Bicyclo[3.1.1]heptan-2-one, 6,6-dimethyl-
- Formula: C9H14O
- Molecular weight: 138.2069
- IUPAC Standard InChIKey: XZFDKWMYCUEKSS-UHFFFAOYSA-N
- CAS Registry Number: 24903-95-5
- 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: β-Pinone; Nopinon; Nopinone; 2-Norpinanone, 6,6-dimethyl-; 6,6-Dimethylbicyclo(3.1.1)heptan-2-one; nopinonee
- 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 | BP-1 | HP-5MS | SPB-1 | RTX-1 |
Column length (m) | 50. | 50. | 20. | 30. | 60. |
Carrier gas | He | He | He | ||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.22 | 0.25 | 0.25 | 0.22 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Tstart (C) | 60. | 60. | 60. | 50. | 60. |
Tend (C) | 220. | 220. | 240. | 250. | 220. |
Heat rate (K/min) | 2. | 2. | 5. | 5. | 2. |
Initial hold (min) | 4. | 3. | |||
Final hold (min) | 20. | 20. | 15. | 15. | 20. |
I | 1108. | 1108. | 1139. | 1129. | 1111. |
Reference | Bousmaha, Boti, et al., 2006 | Gonny, Cavaleiro, et al., 2006 | Kallio, Jussila, et al., 2006 | Radulovic, Lazarevic, et al., 2006 | Cozzani, Muselli, et al., 2005 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | SE-54 | SPB-1 | OV-1 | RTX-1 | HP-5MS |
Column length (m) | 30. | 30. | 25. | 60. | 30. |
Carrier gas | He | He | H2 | He | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.22 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.3 | 0.25 | 0.25 |
Tstart (C) | 60. | 70. | 50. | 60. | 60. |
Tend (C) | 260. | 220. | 200. | 230. | 280. |
Heat rate (K/min) | 2. | 3. | 3. | 2. | 3. |
Initial hold (min) | 5. | 1. | 5. | ||
Final hold (min) | 15. | 20. | 45. | ||
I | 1131. | 1105. | 1087. | 1110. | 1137. |
Reference | Alma, Nitz, et al., 2004 | Antunes, Sevinate-Pinto, et al., 2004 | Bicchi, Rubiolo, et al., 2003 | Cavalli, Tomi, et al., 2003 | Papandreou, Magiatis, et al., 2002 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary |
---|---|---|
Active phase | CP Sil 5 CB | CP Sil 8 CB |
Column length (m) | 25. | 25. |
Carrier gas | N2 | |
Substrate | ||
Column diameter (mm) | 0.25 | 0.2 |
Phase thickness (μm) | 0.25 | 0.25 |
Tstart (C) | 60. | 40. |
Tend (C) | 280. | 200. |
Heat rate (K/min) | 4. | 2. |
Initial hold (min) | 6. | 8. |
Final hold (min) | ||
I | 1102. | 1103. |
Reference | Pino, Marbot, et al., 2002 | Yassaa, Meklati, et al., 2000 |
Comment | 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.
Bousmaha, Boti, et al., 2006
Bousmaha, L.; Boti, J.B.; Bekkara, F.A.; Castola, V.; Casanova, J.,
Infraspecific chemical variability of the essential oil of Lavandula dentata L. from Algeria,
Flavour Fragr. J., 2006, 21, 2, 368-372, https://doi.org/10.1002/ffj.1659
. [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]
Kallio, Jussila, et al., 2006
Kallio, M.; Jussila, M.; Rissanen, T.; Anttila, P.; Hartonen, K.; Reissell, A.; Vreuls, R.; Adahchour, M.; Hyotylainen, T.,
Comprehensive two-dimensional gas chromatography coupled to time-of-flight mass spectrometry in the identification of organic compounds in atmospheric aerosols from coniferous forest,
J. Chromatogr. A, 2006, 1125, 2, 234-243, https://doi.org/10.1016/j.chroma.2006.05.050
. [all data]
Radulovic, Lazarevic, et al., 2006
Radulovic, N.; Lazarevic, J.; Stojanovic, G.; Palic, R.,
Chemotaxonomically significant 2-ethyl substituted fatty acids from Stachys milanii Petrovic (Lamiaceae),
Biochem. Syst. Ecol., 2006, 34, 4, 341-344, https://doi.org/10.1016/j.bse.2005.10.008
. [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]
Antunes, Sevinate-Pinto, et al., 2004
Antunes, T.; Sevinate-Pinto, I.; Barroso, J.G.; Cavaleiro, C.; Salgueiro, L.R.,
Micromorphology of trichomes and composition of essential oil of Teucrium capitatum,
Flavour Fragr. J., 2004, 19, 4, 336-340, https://doi.org/10.1002/ffj.1310
. [all data]
Bicchi, Rubiolo, et al., 2003
Bicchi, C.; Rubiolo, P.; Camargo, E.E.S.; Vilegas, W.; Gracioso, J.S.; Brito, A.R.M.S.,
Components of Turnera diffusa Willd. var. afrodisiaca (Ward) Urb. essential oil,
Flavour Fragr. J., 2003, 18, 1, 59-61, https://doi.org/10.1002/ffj.1155
. [all data]
Cavalli, Tomi, et al., 2003
Cavalli, J.-F.; Tomi, F.; Bernardini, A.-F.; Casanova, J.,
Composition and chemical variability of the bark oil of Cedrelopsis grevei H. Baillon from Madagascar,
Flavour Fragr. J., 2003, 18, 6, 532-538, https://doi.org/10.1002/ffj.1263
. [all data]
Papandreou, Magiatis, et al., 2002
Papandreou, V.; Magiatis, P.; Chinou, I.; Kalpoutzakis, E.; Skaltsounis, A.-L.; Tsarbopoulos, A.,
Volatiles with antimicrobial activity from the roots of Greek Paeonia taxa,
J. Ethnopharmacol., 2002, 81, 1, 101-104, https://doi.org/10.1016/S0378-8741(02)00056-9
. [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]
Yassaa, Meklati, et al., 2000
Yassaa, N.; Meklati, B.Y.; Cecinato, A.,
Evaluation of monoterpenic biogenic volatile organic compounds in ambient air around Eucalyptus globulus, Pinus halepensis and Cedrus atlantica trees growing in Algiers city area by chiral and achiral capillary gas chromatography,
Atmos. Environ., 2000, 34, 17, 2809-2816, https://doi.org/10.1016/S1352-2310(99)00436-7
. [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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