Benzene, 1-methyl-4-(1,2,2-trimethylcyclopentyl)-, (R)-
- Formula: C15H22
- Molecular weight: 202.3352
- IUPAC Standard InChIKey: SLKPBCXNFNIJSV-HNNXBMFYSA-N
- CAS Registry Number: 16982-00-6
- Chemical structure:
This structure is also available as a 2d Mol file - Stereoisomers:
- Other names: Toluene, p-(1,2,2-trimethylcyclopentyl)-, (R)-(+)-; (+)-Cuparene; (R)-Cuparene; Cuparene; Cuparene, (+)-; 1-Methyl-4-(1,2,2-trimethylcyclopentyl)benzene; (R)-(+)-p-(1,2,2-trimethylcyclopentyl)toluene
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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 | RTX-1 | ZB-5 | HP-5MS | DB-5 | BP-1 |
Column length (m) | 60. | 30. | 30. | 30. | 50. |
Carrier gas | He | He | He | He | He |
Substrate | |||||
Column diameter (mm) | 0.22 | 0.25 | 0.25 | 0.25 | 0.22 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Tstart (C) | 60. | 50. | 80. | 60. | 60. |
Tend (C) | 230. | 250. | 300. | 240. | 220. |
Heat rate (K/min) | 2. | 3. | 4. | 3. | 2. |
Initial hold (min) | |||||
Final hold (min) | 35. | 20. | |||
I | 1496. | 1505. | 1511.6 | 1505. | 1502. |
Reference | Paolini J., Costa J., et al., 2007 | Simoniatto, Bonani, et al., 2007 | Zeng, Zhao, et al., 2007 | Block, Flamini, et al., 2006 | Duquesnoy, Dinh, et al., 2006 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | BP-1 | DB-1 | CP Sil 5 CB | CP Sil 5 CB | HP-5 |
Column length (m) | 50. | 30. | 25. | 25. | 30. |
Carrier gas | He | N2 | H2 | He | He |
Substrate | |||||
Column diameter (mm) | 0.22 | 0.25 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.4 | 0.25 | |
Tstart (C) | 60. | 50. | 80. | 80. | 60. |
Tend (C) | 220. | 220. | 270. | 270. | 260. |
Heat rate (K/min) | 2. | 4. | 10. | 10. | 3. |
Initial hold (min) | |||||
Final hold (min) | 20. | ||||
I | 1508. | 1504. | 1498. | 1498. | 1501. |
Reference | Gonny, Cavaleiro, et al., 2006 | Kuiate, Bessière, et al., 2006 | Ziegenbein, Hanssen, et al., 2006 | Ziegenbein, Hanssen, et al., 2006, 2 | Javidnia, Miri, et al., 2005 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|
Active phase | DB-5 | HP-5 | HP-1 | HP-5MS |
Column length (m) | 30. | 30. | 24. | 30. |
Carrier gas | He | He | He | He |
Substrate | ||||
Column diameter (mm) | 0.25 | 0.25 | 0.32 | 0.25 |
Phase thickness (μm) | 0.26 | 0.25 | 0.17 | 0.25 |
Tstart (C) | 60. | 60. | 60. | 60. |
Tend (C) | 210. | 280. | 250. | 280. |
Heat rate (K/min) | 3. | 4. | 4. | 4. |
Initial hold (min) | 5. | 2. | 5. | |
Final hold (min) | 20. | |||
I | 1509. | 1498. | 1488. | 1502. |
Reference | Sati and Mathela, 2005 | Skaltsa, Demetzos, et al., 2003 | Nath, Sarma, et al., 2002 | Skaltsa, Mavrommati, et al., 2001 |
Comment | MSDC-RI | MSDC-RI | 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.
