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, 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 | DB-5 | DB-5 | BP-1 | DB-5 | BP-1 |
| Column length (m) | 30. | 30. | 50. | 30. | 50. |
| Carrier gas | He | He | He | N2 | He |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.22 | 0.32 | 0.22 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 60. | 60. | 60. | 60. | 60. |
| Tend (C) | 240. | 240. | 220. | 240. | 220. |
| Heat rate (K/min) | 3. | 3. | 2. | 3. | 2. |
| Initial hold (min) | 2. | 3. | |||
| Final hold (min) | 20. | 5. | 20. | ||
| I | 1160. | 1156. | 1135. | 1152. | 1140. |
| Reference | Flamini, Cioni, et al., 2007 | Batista-Pereira, Fernandes, et al., 2006 | Boti, Bighelli, et al., 2006 | Dob, Dahmane, et al., 2006 | Gonny, Cavaleiro, et al., 2006 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | HP-5MS | HP-5 | RTX-1 | DB-1 | SE-54 |
| Column length (m) | 30. | 30. | 60. | 30. | 30. |
| Carrier gas | He | N2 | N2 | He | |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.22 | 0.32 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 60. | 60. | 60. | 50. | 60. |
| Tend (C) | 280. | 220. | 220. | 260. | 260. |
| Heat rate (K/min) | 4. | 5. | 2. | 2. | 2. |
| Initial hold (min) | 5. | 10. | 3. | 5. | |
| Final hold (min) | 20. | 5. | |||
| I | 1158. | 1160. | 1141. | 1136. | 1156. |
| Reference | Saroglou, Dorizas, et al., 2006 | Cioni, Flamini, et al., 2005 | Cozzani, Muselli, et al., 2005 | Dob, Berramdane, et al., 2005 | Alma, Nitz, 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 | HP-5MS | HP-5 | HP-5MS | DB-1 |
| Column length (m) | 30. | 30. | 30. | 30. | 30. |
| Carrier gas | He | He | 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. | 50. | 60. | 50. | 50. |
| Tend (C) | 300. | 200. | 240. | 250. | 220. |
| Heat rate (K/min) | 5. | 6. | 3. | 3. | 3. |
| Initial hold (min) | 5. | 1.5 | 3. | ||
| Final hold (min) | 5. | ||||
| I | 1163. | 1169. | 1162. | 1159. | 1143. |
| Reference | Mumm, Tiemann, et al., 2004 | Weissbecker, Holighaus, et al., 2004 | Macchioni, Cioni, et al., 2003 | Salido, Altarejos, et al., 2003 | Muselli, Hoi, et al., 1999 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary |
|---|---|
| Active phase | DB-5 |
| Column length (m) | 0.32 |
| Carrier gas | H2 |
| Substrate | |
| Column diameter (mm) | 1. |
| Phase thickness (μm) | |
| Tstart (C) | 30. |
| Tend (C) | 180. |
| Heat rate (K/min) | 1.5 |
| Initial hold (min) | 5. |
| Final hold (min) | |
| I | 1159. |
| Reference | Guichard and Souty, 1988 |
| Comment | 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.
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,
Food Chem., 2007, 100, 2, 732-735, https://doi.org/10.1016/j.foodchem.2005.10.032
. [all data]
Batista-Pereira, Fernandes, et al., 2006
Batista-Pereira, L.G.; Fernandes, J.B.; Correa, A.G.; da Silva, M.F.G.F.; Vieira, P.C.,
Electrophysiological responses of eucalyptus brown looper Thyrinteina arnobia to essential oils of seven Eucalyptus species,
J. Braz. Chem. Soc., 2006, 17, 3, 555-561, https://doi.org/10.1590/S0103-50532006000300019
. [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]
Dob, Dahmane, et al., 2006
Dob, T.; Dahmane, D.; Chelghoum, C.,
Essential oil composition of Juniperus oxycedrus growing in Algeria,
Pharm. Biol., 2006, 44, 1, 1-6, https://doi.org/10.1080/13880200500530922
. [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]
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]
Cioni, Flamini, et al., 2005
Cioni, P.L.; Flamini, G.; Caponi, C.; Ceccarini, L.; Morelli, I.,
Analysis of volatile fraction, fixed oil and tegumental waxes of the seeds of two different cultivars of Helianthus annuus,
Food Chem., 2005, 90, 4, 713-717, https://doi.org/10.1016/j.foodchem.2004.04.031
. [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]
Dob, Berramdane, et al., 2005
Dob, T.; Berramdane, T.; Dahmane, D.; Chelghoum, C.,
Chemical composition of the needles oil of Pinus canariensis from Algeria,
Chem. Nat. Compd. (Engl. Transl.), 2005, 41, 2, 165-167, https://doi.org/10.1007/s10600-005-0103-1
. [all data]
Alma, Nitz, et al., 2004
Alma, M.H.; Nitz, S.; Kollmannsberger, H.; Digrak, M.; Efe, F.T.; Yilmaz, N.,
Chemical composition and antimicrobial activity of the essential oils from the gum of Turkish Pistachio (Pistacia vera L.),
J. Agric. Food Chem., 2004, 52, 12, 3911-3914, https://doi.org/10.1021/jf040014e
. [all data]
Mumm, Tiemann, et al., 2004
Mumm, R.; Tiemann, T.; Schulz, S.; Hilker, M.,
Analysis of volatiles from black pine (Pinus nigra): significance of wounding and egg deposition by a herbivorous sawfly,
Phytochemistry, 2004, 65, 24, 3221-3230, https://doi.org/10.1016/j.phytochem.2004.10.010
. [all data]
Weissbecker, Holighaus, et al., 2004
Weissbecker, B.; Holighaus, G.; Schütz, S.,
Gas chromatography with mass spectrometric and electroantennographic detection: analysis of wood odorants by direct coupling of insect olfaction and mass spectrometry,
J. Chromatogr. A, 2004, 1056, 1-2, 209-216, https://doi.org/10.1016/j.chroma.2004.06.120
. [all data]
Macchioni, Cioni, et al., 2003
Macchioni, F.; Cioni, P.L.; Flamini, G.; Morelli, I.; Maccioni, S.; Ansaldi, M.,
Chemical composition of essential oils from needles, branches and cones of Pinus pinea, P. halepensis, P. pinaster and P. nigra from central Italy,
Flavour Fragr. J., 2003, 18, 2, 139-143, https://doi.org/10.1002/ffj.1178
. [all data]
Salido, Altarejos, et al., 2003
Salido, S.; Altarejos, J.; Nogueras, M.; Sánchez, A.; Luque, P.,
Chemical composition and seasonal variations of rosemary oil from Southern Spain,
J. Essent. Oil Res., 2003, 15, 1, 10-14, https://doi.org/10.1080/10412905.2003.9712248
. [all data]
Muselli, Hoi, et al., 1999
Muselli, A.; Hoi, T.M.; Cu, L.D.; Moi, L.D.; Bessière, J.-M.; Bighelli, A.; Casanova, J.,
Composition of the essential oil of Acanthopanax trifoliatus (L.) Merr. (Araliacaea) from Vietnam,
Flavour Fragr. J., 1999, 14, 1, 41-44, https://doi.org/10.1002/(SICI)1099-1026(199901/02)14:1<41::AID-FFJ781>3.0.CO;2-B
. [all data]
Guichard and Souty, 1988
Guichard, E.; Souty, M.,
Comparison of the relative quantities of aroma compounds found in fresh apricot (Prunus armeniaca) from six different varieties,
Z. Lebensm. Unters. Forsch., 1988, 186, 4, 301-307, https://doi.org/10.1007/BF01027031
. [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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