Bicyclo[3.1.1]heptan-3-one, 2,6,6-trimethyl-, (1α,2α,5α)-
- Formula: C10H16O
- Molecular weight: 152.2334
- IUPAC Standard InChI: InChI=1S/C10H16O/c1-6-8-4-7(5-9(6)11)10(8,2)3/h6-8H,4-5H2,1-3H3
- IUPAC Standard InChIKey: MQPHVIPKLRXGDJ-UHFFFAOYSA-N
- CAS Registry Number: 547-60-4
- Chemical structure:
This structure is also available as a 2d Mol file - Species with the same structure:
- Stereoisomers:
- Other names: trans-3-Pinanone; (E)-Pinocamphone; trans-Pinocamphone; Pinocamphone, trans; Pinocamphone; 2,6,6-Trimethylbicyclo[3.1.1]heptan-3-one, (1α,2α,5α)-; (1R,2S,5S)-2,6,6-Trimethylbicyclo[3.1.1]heptan-3-one-rel-; 30517-87-4; 3-Pinanone; 2,6,6-Trimethylbicyclo[3.1.1]heptan-3-one; trans-pinocamphone (pinocamphone); (1α,2α,5α)-2,6,6-trimethylbicyclo[3.1.1]heptan-3-one
- Information on this page:
- Other data available:
- Options:
Van Den Dool and Kratz RI, 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-20M | BP-20 | BP-20 | DB-Wax | RTX-Wax |
| Column length (m) | 50. | 50. | 50. | 60. | 60. |
| Carrier gas | He | He | He | He | |
| Substrate | |||||
| Column diameter (mm) | 0.2 | 0.22 | 0.22 | 0.32 | 0.22 |
| Phase thickness (μm) | 0.2 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 70. | 60. | 60. | 35. | 60. |
| Tend (C) | 180. | 220. | 220. | 220. | 220. |
| Heat rate (K/min) | 4. | 2. | 2. | 3. | 2. |
| Initial hold (min) | 4. | ||||
| Final hold (min) | 10. | 20. | 20. | 20. | |
| I | 1482. | 1507. | 1515. | 1576. | 1507. |
| Reference | Maksimovic, Vidic, et al., 2007 | Boti, Bighelli, et al., 2006 | Gonny, Cavaleiro, et al., 2006 | Pala-Paul, Copeland, et al., 2006 | Cozzani, Muselli, et al., 2005 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary |
|---|---|
| Active phase | DB-Wax |
| Column length (m) | 60. |
| Carrier gas | He |
| Substrate | |
| Column diameter (mm) | 0.32 |
| Phase thickness (μm) | |
| Tstart (C) | 35. |
| Tend (C) | 220. |
| Heat rate (K/min) | 3. |
| Initial hold (min) | |
| Final hold (min) | |
| I | 1578. |
| Reference | Brophy, Goldsack, et al., 1998 |
| Comment | MSDC-RI |
References
Go To: Top, Van Den Dool and Kratz RI, 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.
Maksimovic, Vidic, et al., 2007
Maksimovic, M.; Vidic, D.; Milos, M.; Solic, M.E.; Abadzic, S.; Siljak-Yakovlev, S.,
Effect of the environmental conditions on essential oil profile in two Dinaric Salvia species: S. brachyodon Vandas and S. officinalis L.,
Biochem. Syst. Ecol., 2007, 35, 8, 473-478, https://doi.org/10.1016/j.bse.2007.02.005
. [all data]
Boti, Bighelli, et al., 2006
Boti, J.B.; Bighelli, A.; Cavaleiro, C.; Salgueiro, L.; Casanova, J.,
Chemical variability of Juniperus oxycedrus ssp. oxycedrus berry and leaf oils from Corsica, analysed by combination of GC, GC-MS and 13C-NMR,
Flavour Fragr. J., 2006, 21, 2, 268-273, https://doi.org/10.1002/ffj.1579
. [all data]
Gonny, Cavaleiro, et al., 2006
Gonny, M.; Cavaleiro, C.; Salgueiro, L.; Casanova, J.,
Analysis of Juniperus communis subsp. alpina needle, berry, wood and root oils by combination of GC, GC/MS and 13C-NMR,
Flavour Fragr. J., 2006, 21, 1, 99-106, https://doi.org/10.1002/ffj.1527
. [all data]
Pala-Paul, Copeland, et al., 2006
Pala-Paul, J.; Copeland, L.M.; Brophy, J.J.; Goldsack, R.J.,
Essential oil composition of two variants of Prostanthera lasianthos Labill. from Australia,
Biochem. Syst. Ecol., 2006, 34, 1, 48-55, https://doi.org/10.1016/j.bse.2005.04.003
. [all data]
Cozzani, Muselli, et al., 2005
Cozzani, S.; Muselli, A.; Desjobert, J.-M.; Bernardini, A.-F.; Tomi, F.; Casanova, J.,
Chemical composition of essential oil of Teucrium polium subsp. capitatum (L.) from Corsica,
Flavour Fragr. J., 2005, 20, 4, 436-441, https://doi.org/10.1002/ffj.1463
. [all data]
Brophy, Goldsack, et al., 1998
Brophy, J.J.; Goldsack, R.J.; Bean, A.R.; Forster, P.I.; Lepschi, B.J.,
Leaf essential oils of the genus Leptospermum (Myrtaceae) in eastern Australia. Part 2. Leptospermum blakelyi and allies,
Flavour Fragr. J., 1998, 13, 5, 353-358, https://doi.org/10.1002/(SICI)1099-1026(1998090)13:5<353::AID-FFJ759>3.0.CO;2-1
. [all data]
Notes
Go To: Top, Van Den Dool and Kratz RI, 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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