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:
Normal alkane 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 | Supelcowax-10 | TC-FFAP | TC-FFAP | Supelcowax-10 | CP-Wax 52CB |
| Column length (m) | 30. | 30. | 30. | ||
| Carrier gas | Helium | He | He | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.20 | 0.25 | 0.25 | 0.2 | 0.32 |
| Phase thickness (μm) | 0.20 | 0.25 | 0.25 | 0.2 | 0.25 |
| Tstart (C) | 70. | 60. | 60. | 70. | 60. |
| Tend (C) | 220. | 220. | 220. | 220. | 220. |
| Heat rate (K/min) | 3. | 3. | 3. | 3. | 3.3 |
| Initial hold (min) | 7. | ||||
| Final hold (min) | 15. | 30. | 30. | 15. | 3. |
| I | 1511. | 1523. | 1525. | 1516. | 1578. |
| Reference | Neves, Rosa, et al., 2010 | Kurose, Okamura, et al., 2007 | Kurose, Okamura, et al., 2007 | Pinto, Salgueiro, et al., 2007 | Hymete, Rohloff, et al., 2006 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary |
|---|---|---|---|
| Active phase | Carbowax 20M | DB-Wax | Carbowax 20M |
| Column length (m) | 50. | 60. | 45. |
| Carrier gas | Hydrogen | ||
| Substrate | |||
| Column diameter (mm) | 0.2 | 0.25 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.25 | 1.0 |
| Tstart (C) | 60. | 30. | 60. |
| Tend (C) | 250. | 170. | 200. |
| Heat rate (K/min) | 2. | 2. | 2. |
| Initial hold (min) | 60. | 4. | 5. |
| Final hold (min) | 30. | ||
| I | 1504. | 1548. | 1529. |
| Reference | Fernandez, Lizzani-Cuvelier, et al., 2005 | Buttery, Light, et al., 2000 | Kollmannsberger, Nitz, et al., 1992 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane 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.
Neves, Rosa, et al., 2010
Neves, A.; Rosa, S.; Goncalves, J.; Rufino, A.; Judas, F.; Salgueiro, L.; Lopes, M.C.; Cavaleiro, C.; Mendes, A.F.,
Screening of five essential oils for identification of potential inhibitors of IL-1-unduced Nf-kB activation and NO production in human clondrocytes: characterization of the inhibitory activity of alpha-pinene,
Plante Med., 2010, 76, 03, 303-308, https://doi.org/10.1055/s-0029-1186085
. [all data]
Kurose, Okamura, et al., 2007
Kurose, K.; Okamura, D.; Yatagai, M.,
Composition of the essential oils from the leaves of nine Pinus species and the cones of three of Pinus species,
Flavour Fragr. J., 2007, 22, 1, 10-20, https://doi.org/10.1002/ffj.1609
. [all data]
Pinto, Salgueiro, et al., 2007
Pinto, E.; Salgueiro, L.R.; Cavaleiro, C.; Palmeira, A.; Goncalves, M.J.,
In vitro susceptibility of some species of yeasts and filamentous fungi to essential oils of Salvia of?cinalis,
Ind. Crops Prod., 2007, 26, 2, 135-141, https://doi.org/10.1016/j.indcrop.2007.02.004
. [all data]
Hymete, Rohloff, et al., 2006
Hymete, A.; Rohloff, J.; Iversen, T.-H.,
Essential oil from seeds and husks of Aframomum corrorima from Ethiopia,
Flavour Fragr. J., 2006, 21, 4, 642-644, https://doi.org/10.1002/ffj.1634
. [all data]
Fernandez, Lizzani-Cuvelier, et al., 2005
Fernandez, X.; Lizzani-Cuvelier, L.; Loiseau, A.-M.; Perichet, C.; Delbecque, C.; Arnaudo, J.-F.,
Chemical composition of the essential oils from Turkish and Honduras Styrax,
Flavour Fragr. J., 2005, 20, 1, 70-73, https://doi.org/10.1002/ffj.1370
. [all data]
Buttery, Light, et al., 2000
Buttery, R.G.; Light, D.M.; Nam, Y.; Merrill, G.B.; Roitman, J.N.,
Volatile components of green walnut husks,
J. Agric. Food Chem., 2000, 48, 7, 2858-2861, https://doi.org/10.1021/jf000288b
. [all data]
Kollmannsberger, Nitz, et al., 1992
Kollmannsberger, H.; Nitz, S.; Drawert, F.,
UBer die Aromastoffzusammensetzung von Hochdruckextrakten. I. Pfeffer (Piper nigrum, Var. muntok),
Z. Lebensm. Unters Forsch., 1992, 194, 6, 545-551, https://doi.org/10.1007/BF01185481
. [all data]
Notes
Go To: Top, Normal alkane 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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