Benzene, 1-methyl-4-(1,2,2-trimethylcyclopentyl)-, (R)-
- Formula: C15H22
- Molecular weight: 202.3352
- IUPAC Standard InChI: InChI=1S/C15H22/c1-12-6-8-13(9-7-12)15(4)11-5-10-14(15,2)3/h6-9H,5,10-11H2,1-4H3/t15-/m0/s1
- 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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- Other data available:
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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-5 MS | DB-5 | CP-Sil 5 CB | BP-1 | HP-5 MS |
| Column length (m) | 30. | 30. | 30. | 50. | 30. |
| Carrier gas | Helium | Nitrogen | Nitrogen | Helium | Helium |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.22 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | |
| Tstart (C) | 60. | 60. | 50. | 60. | 50. |
| Tend (C) | 270. | 250. | 200. | 220. | 280. |
| Heat rate (K/min) | 3. | 4. | 5. | 2. | 4. |
| Initial hold (min) | 1. | ||||
| Final hold (min) | 10. | 20. | |||
| I | 1501. | 1506. | 1515. | 1507. | 1508. |
| Reference | Cui, Yang, et al., 2011 | Yousefzadi, Heidari, et al., 2011 | Hnawia, Menut, et al., 2009 | Ottavioli, Bighelli, et al., 2009 | Zhao, Zeng, et al., 2009 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | ZB-5 | HP-5 MS | CP Sil 5 CB | DB-5 | HP-5MS |
| Column length (m) | 30. | 30. | 25. | 30. | 25. |
| Carrier gas | Helium | He | Helium | He | |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | ||
| Tstart (C) | 60. | 60. | 80. | 60. | 50. |
| Tend (C) | 220. | 280. | 270. | 260. | 250. |
| Heat rate (K/min) | 4. | 3. | 10. | 3. | 3. |
| Initial hold (min) | 5. | 3. | |||
| Final hold (min) | 20. | 10. | |||
| I | 1502. | 1505. | 1498. | 1500. | 1502. |
| Reference | Mohottalage, Tabacchi, et al., 2007 | Vagionas, Graikou, et al., 2007 | Ayoub, Al-Azizi, et al., 2006 | Javidnia, Miri, et al., 2006 | Ghasemi Y., Faridi P., et al., 2005 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-1 | HP-5 | CP Sil 5 CB | HP-5 | DB-5 |
| Column length (m) | 60. | 60. | 30. | 30. | 30. |
| Carrier gas | He | He | He | Helium | He |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.32 | 0.25 | 0.32 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 50. | 30. | 40. | 40. | 40. |
| Tend (C) | 250. | 260. | 220. | 250. | 250. |
| Heat rate (K/min) | 4. | 2. | 4. | 5. | 5. |
| Initial hold (min) | 5. | 2. | 1. | 2. | 2. |
| Final hold (min) | 28. | 5. | 10. | ||
| I | 1501. | 1512.1 | 1505. | 1488. | 1488. |
| Reference | Khajeh, Yamini, et al., 2005 | Leffingwell and Alford, 2005 | Rohloff and Bones, 2005 | N/A | Wu, Krings, et al., 2005 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-5 | DB-1 | DB-5 | DB-5 | DB-1 |
| Column length (m) | 30. | 30. | 30. | 30. | |
| Carrier gas | He | He | He | He | |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | |
| Tstart (C) | 35. | 60. | 60. | 65. | 80. |
| Tend (C) | 280. | 250. | 240. | 300. | 220. |
| Heat rate (K/min) | 4. | 4. | 3. | 4. | 6. |
| Initial hold (min) | 2. | 10. | 2. | ||
| Final hold (min) | 15. | ||||
| I | 1515. | 1509. | 1504. | 1513. | 1491. |
| Reference | Krauze-Baranowska, Mardarowicz, et al., 2002 | Norouzi-Arasi, Yavari, et al., 2002 | El-Sakhawy, El-Tantawy, et al., 1998 | Elias, Simoneit, et al., 1997 | Salgueiro, Vila, et al., 1997 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary |
|---|---|---|
| Active phase | Methyl Silicone | Methyl Silicone |
| Column length (m) | 50. | 50. |
| Carrier gas | N2 | N2 |
| Substrate | ||
| Column diameter (mm) | 0.25 | 0.25 |
| Phase thickness (μm) | 0.17 | 0.17 |
| Tstart (C) | 80. | 80. |
| Tend (C) | 200. | 200. |
| Heat rate (K/min) | 2. | 3. |
| Initial hold (min) | ||
| Final hold (min) | ||
| I | 1518. | 1520. |
| Reference | Gopalakrishnan, Menon, et al., 1993 | Gopalakrishnan, Menon, et al., 1993 |
| 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.
