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
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
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Mass spectrum (electron ionization)
Go To: Top, Gas Chromatography, 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
Spectrum
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Additional Data
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| Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
|---|---|
| Origin | Chemical Concepts |
| NIST MS number | 162764 |
Gas Chromatography
Go To: Top, Mass spectrum (electron ionization), 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
Kovats' RI, non-polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Packed | SF-96 | 170. | 1516. | Andersen, Bissonette, et al., 1977 | Column length: 7.3 m |
| Packed | SF-96 | 170. | 1515. | Andersen, Bissonette, et al., 1977 | Column length: 7.3 m |
Kovats' RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-5 | 1505. | Adams, Morris, et al., 2005 | 30. m/0.26 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 246. C |
| Capillary | DB-5MS | 1504. | Palmeira, Moura, et al., 2004 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 240. C |
| Capillary | BP-1 | 1503. | Raina, Lal, et al., 2002 | 60. m/0.32 mm/0.25 μm, N2, 5. K/min; Tstart: 60. C; Tend: 220. C |
| Capillary | DB-5 | 1502. | Adams, 1999 | 30. m/0.26 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 246. C |
Kovats' RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | SF-96 | 1506. | Malingré and Maarse, 1974 | Column length: 150. m; Column diameter: 0.75 mm; Program: not specified |
Kovats' RI, polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Packed | Carbowax 20M | 150. | 1838. | Andersen, Bissonette, et al., 1977 | Column length: 7.3 m |
| Packed | Carbowax 20M | 150. | 1838. | Andersen, Bissonette, et al., 1977 | Column length: 7.3 m |
| Capillary | Carbowax 20M | 130. | 1811. | Malingré and Maarse, 1974 | Column length: 150. m; Column diameter: 0.75 mm |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | RTX-1 | 1496. | Paolini J., Costa J., et al., 2007 | 60. m/0.22 mm/0.25 μm, He, 2. K/min, 230. C @ 35. min; Tstart: 60. C |
| Capillary | ZB-5 | 1505. | Simoniatto, Bonani, et al., 2007 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 50. C; Tend: 250. C |
| Capillary | HP-5MS | 1511.6 | Zeng, Zhao, et al., 2007 | 30. m/0.25 mm/0.25 μm, He, 4. K/min; Tstart: 80. C; Tend: 300. C |
| Capillary | DB-5 | 1505. | Block, Flamini, et al., 2006 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 240. C |
| Capillary | BP-1 | 1502. | 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 | BP-1 | 1508. | Gonny, Cavaleiro, et al., 2006 | 50. m/0.22 mm/0.25 μm, He, 2. K/min, 220. C @ 20. min; Tstart: 60. C |
| Capillary | DB-1 | 1504. | Kuiate, Bessière, et al., 2006 | 30. m/0.25 mm/0.25 μm, N2, 4. K/min; Tstart: 50. C; Tend: 220. C |
| Capillary | CP Sil 5 CB | 1498. | Ziegenbein, Hanssen, et al., 2006 | H2, 10. K/min; Column length: 25. m; Column diameter: 0.25 mm; Tstart: 80. C; Tend: 270. C |
