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:
Kovats' 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 | HP-5MS | DB-5 | DB-5 | PTE-5 |
| Column length (m) | 30. | 30. | 30. | 30. | 60. |
| Carrier gas | He | He | He | He | H2 |
| Substrate | |||||
| Column diameter (mm) | 0.26 | 0.25 | 0.26 | 0.26 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.3 |
| Tstart (C) | 60. | 50. | 60. | 60. | 60. |
| Tend (C) | 246. | 250. | 240. | 246. | 285. |
| Heat rate (K/min) | 3. | 3. | 3. | 3. | 4.3 |
| Initial hold (min) | |||||
| Final hold (min) | |||||
| I | 1163. | 1159. | 1160. | 1160. | 1160. |
| Reference | Adams, Morris, et al., 2005 | Salido, Altarejos, et al., 2002 | Adams, 2000 | Adams, 2000, 2 | Mitic and Dordevic, 2000 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary |
|---|---|---|
| Active phase | DB-5 | OV-101 |
| Column length (m) | 30. | 25. |
| Carrier gas | N2 | |
| Substrate | ||
| Column diameter (mm) | 0.32 | 0.25 |
| Phase thickness (μm) | ||
| Tstart (C) | 50. | 50. |
| Tend (C) | 250. | 200. |
| Heat rate (K/min) | 3. | 5. |
| Initial hold (min) | 5. | |
| Final hold (min) | ||
| I | 1164. | 1157. |
| Reference | Tzakou, Harvala, et al., 2000 | Menut, Molangui, et al., 1995 |
| Comment | MSDC-RI | MSDC-RI |
References
Go To: Top, Kovats' 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.
Adams, Morris, et al., 2005
Adams, R.P.; Morris, J.A.; Pandey, R.N.; Schwarzbach, A.E.,
Cryptic speciation between Juniperus deltoides and Juniperus oxycedrus (Cupressaceae) in the Mediterranean,
Biochem. Syst. Ecol., 2005, 33, 8, 771-787, https://doi.org/10.1016/j.bse.2005.01.001
. [all data]
Salido, Altarejos, et al., 2002
Salido, S.; Altarejos, J.; Nogueras, M.; Sánchez, A.; Pannecouque, C.; Witvrouw, M.; De Clercq, E.,
Chemical studies of essential oils of Juniperus oxycedrus ssp. badia,
J. Ethnopharmacol., 2002, 81, 1, 129-134, https://doi.org/10.1016/S0378-8741(02)00045-4
. [all data]
Adams, 2000
Adams, R.P.,
Systematics of Juniperus section Juniperus based on leaf essential oils and random amplified polymorphic DNAs (RAPDs),
Biochem. Syst. Ecol., 2000, 28, 6, 515-528, https://doi.org/10.1016/S0305-1978(99)00089-7
. [all data]
Adams, 2000, 2
Adams, R.P.,
The serrate leaf margined Juniperus (Section Sabina) of the western hemisphere: systematics and evolution based on leaf essential oils and Random Amplified Polymorphic DNAs (RAPDs),
Biochem. Syst. Ecol., 2000, 28, 10, 975-989, https://doi.org/10.1016/S0305-1978(00)00022-3
. [all data]
Mitic and Dordevic, 2000
Mitic, V.; Dordevic, S.,
Essential oil composition of Hyssopus Officinalis L. cultivated in Serbia,
Facta Univ. Phys. Chem. Technol., 2000, 2, 2, 105-108. [all data]
Tzakou, Harvala, et al., 2000
Tzakou, O.; Harvala, C.; Galati, E.M.; Sanogo, R.,
Essential oil composition of Nepeta argolica Borey et Chaub. subsp. argolica,
Flavour Fragr. J., 2000, 15, 2, 115-118, https://doi.org/10.1002/(SICI)1099-1026(200003/04)15:2<115::AID-FFJ877>3.0.CO;2-9
. [all data]
Menut, Molangui, et al., 1995
Menut, C.; Molangui, T.; Lamaty, G.E.; Bessière, J.-M.; Habimana, J.-B. Menut.; Molangui, T.; Lamaty, G.E.; Bessière, J.-M.; Habimana, J.-B.,
Aromatic plants of tropical Central Africa. 23. Chemical composition of leaf essential oils of Eucalyptus goniocalyx F. Muell. and Eucalyptus patens Benth. grown in Rwanda,
J. Agric. Food Chem., 1995, 43, 5, 1267-1271, https://doi.org/10.1021/jf00053a026
. [all data]
Notes
Go To: Top, Kovats' 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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