl-1,2,3,3a,5a,6,7,8-octahydrocyclopenta[c]pentalene
- Formula: C15H24
- Molecular weight: 204.3511
- IUPAC Standard InChI: InChI=1S/C15H24/c1-11-6-9-14(4)12(2)10-13(3)7-5-8-15(11,13)14/h10-11H,5-9H2,1-4H3
- IUPAC Standard InChIKey: SAOJPWFHRMUCFN-UHFFFAOYSA-N
- CAS Registry Number: 65372-78-3
- Chemical structure:
This structure is also available as a 2d Mol file - Stereoisomers:
- Other names: Cyclopenta[c]pentalene, 1,2,3,3a,5a,6,7,8-octahydro-1,3a,4,5a-tetramethyl-, (1R,3aS,5aS,8aR)-; Cyclopenta[c]pentalene, 1,2,3,3a,5a,6,7,8-octahydro-1,3a,4,5a-tetramethyl-, [1R-(1α,3aα,5aβ,8aR*)]-; (-)-Isocomene; (-)-α-Isocomene; Berkheyaradulene; Isocomene; α-Isocomene
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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 | RTX-1 | RTX-1 | SPB-1 | DB-5 |
| Column length (m) | 60. | 60. | 60. | 30. | 30. |
| Carrier gas | He | He | He | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.22 | 0.22 | 0.22 | 0.25 | 0.2 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 60. | 60. | 60. | 50. | 50. |
| Tend (C) | 230. | 230. | 230. | 250. | 250. |
| Heat rate (K/min) | 2. | 2. | 2. | 5. | 5. |
| Initial hold (min) | 3. | 3. | |||
| Final hold (min) | 30. | 35. | 35. | 15. | 15. |
| I | 1384. | 1388. | 1388. | 1377. | 1388. |
| Reference | Muselli, Rossi, et al., 2007 | Paolini J., Costa J., et al., 2007 | Paolini, Muselli, et al., 2007 | Blagojevic, Radulovic, et al., 2006 | Blagojevic, Radulovic, et al., 2006 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary |
|---|---|---|---|
| Active phase | RTX-1 | HP-5MS | DB-1 |
| Column length (m) | 60. | 30. | 60. |
| Carrier gas | He | He | He |
| Substrate | |||
| Column diameter (mm) | 0.22 | 0.25 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.25 | |
| Tstart (C) | 60. | 60. | 60. |
| Tend (C) | 230. | 280. | 230. |
| Heat rate (K/min) | 2. | 3. | 3. |
| Initial hold (min) | |||
| Final hold (min) | 35. | 5. | |
| I | 1388. | 1365. | 1405. |
| Reference | Paolini, Costa, et al., 2005 | Tzakou, Vagias, et al., 2004 | Javidnia and Shafiee, 1999 |
| Comment | MSDC-RI | 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]
Paolini J., Costa J., et al., 2007
Paolini J.; Costa J.; Bernardini A.F.,
Analysis of the essential oil from the roots of Eupatorium cannabinum subsp corsicum (L.) by GC, GC-MS and C-13-NMR,
Phytochem. Anal., 2007, 18, 3, 235-244, https://doi.org/10.1002/pca.977
. [all data]
Paolini, Muselli, et al., 2007
Paolini, J.; Muselli, A.; Bernardini, A.-F.; Bighelli, A.; Casanova, J.; Costa, J.,
Thymol derivatives from essential oil of Doronicum corsicum L.,
Flavour Fragr. J., 2007, 22, 6, 479-487, https://doi.org/10.1002/ffj.1824
. [all data]
Blagojevic, Radulovic, et al., 2006
Blagojevic, P.; Radulovic, N.; Palic, R.; Stojanovic, G.,
Chemical composition of the essential oils of Serbian wild-growing Srtemisia absinthium and Artemisia vulgaris,
J. Agric. Food Chem., 2006, 54, 13, 4780-4789, https://doi.org/10.1021/jf060123o
. [all data]
Paolini, Costa, et al., 2005
Paolini, J.; Costa, J.; Bernardini, A.,
Analysis of the essential oil from aerial parts of Eupatorium cannabinum subsp. corsicum (L.) by gas chromatography with electron impact and chemical ionization mass spectrometry,
J. Chromatogr. A, 2005, 1076, 1-2, 170-178, https://doi.org/10.1016/j.chroma.2005.03.131
. [all data]
Tzakou, Vagias, et al., 2004
Tzakou, O.; Vagias, C.; Gani, A.; Yannitsaros, A.,
Volatile constituents of essential oils isolated at different growth stages from three Conyza species growing in Greece,
Flavour Fragr. J., 2004, 19, 425-428. [all data]
Javidnia and Shafiee, 1999
Javidnia, K.; Shafiee, A.,
Constituents of the essential oil of Matricaria decipiens C. Koch,
Flavour Fragr. J., 1999, 14, 3, 153-155, https://doi.org/10.1002/(SICI)1099-1026(199905/06)14:3<153::AID-FFJ792>3.0.CO;2-V
. [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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