(1R,3aS,4aS,8aS)-1,4,4,6-Tetramethyl-1,2,3,3a,4,4a,7,8-octahydrocyclopenta[1,4]cyclobuta[1,2]benzene
- Formula: C15H24
- Molecular weight: 204.3511
- IUPAC Standard InChI: InChI=1S/C15H24/c1-10-7-8-15-11(2)5-6-12(15)14(3,4)13(15)9-10/h9,11-13H,5-8H2,1-4H3
- IUPAC Standard InChIKey: BWAXOYJGXIEEOE-UHFFFAOYSA-N
- CAS Registry Number: 94535-52-1
- Chemical structure:
This structure is also available as a 2d Mol file - Stereoisomers:
- Other names: Cyclopenta[1,4]cyclobuta[1,2]benzene, 1,2,3,3a,4,4a,7,8-octahydro-1,4,4,6-tetramethyl-, (1R,3aS,4aS,8aS)-rel-(-)-; Cyclopenta[1,4]cyclobuta[1,2]benzene, 1,2,3,3a,4,4a,7,8-octahydro-1,4,4,6-tetramethyl-, (1α,3aα,4aβ,8aS*)-(-)-; (-)-Italicene; Italicene
- Permanent link for this species. Use this link for bookmarking this species for future reference.
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Gas Chromatography
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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
Kovats' RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5MS | 1409. | Asuming, Beauchamp, et al., 2005 | 30. m/0.25 mm/0.25 μm, He, 50. C @ 10. min, 3. K/min, 250. C @ 5. min |
| Capillary | DB-5 | 1403. | Lucero, Estell, et al., 2003 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C |
| Capillary | DB-5 | 1439. | Buchin, Salmon, et al., 2002 | 60. m/0.32 mm/1. μm, He, 40. C @ 5. min, 3. K/min, 230. C @ 2. min |
| Capillary | HP-5MS | 1401. | Roussis, Tsoukatou, et al., 2000 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 280. C |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5 | 1404. | Flamini, Tebano, et al., 2007 | 30. m/0.25 mm/0.25 μm, N2, 50. C @ 10. min, 5. K/min; Tend: 220. C |
| Capillary | DB-5 | 1403. | Maccioni, Baldini, et al., 2007 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 240. C |
| Capillary | RTX-1 | 1404. | Cavalli, Tomi, et al., 2006 | 60. m/0.22 mm/0.25 μm, He, 2. K/min, 230. C @ 45. min; Tstart: 60. C |
| Capillary | BP-1 | 1408. | Duquesnoy, Dinh, et al., 2006 | 50. m/0.22 mm/0.25 μm, He, 2. K/min, 220. C @ 20. min; Tstart: 60. C |
| Capillary | RTX-1 | 1400. | Paolini J., Desjobert J.M., et al., 2006 | 60. m/0.22 mm/0.25 μm, He, 2. K/min, 230. C @ 35. min; Tstart: 60. C |
| Capillary | BP-1 | 1407. | Bianchini, Tomi, et al., 2003 | 50. m/0.22 mm/0.25 μm, He, 2. K/min, 230. C @ 35. min; Tstart: 60. C |
| Capillary | BP-1 | 1407. | Bianchini, Tomi, et al., 2003 | 50. m/0.22 mm/0.25 μm, He, 2. K/min, 230. C @ 35. min; Tstart: 60. C |
| Capillary | HP-5 | 1397. | Skaltsa, Demetzos, et al., 2003 | 30. m/0.25 mm/0.25 μm, He, 60. C @ 5. min, 4. K/min; Tend: 280. C |
| Capillary | BP-1 | 1407. | Bianchini, Tomi, et al., 2001 | 50. m/0.22 mm/0.25 μm, He, 2. K/min, 230. C @ 35. min; Tstart: 60. C |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5MS | 1414.6 | Andriamaharavo, 2014 | 30. m/0.25 mm/0.25 μm, He; Program: 60C (1 min) => 5 C/min => 210C => 10 C/min => 280C (15 min) |
| Capillary | BPX-5 | 1420. | Cardeal, da Silva, et al., 2006 | 30. m/0.25 mm/0.25 μm; Program: 35C(5min) => 3C/min => 210C => 40C/min => 240C (4min) |
Van Den Dool and Kratz RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | RTX-Wax | 1543. | Cavalli, Tomi, et al., 2006 | 60. m/0.22 mm/0.25 μm, He, 2. K/min, 230. C @ 45. min; Tstart: 60. C |