| Capillary | CP Sil 5 CB | 1498. | Ziegenbein, Hanssen, et al., 2006, 2 | 25. m/0.25 mm/0.4 μm, He, 10. K/min; Tstart: 80. C; Tend: 270. C |
| Capillary | HP-5 | 1501. | Javidnia, Miri, et al., 2005 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 260. C |
| Capillary | DB-5 | 1509. | Sati and Mathela, 2005 | 30. m/0.25 mm/0.26 μm, He, 3. K/min; Tstart: 60. C; Tend: 210. C |
| Capillary | HP-5 | 1498. | 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 | HP-1 | 1488. | Nath, Sarma, et al., 2002 | 24. m/0.32 mm/0.17 μm, He, 60. C @ 2. min, 4. K/min, 250. C @ 20. min |
| Capillary | HP-5MS | 1502. | Skaltsa, Mavrommati, et al., 2001 | 30. m/0.25 mm/0.25 μm, He, 60. C @ 5. min, 4. K/min; Tend: 280. C |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5MS | 1516.8 | 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 | 1518. | Cardeal, da Silva, et al., 2006 | 30. m/0.25 mm/0.25 μm; Program: 35C(5min) => 3C/min => 210C => 40C/min => 240C (4min) |
| Capillary | 5 % Phenyl methyl siloxane | 1505. | Sacchetti, Maietti, et al., 2005 | 30. m/0.32 mm/0.15 μm, He; Program: 45C => 1C/min => 100C => 5C/min => 250C (10min) |
Van Den Dool and Kratz RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | RTX-Wax | 1804. | Paolini J., Costa J., et al., 2007 | 60. m/0.22 mm/0.25 μm, He, 2. K/min, 230. C @ 35. min; Tstart: 60. C |
| Capillary | BP-20 | 1819. | 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 | BP-20 | 1825. | Gonny, Cavaleiro, et al., 2006 | 50. m/0.22 mm/0.25 μm, He, 2. K/min, 220. C @ 20. min; Tstart: 60. C |
| Capillary | CP-Wax 52CB | 1776. | Kjeldsen, Christensen, et al., 2003 | 50. m/0.25 mm/0.2 μm, He, 32. C @ 1. min, 1. K/min; Tend: 220. C |
Normal alkane RI, non-polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Capillary | DB-5 | 25. | 1502. | Hemmateenejad, Jawadnia, et al., 2007 |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-5 MS | 1501. | Cui, Yang, et al., 2011 | 30. m/0.25 mm/0.25 μm, Helium, 3. K/min; Tstart: 60. C; Tend: 270. C |
| Capillary | DB-5 | 1506. | 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 | CP-Sil 5 CB | 1515. | Hnawia, Menut, et al., 2009 | 30. m/0.25 mm/0.25 μm, Nitrogen, 5. K/min; Tstart: 50. C; Tend: 200. C |
| Capillary | BP-1 | 1507. | Ottavioli, Bighelli, et al., 2009 | 50. m/0.22 mm/0.25 μm, Helium, 2. K/min, 220. C @ 20. min; Tstart: 60. C |
| Capillary | HP-5 MS | 1508. | Zhao, Zeng, et al., 2009 | 30. m/0.25 mm/0.25 μm, Helium, 4. K/min; Tstart: 50. C; Tend: 280. C |
| Capillary | ZB-5 | 1502. | Mohottalage, Tabacchi, et al., 2007 | 30. m/0.25 mm/0.25 μm, 60. C @ 5. min, 4. K/min, 220. C @ 20. min |
| Capillary | HP-5 MS | 1505. | Vagionas, Graikou, et al., 2007 | 30. m/0.25 mm/0.25 μm, Helium, 3. K/min; Tstart: 60. C; Tend: 280. C |
| Capillary | CP Sil 5 CB | 1498. | Ayoub, Al-Azizi, et al., 2006 | He, 10. K/min; Column length: 25. m; Tstart: 80. C; Tend: 270. C |
| Capillary | DB-5 | 1500. | Javidnia, Miri, et al., 2006 | 30. m/0.25 mm/0.25 μm, Helium, 3. K/min; Tstart: 60. C; Tend: 260. C |
