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, 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 | HP-5 | HP-5 | HP-5 | DB-5 | SPB-1 |
| Column length (m) | 25. | 25. | 25. | 30. | 30. |
| Carrier gas | Hydrogen | Hydrogen | Hydrogen | Helium | Helium |
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.32 | 0.32 | 0.25 | 0.20 |
| Phase thickness (μm) | 0.52 | 0.52 | 0.52 | 0.25 | 0.20 |
| Tstart (C) | 40. | 40. | 40. | 50. | 70. |
| Tend (C) | 280. | 280. | 280. | 250. | 220. |
| Heat rate (K/min) | 4. | 4. | 4. | 2. | 3. |
| Initial hold (min) | |||||
| Final hold (min) | 10. | 10. | 10. | 15. | |
| I | 1156. | 1156. | 1156. | 1163. | 1134. |
| Reference | Velickovic, Ristic, et al., 2012 | Velickovic, Ristic, et al., 2012 | Velickovic, Ristic, et al., 2012 | Ho, Wang, et al., 2010 | Neves, Rosa, et al., 2010 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | SE-54 | HP-5 MS | HP-5 MS | DB-5 | SPB-1 |
| Column length (m) | 30. | 30. | 30. | 30. | 30. |
| Carrier gas | Helium | Helium | Helium | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.2 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.2 |
| Tstart (C) | 60. | 50. | 50. | 35. | 70. |
| Tend (C) | 260. | 230. | 230. | 220. | 220. |
| Heat rate (K/min) | 2. | 3. | 3. | 3. | 3. |
| Initial hold (min) | 5. | 10. | 10. | ||
| Final hold (min) | 999. | 10. | 10. | 40. | 15. |
| I | 1156. | 1177. | 1160. | 1161. | 1134. |
| Reference | Dayisoylu and Alma, 2009 | Adams, Beauchamp, et al., 2007 | Adams, Beauchamp, et al., 2007 | El-Ghorab A., El-Massry K.F., et al., 2007 | Pinto, Salgueiro, et al., 2007 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-1 | AT-5 | DB-1 | CP Sil 5 CB | HP-1 |
| Column length (m) | 60. | 60. | 60. | 30. | 50. |
| Carrier gas | He | He | |||
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.2 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 60. | 60. | 60. | 40. | 60. |
| Tend (C) | 250. | 200. | 250. | 220. | 250. |
| Heat rate (K/min) | 5. | 4. | 5. | 3. | 2. |
| Initial hold (min) | 60. | ||||
| Final hold (min) | 20. | 10. | 3. | ||
| I | 1142. | 1174. | 1158. | 1163. | 1144. |
| Reference | Salehi, Fakhari, et al., 2007 | Borges, Rojas, et al., 2006 | Hadian, Sonboli, et al., 2006 | Hymete, Rohloff, et al., 2006 | Fernandez, Lizzani-Cuvelier, et al., 2005 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | HP-5MS | DB-1 | DB-5 | HP-5 | DB-1 |
| Column length (m) | 30. | 50. | 60. | 30. | 50. |
| Carrier gas | He | He | N2 | ||
| 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. | 60. | 40. | 60. | 60. |
| Tend (C) | 250. | 240. | 280. | 280. | 240. |
| Heat rate (K/min) | 3. | 3. | 4. | 3. | 3. |
| Initial hold (min) | 10. | 4. | |||
| Final hold (min) | 5. | ||||
| I | 1176. | 1135. | 1159. | 1144. | 1135. |
| Reference | Melkani, Dev, et al., 2005 | Velasco-Negueruela, Pérez-Alonso, et al., 2005 | Kalvandi, Sefidkon, et al., 2004 | Pitarokili, Tzakou, et al., 2003 | Velasco-Negueruela, Pérez-Alonso, et al., 2002 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary |
|---|---|---|
| Active phase | DB-5 | RSL-150 |
| Column length (m) | 30. | 30. |
| Carrier gas | He | |
| Substrate | ||
| Column diameter (mm) | 0.25 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.20 |
| Tstart (C) | 60. | 30. |
| Tend (C) | 240. | 200. |
| Heat rate (K/min) | 3. | 3. |
| Initial hold (min) | ||
| Final hold (min) | ||
| I | 1161. | 1138. |
| Reference | Tellez, Canel, et al., 1999 | Ronse and De Pooter, 1990 |
| Comment | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane 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.
Velickovic, Ristic, et al., 2012
Velickovic, D.T.; Ristic, M.S.; Karabegovic, I.T.; Stojicevic, S.S.; Lazic, M.L.,
The influence of the distillation method on the chemical composition of the essential oil of sage (Salvia officinalis L.),
Advanced Technologies, 2012, 1, 1, 47-51. [all data]
Ho, Wang, et al., 2010
Ho, C.-L.; Wang, E.I.-C.; Yu, H.-T.; Yu, H.-M.; Su, Y.-C.,
Composition amd antioxidant activities of essential oils of different tissues from Cryptomeria japonica D. Don,
Quarterly J. Chin. Forestry, 2010, 32, 1, 63-76. [all data]
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,
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Dayisoylu and Alma, 2009
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Chemical analysis of essential oils from cone's rosin of Cilician fir (Abies cilicica subsp. cilicica),
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New Natural Products Isolated from One-Seeded Juniperus of the Southwestern United States: Isolation and Occurence of 2-Ethenyl-3-methyl Phanol and Its Derivatives,
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El-Ghorab A., El-Massry K.F., et al., 2007
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Chemical composition of the volatile extract and antioxidant activities of the volatile and nonvolatile extracts of Egyptian corn silk (Zea mays L.),
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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,
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Salehi, Fakhari, et al., 2007
Salehi, P.; Fakhari, A.R.; Ebrahimi, S.N.; Heydari, R.,
Rapid essential oil screening of Rosmarinus officinalis L. by hydrodistillation-headspace solvent microextraction,
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Borges, Rojas, et al., 2006
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Study of the essential oils from the leaves and flowers of Lepechinia conferta (Benth) Epl.,
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Hadian, Sonboli, et al., 2006
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Essential oil composition of Nepeta satureioides from Iran,
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Hymete, Rohloff, et al., 2006
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Essential oil from seeds and husks of Aframomum corrorima from Ethiopia,
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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,
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Melkani, Dev, et al., 2005
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Velasco-Negueruela, Pérez-Alonso, et al., 2005
Velasco-Negueruela, A.; Pérez-Alonso, M.J.; Palá-Paúl, J.; Iñigo, A.; López, G.,
The volatile oil composition of the berries of Juniperus macrocarpa Sibth. and Sm., gathered in Spain,
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Kalvandi, Sefidkon, et al., 2004
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Analysis of the essential oil of Thymus eriocalyx from Iran,
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Pitarokili, Tzakou, et al., 2003
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Velasco-Negueruela, Pérez-Alonso, et al., 2002
Velasco-Negueruela, A.; Pérez-Alonso, M.J.; Palá-Paúl, J.; Íñigo, A.; López, G.,
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Tellez, Canel, et al., 1999
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Notes
Go To: Top, Normal alkane 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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