Bicyclo[3.1.1]heptan-3-one, 2,6,6-trimethyl-, (1α,2β,5α)-
- Formula: C10H16O
- Molecular weight: 152.2334
- IUPAC Standard InChIKey: MQPHVIPKLRXGDJ-UHFFFAOYSA-N
- CAS Registry Number: 15358-88-0
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Species with the same structure:
- Stereoisomers:
- Other names: 3-Pinanone, cis; Isocamphopinone; Isopinocamphon; Isopinocamphone; 2,6,6-Trimethylbicyclo[3.1.1]heptan-3-one, (1α,2β,5α)-; Pinocamphone, cis-; (1S,2S,5R)-2,6,6-Trimethylbicyclo[3.1.1]heptan-3-one-rel-; cis-Pinocamphone; cis-pinocamphone (isopinocamphone); (1α,2β,5α)-2,6,6-trimethylbicyclo[3.1.1]heptan-3-one
- Information on this page:
- Other data available:
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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 | BP-1 | CP Sil 5 CB | HP-5 | RTX-1 | SE-54 |
Column length (m) | 50. | 25. | 30. | 60. | 30. |
Carrier gas | He | H2 | N2 | He | |
Substrate | |||||
Column diameter (mm) | 0.22 | 0.25 | 0.25 | 0.22 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | |
Tstart (C) | 60. | 80. | 60. | 60. | 60. |
Tend (C) | 220. | 270. | 220. | 220. | 260. |
Heat rate (K/min) | 2. | 10. | 5. | 2. | 2. |
Initial hold (min) | 10. | 5. | |||
Final hold (min) | 20. | 20. | |||
I | 1151. | 1151. | 1173. | 1152. | 1169. |
Reference | Gonny, Cavaleiro, et al., 2006 | Ziegenbein, Hanssen, et al., 2006 | Cioni, Flamini, et al., 2005 | Cozzani, Muselli, 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 | SPB-1 | HP-5 | HP-5MS | HP-5 | CP Sil 5 CB |
Column length (m) | 30. | 30. | 30. | 30. | 25. |
Carrier gas | He | He | He | N2 | N2 |
Substrate | |||||
Column diameter (mm) | 0.2 | 0.25 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 0.2 | 0.25 | 0.25 | 0.25 | 0.25 |
Tstart (C) | 70. | 60. | 50. | 60. | 60. |
Tend (C) | 220. | 240. | 250. | 220. | 280. |
Heat rate (K/min) | 3. | 3. | 3. | 5. | 4. |
Initial hold (min) | 10. | 6. | |||
Final hold (min) | 15. | ||||
I | 1147. | 1175. | 1172. | 1180. | 1146. |
Reference | Moldão-Martins, Beirão-da-Costa, et al., 2004 | Macchioni, Cioni, et al., 2003 | Salido, Altarejos, et al., 2003 | Flamini, Cioni, et al., 2002 | Pino, Marbot, et al., 2002 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|
Active phase | DB-1 | Mega 5MS | BP-1 | DB-5 |
Column length (m) | 50. | 30. | 50. | 0.32 |
Carrier gas | He | He | He | H2 |
Substrate | ||||
Column diameter (mm) | 0.22 | 0.25 | 0.22 | 1. |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | |
Tstart (C) | 60. | 40. | 60. | 30. |
Tend (C) | 220. | 240. | 230. | 180. |
Heat rate (K/min) | 2. | 3. | 2. | 1.5 |
Initial hold (min) | 2. | 5. | ||
Final hold (min) | 20. | 35. | ||
I | 1150. | 1157. | 1148. | 1168. |
Reference | Pintore, Usai, et al., 2002 | Verzera, Trozzi, et al., 2000 | Mariotti, Tomi, et al., 1997 | Guichard and Souty, 1988 |
Comment | MSDC-RI | 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.
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]
Ziegenbein, Hanssen, et al., 2006
Ziegenbein, F.C.; Hanssen, H.-P.; König, W.A.,
Secondary metabolites from Ganoderma lucidum and Spongiporus leucomallellus,
Phytochemistry, 2006, 67, 2, 202-211, https://doi.org/10.1016/j.phytochem.2005.10.025
. [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]
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]
Moldão-Martins, Beirão-da-Costa, et al., 2004
Moldão-Martins, M.; Beirão-da-Costa, S.; Neves, C.; Cavaleiro, C.; Salgueiro, L.; Beirão-da-Costa, M.L.,
Olive oil flavoured by the essential oils of Mentha × piperita and Thymus mastichina L.,
Food Qual. Pref., 2004, 15, 5, 447-452, https://doi.org/10.1016/j.foodqual.2003.08.001
. [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]
Flamini, Cioni, et al., 2002
Flamini, G.; Cioni, P.L.; Morelli, I.,
Differences in the fragrances of pollen and different floral parts of male and female flowers of Laurus nobilis,
J. Agric. Food Chem., 2002, 50, 16, 4647-4652, https://doi.org/10.1021/jf020269x
. [all data]
Pino, Marbot, et al., 2002
Pino, J.A.; Marbot, R.; Quert, R.; García, H.,
Study of essential oils of Eucalyptus resinifera Smith, E. tereticornis Smith and Corymbia maculata (Hook.) K.D. Hill L.A.S. Johnson, grown in Cuba,
Flavour Fragr. J., 2002, 17, 1, 1-4, https://doi.org/10.1002/ffj.1026
. [all data]
Pintore, Usai, et al., 2002
Pintore, G.; Usai, M.; Bradesi, P.; Juliano, C.; Boatto, G.; Tomi, F.; Chessa, M.; Cerri, R.; Casanova, J.,
Chemical composition and antimicrobial activity of Rosmarinus officinalis L. oils from Sardinia and Corsica,
Flavour Fragr. J., 2002, 17, 1, 15-19, https://doi.org/10.1002/ffj.1022
. [all data]
Verzera, Trozzi, et al., 2000
Verzera, A.; Trozzi, A.; Cotroneo, A.; Lorenzo, D.; Dellacassa, E.,
Uruguayan essential oil. 12. Composition of Nova and Satsuma mandarin oils,
J. Agric. Food Chem., 2000, 48, 7, 2903-2909, https://doi.org/10.1021/jf990734z
. [all data]
Mariotti, Tomi, et al., 1997
Mariotti, J.P.; Tomi, F.; Casanova, J.; Costa, J.; Bernardini, A.F.,
Composition of the essential oil of Cistus Iadaniferus L. cultivated in corsica (France),
Flavour Fragr. J., 1997, 12, 3, 147-151, https://doi.org/10.1002/(SICI)1099-1026(199705)12:3<147::AID-FFJ631>3.0.CO;2-Q
. [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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