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:
- 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 | DB-1 | HP-5MS | CP Sil 5 CB | DB-5 | HP-5 |
Column length (m) | 60. | 30. | 30. | 30. | 30. |
Carrier gas | He | N2 | He | Helium | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.32 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | |
Tstart (C) | 60. | 60. | 50. | 35. | 70. |
Tend (C) | 250. | 280. | 200. | 220. | 210. |
Heat rate (K/min) | 5. | 4. | 5. | 2.5 | 2. |
Initial hold (min) | |||||
Final hold (min) | 6. | 60. | |||
I | 1157. | 1176. | 1160. | 1175. | 1173. |
Reference | Salehi, Fakhari, et al., 2007 | Ebrahim Sajjadi and Mehregan, 2006 | Agnaniet, Menut, et al., 2004 | Rohloff, Mordal, et al., 2004 | Mookdasanit, Tamura, et al., 2003 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP-5 | DB-1 | DB-1 | HP-5 | SPB-Sulfur |
Column length (m) | 30. | 30. | 50. | 30. | 30. |
Carrier gas | He | H2 | N2 | N2 | He |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.32 | 0.25 | 0.25 | 0.32 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 4. |
Tstart (C) | 60. | 40. | 60. | 60. | 45. |
Tend (C) | 280. | 245. | 240. | 220. | 240. |
Heat rate (K/min) | 3. | 3. | 3. | 5. | 5. |
Initial hold (min) | 20. | 10. | 13. | ||
Final hold (min) | 5. | ||||
I | 1162. | 1134. | 1148. | 1175. | 1171. |
Reference | Pitarokili, Tzakou, et al., 2003 | Gancel, Ollé, et al., 2002 | Velasco-Negueruela, Pérez-Alonso, et al., 2002 | Gallori, Flamini, et al., 2001 | Mariaca, Berger, et al., 1997 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary |
---|---|---|
Active phase | RSL-150 | SE-30 |
Column length (m) | 30. | 40. |
Carrier gas | He | |
Substrate | ||
Column diameter (mm) | 0.32 | 0.50 |
Phase thickness (μm) | 0.20 | 0.75 |
Tstart (C) | 30. | 30. |
Tend (C) | 200. | 220. |
Heat rate (K/min) | 3. | 3. |
Initial hold (min) | ||
Final hold (min) | ||
I | 1154. | 1149. |
Reference | Ronse and De Pooter, 1990 | de Pooter, de Buyck, et al., 1989 |
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.
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,
Flavour Fragr. J., 2007, 22, 4, 280-285, https://doi.org/10.1002/ffj.1793
. [all data]
Ebrahim Sajjadi and Mehregan, 2006
Ebrahim Sajjadi, S.; Mehregan, I.,
Volatile constituents of flowers and leaves of Anthemis hyalina,
Chem. Nat. Compd. (Engl. Transl.), 2006, 42, 5, 531-533, https://doi.org/10.1007/s10600-006-0207-2
. [all data]
Agnaniet, Menut, et al., 2004
Agnaniet, H.; Menut, C.; Bessière, J.-M.,
Aromatic plants of tropical central Africa. Part XLIX: chemical composition of essential oils of the leaf and rhizome of Aframomum giganteum K. Schum from Gabon,
Flavour Fragr. J., 2004, 19, 3, 205-209, https://doi.org/10.1002/ffj.1403
. [all data]
Rohloff, Mordal, et al., 2004
Rohloff, J.; Mordal, R.; Dragland, S.,
Chemotypical variation of tansy (Tanacetum vulgare L.) from 40 different locations in Norway,
J. Agric. Food Chem., 2004, 52, 6, 1742-1748, https://doi.org/10.1021/jf0352430
. [all data]
Mookdasanit, Tamura, et al., 2003
Mookdasanit, J.; Tamura, H.; Yoshizawa T.; Tokunaga T.; Nakanishi, K.,
Trace Volatile Compounds in Essential Oil of Citrus Sudachi by Means of Modified Solvent Extraction Method,
Food Sci Technol. Res., 2003, 9, 1, 54-61, https://doi.org/10.3136/fstr.9.54
. [all data]
Pitarokili, Tzakou, et al., 2003
Pitarokili, D.; Tzakou, O.; Loukis, A.; Harvala, C.,
Volatile metabolites from Salvia fruticosa as antifungal agents in soilborne pathogens,
J. Agric. Food Chem., 2003, 51, 11, 3294-3301, https://doi.org/10.1021/jf0211534
. [all data]
Gancel, Ollé, et al., 2002
Gancel, A.-L.; Ollé, D.; Ollitrault, P.; Luro, F.; Brillouet, J.-M.,
Leaf and peel volatile compounds of an interspecific citrus somatic hybrid [Citrus aurantifolia (Christm.) Swing. + Citrus paradisi Macfayden],
Flavour Fragr. J., 2002, 17, 6, 416-424, https://doi.org/10.1002/ffj.1119
. [all data]
Velasco-Negueruela, Pérez-Alonso, et al., 2002
Velasco-Negueruela, A.; Pérez-Alonso, M.J.; Palá-Paúl, J.; Íñigo, A.; López, G.,
Leaf essential oils analysis of Juniperus navicularis Gandoger,
Botanica Complutensis, 2002, 26, 85-91. [all data]
Gallori, Flamini, et al., 2001
Gallori, S.; Flamini, G.; Bilia, A.R.; Morelli, I.; Landini, A.; Vincieri, F.F.,
Chemical composition of some traditional herbal drug preparations: essential oil and aromatic water of costmary (Balsamita suaveolens Pers.),
J. Agric. Food Chem., 2001, 49, 12, 5907-5910, https://doi.org/10.1021/jf0107656
. [all data]
Mariaca, Berger, et al., 1997
Mariaca, R.G.; Berger, T.F.H.; Gauch, R.; Imhof, M.I.; Jeangros, B.; Bosset, J.O.,
Occurrence of volatile mono- and sesquiterpenoids in highland and lowland plant species as possible precursors for flavor compounds in milk and dairy products,
J. Agric. Food Chem., 1997, 45, 11, 4423-4434, https://doi.org/10.1021/jf970216t
. [all data]
Ronse and De Pooter, 1990
Ronse, A.C.; De Pooter, H.L.,
Essential Oil Production by Belgian Artemisia alba (Turra) before and after Micropropagation,
J. Essent. Oil Res., 1990, 2, 5, 237-242, https://doi.org/10.1080/10412905.1990.9697873
. [all data]
de Pooter, de Buyck, et al., 1989
de Pooter, H.L.; de Buyck, L.F.; Schamp, N.M.; Billiet, F.; De Bruyn, A.,
The volatile fraction of Otacanthus coeruleus Lindl. Containing the new copaene derivative β-copaen-4α-ol,
Flavour Fragr. J., 1989, 4, 2, 47-51, https://doi.org/10.1002/ffj.2730040202
. [all data]
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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