| Capillary | BP-20 | 1542. | Duquesnoy, Dinh, et al., 2006 | 50. m/0.22 mm/0.25 μm, He, 2. K/min, 220. C @ 20. min; Tstart: 60. C |
| Capillary | RTX-Wax | 1517. | Paolini J., Desjobert J.M., et al., 2006 | 60. m/0.22 mm/0.25 μm, He, 2. K/min, 230. C @ 35. min; Tstart: 60. C |
| Capillary | BP-20 | 1536. | Bianchini, Tomi, et al., 2003 | 50. m/0.22 mm/0.25 μm, He, 2. K/min, 230. C @ 35. min; Tstart: 60. C |
| Capillary | BP-20 | 1536. | Bianchini, Tomi, et al., 2003 | 50. m/0.22 mm/0.25 μm, He, 2. K/min, 230. C @ 35. min; Tstart: 60. C |
| Capillary | BP-20 | 1536. | Bianchini, Tomi, et al., 2001 | 50. m/0.22 mm/0.25 μm, He, 2. K/min, 230. C @ 35. min; Tstart: 60. C |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-5 | 1414. | Yousefzadi, Heidari, et al., 2011 | Nitrogen, 60. C @ 1. min, 4. K/min, 250. C @ 10. min; Column length: 30. m; Column diameter: 0.25 mm |
| Capillary | HP-5 | 1400. | Yassa and Akhani, 2008 | 30. m/0.25 mm/0.32 μm, Helium, 60. C @ 30. min, 5. K/min; Tend: 250. C |
| Capillary | CP Sil 5 CB | 1415. | Baran, von Reuss, et al., 2007 | 30. m/0.32 mm/0.25 μm, N2, 4. K/min; Tstart: 60. C; Tend: 300. C |
| Capillary | HP-5MS | 1397. | Basta, Pavlovic, et al., 2007 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 280. C |
| Capillary | DB-5 | 1398. | Miyazawa and Tamura, 2007 | 30. m/0.25 mm/0.25 μm, He, 2. K/min; Tstart: 60. C; Tend: 240. C |
| Capillary | HP-5 | 1400. | Yassa and Akhani, 2007 | 30. m/0.25 mm/0.32 μm, He, 60. C @ 30. min, 5. K/min; Tend: 250. C |
| Capillary | DB-5 | 1402. | Lopez Arze, Collin, et al., 2004 | 30. m/0.25 mm/0.25 μm, 40. C @ 2. min, 2. K/min, 210. C @ 33. min |
| Capillary | DB-5 | 1400. | Senatore, Rigano, et al., 2004 | 30. m/0.25 mm/0.25 μm, He, 40. C @ 5. min, 2. K/min, 250. C @ 20. min |
| Capillary | DB-5 | 1404. | da Silva, Luz, et al., 2003 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 240. C |
| Capillary | DB-5 | 1404. | Krauze-Baranowska, Mardarowicz, et al., 2002 | 30. m/0.25 mm/0.25 μm, He, 35. C @ 2. min, 4. K/min, 280. C @ 15. min |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5 MS | 1403. | Payo, Colo, et al., 2011 | Program: not specified |
| Capillary | HP-5 MS | 1404. | Payo, Colo, et al., 2011 | Program: not specified |
| Capillary | HP-5 | 1407. | Custer, 2009 | 25. m/0.32 mm/0.17 μm, Helium; Program: 60 0C (5 min) 4 0C/min -> 220 0C 11 0C/min -> 280 0C (15 min) |
| Capillary | HP-5 | 1405. | Custer, 2009 | 25. m/0.32 mm/0.17 μm, Helium; Program: not specified |
| Capillary | HP-5MS | 1402. | Cole, Haber, et al., 2007 | 30. m/0.25 mm/0.25 μm, He; Program: 40C(10min) => 3C/min => 200C => 2C/min => 220C |
| Capillary | CP Sil 8 CB | 1401. | Judpentienë and Mockutë, 2004 | 50. m/0.32 mm/0.25 μm, He; Program: 60C(2min) => 5C/min => 160C(1min) => 10C/min => 250C (5min) |
| Capillary | DB-5 | 1406. | Letchamo, Ward, et al., 2004 | 30. m/0.25 mm/0.25 μm, He; Program: 60C(4min) => 6C/min => 240 => 10C/min => 280C |
Normal alkane RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Supelcowax-10 | 1489. | Lopez Arze, Collin, et al., 2004 | 30. m/0.25 mm/0.25 μm, 40. C @ 2. min, 2. K/min, 210. C @ 33. min |
| Capillary | Innowax FSC | 1557. | Lourens, Reddy, et al., 2004 | Helium, 60. C @ 10. min, 4. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 220. C |