| Capillary | HP-5MS | 1502. | Ghasemi Y., Faridi P., et al., 2005 | He, 50. C @ 3. min, 3. K/min, 250. C @ 10. min; Column length: 25. m; Column diameter: 0.25 mm |
| Capillary | DB-1 | 1501. | Khajeh, Yamini, et al., 2005 | 60. m/0.25 mm/0.25 μm, He, 50. C @ 5. min, 4. K/min; Tend: 250. C |
| Capillary | HP-5 | 1512.1 | Leffingwell and Alford, 2005 | 60. m/0.32 mm/0.25 μm, He, 30. C @ 2. min, 2. K/min, 260. C @ 28. min |
| Capillary | CP Sil 5 CB | 1505. | Rohloff and Bones, 2005 | 30. m/0.25 mm/0.25 μm, He, 40. C @ 1. min, 4. K/min; Tend: 220. C |
| Capillary | HP-5 | 1488. | N/A | 30. m/0.32 mm/0.25 μm, Helium, 40. C @ 2. min, 5. K/min, 250. C @ 5. min |
| Capillary | DB-5 | 1488. | Wu, Krings, et al., 2005 | 30. m/0.32 mm/0.25 μm, He, 40. C @ 2. min, 5. K/min, 250. C @ 10. min |
| Capillary | DB-5 | 1515. | 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 |
| Capillary | DB-1 | 1509. | Norouzi-Arasi, Yavari, et al., 2002 | 30. m/0.25 mm/0.25 μm, He, 60. C @ 10. min, 4. K/min; Tend: 250. C |
| Capillary | DB-5 | 1504. | El-Sakhawy, El-Tantawy, et al., 1998 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 240. C |
| Capillary | DB-5 | 1513. | Elias, Simoneit, et al., 1997 | 30. m/0.25 mm/0.25 μm, He, 65. C @ 2. min, 4. K/min; Tend: 300. C |
| Capillary | DB-1 | 1491. | Salgueiro, Vila, et al., 1997 | 6. K/min; Tstart: 80. C; Tend: 220. C |
| Capillary | Methyl Silicone | 1518. | Gopalakrishnan, Menon, et al., 1993 | 50. m/0.25 mm/0.17 μm, N2, 2. K/min; Tstart: 80. C; Tend: 200. C |
| Capillary | Methyl Silicone | 1520. | Gopalakrishnan, Menon, et al., 1993 | 50. m/0.25 mm/0.17 μm, N2, 3. K/min; Tstart: 80. C; Tend: 200. C |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5 | 1498. | Citron, Riclea, et al., 2011 | Program: not specified |
| Capillary | HP-5 | 1511. | Citron, Riclea, et al., 2011 | Program: not specified |
| Capillary | DB-5 | 1517. | Courtois, Paine, et al., 2009 | 30. m/0.25 mm/0.25 μm, Helium; Program: 50 0C m6 0C/min -> 140 0C 5 0C/min -> 160 0C (1 min) 10 0C/min -> 200 0C |
| Capillary | HP-5 MS | 1499. | Sharififar, Mozaffarian, et al., 2007 | 30. m/0.25 mm/0.25 μm, Helium; Program: not specified |
| Capillary | SE-52 | 1500. | Lorenzo, Loayza, et al., 2006 | 25. m/0.32 mm/0.42 μm, H2; Program: 60C(8min) => 3C/min => 180C => 20C/min => 250C (10min) |
| Capillary | HP-5MS | 1523. | Demyttenaere, Moriña, et al., 2004 | 30. m/0.25 mm/0.25 μm, He; Program: 40C (2min) => 10C/min => 200C => 15C/min => 250C (5min) |
| Capillary | HP-5MS | 1523. | Demyttenaere, Moriña, et al., 2004 | 30. m/0.25 mm/0.25 μm, He; Program: 40C (2min) => 10C/min => 200C => 15C/min => 250C (5min) |
| Capillary | OV-1 | 1489. | Hafez and Abdel-Salam, 2004 | 30. m/0.25 mm/0.25 μm, He; Program: 45 0C (4 min) 3 0C/min -> 75 0C 4 0C/min -> 115 0C 6 0C/min -> 312 0C |
| Capillary | DB-5 | 1503. | Hamm, Bleton, et al., 2004 | 30. m/0.25 mm/0.25 μm, He; Program: 40C(1min) => 9C/min => 130C => 2C/min => 230C |
| Capillary | SE-30 | 1510. | Vinogradov, 2004 | Program: not specified |