Paolini J., Costa J., et al., 2007
Paolini J.; Costa J.; Bernardini A.F.,
Analysis of the essential oil from the roots of Eupatorium cannabinum subsp corsicum (L.) by GC, GC-MS and C-13-NMR,
Phytochem. Anal., 2007, 18, 3, 235-244, https://doi.org/10.1002/pca.977
. [all data]
Simoniatto, Bonani, et al., 2007
Simoniatto, E.; Bonani, V.F.L.; Morel, A.F.; Poppi, N.R.; Raposo, J.L., Jr.; Stuker, C.Z.; Peruzzo, G.M.; Peres, M.T.L.P.; Hess, S.C.,
Chemical composition and evaluation of antibacterial and antioxidant activities of the essential oil of Croton urucurana Baillon (Euphorbiaceae) stem bark,
J. Braz. Chem., 2007, 18, 5, 879-885, https://doi.org/10.1590/S0103-50532007000500002
. [all data]
Zeng, Zhao, et al., 2007
Zeng, Y.-X.; Zhao, C.-X.; Liang, Y.-Z.; Yang, H.; Fang, H.-Z.; Yi, L.-Z.; Zeng, Z.-D.,
Comparative analysis of volatile components from Clematis species growing in China,
Anal. Chim. Acta., 2007, 595, 1-2, 328-339, https://doi.org/10.1016/j.aca.2006.12.022
. [all data]
Block, Flamini, et al., 2006
Block, S.; Flamini, G.; Brkic, D.; Morelli, I.; Quetin-Leclercq, J.,
Analysis of the essential oil from leaves of Croton zambesicus Muell. Arg. growing in Benin,
Flavour Fragr. J., 2006, 21, 2, 222-224, https://doi.org/10.1002/ffj.1558
. [all data]
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,
Flavour Fragr. J., 2006, 21, 3, 453-457, https://doi.org/10.1002/ffj.1676
. [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]
Kuiate, Bessière, et al., 2006
Kuiate, J.R.; Bessière, J.M.; Vilarem, G.; Amvam Zollo, P.H.,
Chemical composition and antidermatophytic properties of the essential oils from leaves, flowers and fruits of Cupressus lusitanica Mill. from Cameroon,
Flavour Fragr. J., 2006, 21, 4, 693-697, https://doi.org/10.1002/ffj.1686
. [all data]
Ziegenbein, Hanssen, et al., 2006
Ziegenbein, F.C.; Hanssen, H.-P.; König, W.A.,
Secondary metabolites from Ganoderma lucidum and Spongiporus leucomallellus,
Phytochemistry, 2006, 67, 2, 202-211, https://doi.org/10.1016/j.phytochem.2005.10.025
. [all data]
Ziegenbein, Hanssen, et al., 2006, 2
Ziegenbein, F.C.; Hanssen, H.-P.; König, W.A.,
Chemical constituents of the essential oils of three wood-rotting fungi,
Flavour Fragr. J., 2006, 21, 5, 813-816, https://doi.org/10.1002/ffj.1732
. [all data]
Javidnia, Miri, et al., 2005
Javidnia, K.; Miri, R.; Kamalinejad, M.; Edraki, N.,
Chemical composition of Ferula persica Wild. essential oil from Iran,
Flavour Fragr. J., 2005, 20, 6, 605-606, https://doi.org/10.1002/ffj.1496
. [all data]
Sati and Mathela, 2005
Sati, S.; Mathela, C.S.,
Essential oil composition of Valeriana hardwickii var. arnottiana from the Himalayas,
Flavour Fragr. J., 2005, 20, 3, 299-301, https://doi.org/10.1002/ffj.1415
. [all data]
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,
Phytochemistry, 2003, 64, 3, 743-752, https://doi.org/10.1016/S0031-9422(03)00386-8
. [all data]
Nath, Sarma, et al., 2002
Nath, S.C.; Sarma, K.K.; Vajezikova, I.; Leclercq, P.A.,
Comparison of volatile inflorescence oils and taxonomy of certain Cymbopogon taxa described as Cymbopogon flexuosus (Nees ex Steud.) Wats.,
Biochem. Syst. Ecol., 2002, 30, 2, 151-162, https://doi.org/10.1016/S0305-1978(01)00066-7
. [all data]
Skaltsa, Mavrommati, et al., 2001
Skaltsa, H.D.; Mavrommati, A.; Constantinidis, T.,
A chemotaxonomic investigation of volatile constituents in Stachys subsect. Swainsonianeae (Labiatae),
Phytochemistry, 2001, 57, 2, 235-244, https://doi.org/10.1016/S0031-9422(01)00003-6
. [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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