References
Go To: Top, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Asuming, Beauchamp, et al., 2005
Asuming, W.A.; Beauchamp, P.S.; Descalzo, J.T.; Dev, B.C.; Dev, V.; Frost, S.; Ma, C.W.,
Essential oil composition of four Lomatium Raf. species and their chemotaxonomy,
Biochem. Syst. Ecol., 2005, 33, 1, 17-26, https://doi.org/10.1016/j.bse.2004.06.005
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Lucero, Estell, et al., 2003
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The essential oil composition of Psorothamnus scoparius (A. Gray) Rydb.,
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Buchin, Salmon, et al., 2002
Buchin, S.; Salmon, J.-C.; Carnat, A.-P.; Berger, T.; Bugaud, C.; Bosset, J.O.,
Identification de composés monoterpéniques, sesquiterpéniques et benzéniques dans un lait d'alpage très riche en ces substances,
Mitt. Lebensmittelunters. Hyg., 2002, 93, 199-216. [all data]
Roussis, Tsoukatou, et al., 2000
Roussis, V.; Tsoukatou, M.; Petrakis, P.V.; Chinou, I.; Skoula, M.; Harborne, J.B.,
Volatile constituents of four Helichrysum species growing in Greece,
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Flamini, Tebano, et al., 2007
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Volatiles emission patterns of different plant organs and pollen of Citrus limon,
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Maccioni, Baldini, et al., 2007
Maccioni, S.; Baldini, R.; Luigi Cioni, P.; Tebano, M.; Flamini, G.,
In vivo volatiles emission and essential oils from different organs and pollen of Cistus albidus from Caprione (Eastern Liguria, Italy),
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Cavalli, Tomi, et al., 2006
Cavalli, J.-F.; Tomi, F.; Bernardini, A.-F.; Casanova, J.,
Chemical variability of the essential oil of Helichrysum faradifani Sc. Ell. from Madagascar,
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Duquesnoy, Dinh, et al., 2006
Duquesnoy, E.; Dinh, N.H.; Castola, V.; Casanova, J.,
Composition of a Pyrolytic oil from Cupressus funebris Endl. of Vietnamese origin,
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Paolini J., Desjobert J.M., et al., 2006
Paolini J.; Desjobert J.M.; Costa J.; Bernardini A.F.; Castellini C.B.; Cioni P.L.; Flamini G.; Morelli I.,
Composition of essential oils of Helichrysum italicum (Roth) G. Don fil subsp. italicum from Tuscan archipelago islands,
Flavour Fragr. J., 2006, 21, 5, 805-808, https://doi.org/10.1002/ffj.1726
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Bianchini, Tomi, et al., 2003
Bianchini, A.; Tomi, P.; Bernardini, A.F.; Morelli, I.; Flamini, G.; Cioni, P.L.; Usai, M.; Marchetti, M.,
A comparative study of volatile constituents of two Helichrysum italicum (Roth) Guss. Don Fil subspecies growing in Corsica (France), Tuscany and Sardinia (Italy),
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Skaltsa, Demetzos, et al., 2003
Skaltsa, H.D.; Demetzos, C.; Lazari, D.; Sokovic, M.,
Essential oil analysis and antimicrobial activity of eight Stachys species from Greece,
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Bianchini, Tomi, et al., 2001
Bianchini, A.; Tomi, P.; Costa, J.; Bernardini, A.F.,