| Capillary | Methyl Silicone | 1510. | Zenkevich, 1996 | Program: not specified |
Normal alkane RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-Wax | 1825. | Karlsson, Birgersson, et al., 2009 | 30. m/0.25 mm/0.25 μm, Hydrogen, 30. C @ 5. min, 8. K/min, 230. C @ 10. min |
| Capillary | BP-20 | 1830. | Ottavioli, Bighelli, et al., 2009 | 50. m/0.22 mm/0.25 μm, Helium, 2. K/min, 220. C @ 20. min; Tstart: 60. C |
| Capillary | DB-Wax | 1838. | Guo, Wu, et al., 2008 | 30. m/0.25 mm/0.25 μm, Helium, 60. C @ 2. min, 10. K/min, 250. C @ 10. min |
| Capillary | CP-Wax 52CB | 1821. | Rohloff and Bones, 2005 | 30. m/0.32 mm/0.25 μm, He, 40. C @ 1. min, 4. K/min; Tend: 220. C |
| Capillary | ZB-Wax | 1785. | N/A | 30. m/0.32 mm/0.25 μm, Helium, 40. C @ 2. min, 5. K/min, 250. C @ 5. min |
| Capillary | ZB-Wax | 1785. | Wu, Krings, et al., 2005 | 30. m/0.32 mm/0.25 μm, He, 40. C @ 2. min, 5. K/min, 250. C @ 10. min |
| Capillary | TC-Wax | 1803. | Miyazawa, Kurose, et al., 2001 | He, 4. K/min, 250. C @ 47. min; Column length: 60. m; Column diameter: 0.25 mm; Tstart: 80. C |
| Capillary | TC-Wax | 1826. | Shuichi, Masazumi, et al., 1996 | 80. C @ 5. min, 3. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 240. C |
| Capillary | Supelcowax-10 | 1831. | Ramaswami, Briscese, et al., 1988 | 50. C @ 2. min, 4. K/min, 240. C @ 10. min; Column length: 30. m |
| Capillary | Supelcowax-10 | 1831. | Ramaswami, Briscese, et al., 1986 | He, 50. C @ 2. min, 4. K/min, 240. C @ 10. min; Column length: 30. m |
Normal alkane RI, polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Innowax | 1822. | Noorizadeh, Farmany, et al., 2011 | 60. m/0.25 mm/0.33 μm; Program: not specified |
| Capillary | HP Innowax FSP | 1849. | Wedge, Klun, et al., 2009 | 60. m/0.25 mm/0.25 μm, Helium; Program: 60 0C (10 min) 4 0C/min -> 220 0C (10 min) 1 0C/min -> 240 0C (20 min) |
| Capillary | HP-Innowax FSC | 1849. | Sezik E., Kocakulak E., et al., 2005 | 60. m/0.25 mm/0.25 μm, He; Program: 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C |
| Capillary | Carbowax 20M | 1827. | Vinogradov, 2004 | Program: not specified |
| Capillary | Innowax | 1849. | Tunaher, Kirimer, et al., 2003 | 60. m/0.25 mm/0.25 μm, He; Program: 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C (20min) |
| Capillary | Innowax | 1849. | Özcan, Akgül, et al., 2001 | 60. m/0.25 mm/0.25 μm, He; Program: 60C(10min) => 4C/min => 200C(10min) => 1C/min => 240C |
| Capillary | DB-Wax | 1818. | Caldentey, Daria Fumi, et al., 1998 | 30. m/0.25 mm/0.25 μm, He; Program: 25C(8min) => 4C/min => 60C => 6C/min => 160C => 20C/min => 200C |
| Capillary | NB-351 | 1787. | Kerrola and Kallio, 1994 | 25. m/0.32 mm/0.2 μm, He; Program: 35C(5min) => 2.5C/min => 150C => 5C/min => 240C (20min) |
References
Go To: Top, Mass spectrum (electron ionization), Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Andersen, Bissonette, et al., 1977
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Notes
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