Cui, Yang, et al., 2011
Cui, J.; Yang, X.; Dong, A.-J.; Cheng, D.-Y.; Wang, J.; Zhao, H.-T.; Xu, R.-B.; Wang, P.; Li, W.-J.,
Chemical composition and antioxidant activity of Wuphorbia fischeriana essential oil from China,
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in vitro cytotoxic activity of the essential oil of Dorema ammoniacum D. Don.,
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Hnawia, Menut, et al., 2009
Hnawia, E.; Menut, C.; Agrebi, A.; Cabalion, P.,
Wood essential oil of two endemic trees from New Caledonia: Callitris sulcata (Parl.) Schltr. and Callitris neocaledonica Dummer,
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Ottavioli, Bighelli, et al., 2009
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GC (retention indices), GC-MS, and 13C NMR of two citral-rich Cymbopogon leaf oils: C. Flexuosus and C. tortilis,
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Mohottalage, Tabacchi, et al., 2007
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Components from Sri Lankan Piper betle L. leaf oil and their analogues showing toxicity against the housefly, Musca domestica,
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Vagionas, Graikou, et al., 2007
Vagionas, K.; Graikou, K.; Ngassapa, O.; Runyoro, D.; Chinou, I.,
Composition and antimicrobial activity of the essential oils of three Satureja species growing in Tansania,
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Ayoub, Al-Azizi, et al., 2006
Ayoub, N.; Al-Azizi, M.; König, W.; Kubeczka, K.-H.,
Essential oils and a novel polyacetylene from Eryngium yuccifolium Michaux. (Apiaceae),
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Javidnia, Miri, et al., 2006
Javidnia, K.; Miri, R.; Kamalinejad, M.; Mehdipour, A.R.,
Composition of the essential oil of Diplotaenia cachrydifolia Boiss. from Iran,
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Ghasemi Y., Faridi P., et al., 2005
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Ferula gummosa fruits: An aromatic antimicrobial agent,
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Khajeh, Yamini, et al., 2005
Khajeh, M.; Yamini, Y.; Bahramifar, N.; Sefidkon, F.; Reza Pirmoradei, M.,
Comparison of essential oils compositions of Ferula assa-foetida obtained by supercritical carbon dioxide extraction and hydrodistillation methods,
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Leffingwell and Alford, 2005
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Volatile constituents of Perique tobacco,
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Rohloff and Bones, 2005
Rohloff, J.; Bones, A.M.,
Volatile profiling of Arabidopsis thaliana - Putative olfactory compounds in plant communication,
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Wu, Krings, et al., 2005
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Krauze-Baranowska, Mardarowicz, et al., 2002
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Norouzi-Arasi, Yavari, et al., 2002
Norouzi-Arasi, H.; Yavari, I.; Ghaffarzadeh, F.; Mortazavi, M.-S.,
Volatile constituents of Cymbopogon olivieri (Boiss.) Bor from Iran,
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El-Sakhawy, El-Tantawy, et al., 1998
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Composition and antimicrobial activity of the essential oil of Murraya exotica L.,
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Gopalakrishnan, M.; Menon, N.; Padmakumari, K.P.; Jayalekshmy, A.; Narayanan, C.S.,
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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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