Composition of Helichrysum italicum (Roth) G. Don fil. subsp. italicum essential oils from Corsica (France),
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Andriamaharavo, 2014
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Cardeal, da Silva, et al., 2006
Cardeal, Z.L.; da Silva, M.D.R.G.; Marriott, P.J.,
Comprehensive two-dimensional gas chromatography/mass spectrometric analysis of pepper volatiles,
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Yousefzadi, Heidari, et al., 2011
Yousefzadi, M.; Heidari, M.; Akbarpour, M.; Mirjalili, M.H.; Zainali, A.; Parsa, M.,
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Yassa and Akhani, 2008
Yassa, N.; Akhani, H.,
The essential oils composition in two species of the genus Eriocycla Lindl. (Apiaceae) from Iran, 2008, retrieved from http://biology.ut.ac.ir/members/akhani/PdfReprintNumber/27.pdf. [all data]
Baran, von Reuss, et al., 2007
Baran, S.; von Reuss, S.H.; König, W.A.; Kalemba, D.,
Composition of the essential oil of Abies koreana Wils.,
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Basta, Pavlovic, et al., 2007
Basta, A.; Pavlovic, M.; Couladis, M.; Tzakou, O.,
Essential oil composition of the flowerheads of Chrysanthemum coronarium L. from Greece,
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Miyazawa and Tamura, 2007
Miyazawa, M.; Tamura, N.,
Components of the essential oil from sprouts of Polygonum hydropiper L. ('Benitade'),
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Yassa and Akhani, 2007
Yassa, N.; Akhani, H.,
The essential oils composition in two species of the genus Eriocycla Lindl. (Apiaceae) from Iran, 2007, retrieved from http://biology.ut.ac.ir/members/akhani/PdfReprintNumber/27.pdf. [all data]
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Lopez Arze, J.B.; Collin, G.; Garneau, F.-X.; Jean, F.-I.; Gagnon, H.,
Essential oils from Bolivia. II. Asteraceae: Ophryosporus heptanthus (Wedd.) H. Rob. et King,
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Composition of the essential oil from flowerheads of Chrysanthemum coronarium L. (Asteraceae) growing wild in Southern Italy,
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da Silva, Luz, et al., 2003
da Silva, J.D.; Luz, A.I.R.; da Silva, M.H.L.; Andrade, E.H.A.; Soghbi, M.G.B.; Maia, J.G.S.,
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Krauze-Baranowska, Mardarowicz, et al., 2002
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Payo, Colo, et al., 2011
Payo, D.A.; Colo, J.; Calumpong, H.; de Clerck, O.,
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Cole, Haber, et al., 2007
Cole, R.A.; Haber, W.A.; Setzer, W.N.,
Chemical composition of essential oils of seven species of Eugenia from Monteverde, Costa Rica,
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Judpentienë and Mockutë, 2004
Judpentienë, A.; Mockutë, D.,
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Letchamo, Ward, et al., 2004
Letchamo, W.; Ward, W.; Heard, B.; Heard, D.,
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Lourens, Reddy, et al., 2004
Lourens, A.C.U.; Reddy, D.; Baser, K.H.C.; Viljoen, A.M.; Van Vuuren, S.F.,
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. [all data]
Notes
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