Cyclohexane, 1-ethenyl-1-methyl-2,4-bis(1-methylethenyl)-, [1S-(1α,2β,4β)]-
- Formula: C15H24
- Molecular weight: 204.3511
- IUPAC Standard InChIKey: OPFTUNCRGUEPRZ-QLFBSQMISA-N
- CAS Registry Number: 515-13-9
- Chemical structure:
This structure is also available as a 2d Mol file - Stereoisomers:
- Other names: Cyclohexane, 2,4-diisopropenyl-1-methyl-1-vinyl-, (1S,2R,4R)- (-)-; β-Elemene, (-)-; (-)-β-Elemene; β-Elemen; levo-β-Elemene; β-Elemene; β-Elemene enantiomer; 2,4-Diisopropenyl-1-methyl-1-vinylcyclohexane, [1S-(1α,2β,4β)]-; 2,4-Diisopropenyl-1-methyl-1-vinylcyclohexane; 1S-1α,2β,4β-1-Ethenyl-1-methyl-2,4-bis-(1-methylethenyl)cyclohexane; Cyclohexane, 1-ethenyl-1-methyl-2,4-bis(1-methylethenyl)-, (1S,2S,4R)-; beta elemene
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- Other data available:
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Kovats' 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 | HP-5MS | DB-5 | DB-5MS | HP-1 | DB-1 |
Column length (m) | 30. | 30. | 30. | 60. | 25. |
Carrier gas | He | He | He | He | He |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.2 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | |
Tstart (C) | 60. | 60. | 60. | 60. | 60. |
Tend (C) | 280. | 280. | 200. | 220. | |
Heat rate (K/min) | 2. | 3. | 3. | 4. | 3. |
Initial hold (min) | 8. | 5. | 3. | ||
Final hold (min) | 30. | 30. | 25. | ||
I | 1394. | 1392. | 1366. | 1398. | 1402. |
Reference | Hazzit, Baaliouamer, et al., 2006 | Lucero, Fredrickson, et al., 2006 | Marongiu, Porcedda, et al., 2006 | Meccia G., Rosquete C., et al., 2006 | Mevy, Bessiere, et al., 2006 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP-5 | BP-1 | DB-5 | HP-5MS | DB-5MS |
Column length (m) | 25. | 30. | 30. | 30. | 30. |
Carrier gas | N2 | He | He | ||
Substrate | |||||
Column diameter (mm) | 0.2 | 0.32 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 0.33 | 0.25 | 0.25 | 0.25 | 0.25 |
Tstart (C) | 60. | 60. | 40. | 50. | 60. |
Tend (C) | 240. | 220. | 210. | 250. | 240. |
Heat rate (K/min) | 3. | 5. | 2. | 3. | 3. |
Initial hold (min) | 2. | 10. | |||
Final hold (min) | 3. | 33. | 5. | ||
I | 1392. | 1385. | 1389. | 1391. | 1392. |
Reference | Oliveira, Leitao, et al., 2006 | Srivastava, Srivastava, et al., 2006 | Sylvestre, Pichette, et al., 2006 | Asuming, Beauchamp, et al., 2005 | Maia, Andrade, 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-5 | DB-5 | HP-5MS | DB-5 |
Column length (m) | 30. | 30. | 30. | 30. | |
Carrier gas | Helium | 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) | 60. | 60. | 40. | 60. | 60. |
Tend (C) | 255. | 240. | 230. | 200. | 220. |
Heat rate (K/min) | 3. | 3. | 8. | 4. | 4. |
Initial hold (min) | 1. | 4. | |||
Final hold (min) | 4. | 15. | |||
I | 1392. | 1393. | 1393.6 | 1389. | 1391. |
Reference | Medina, Lucero, et al., 2005 | Shatar S., 2005 | Ament K., Kant M.R., et al., 2004 | Juliani, Zygadlo, et al., 2004 | Morteza-Semnani, Azadbakht, et al., 2004 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | CP Sil 5 CB | DB-5 | HP-5MS | DB-1 | SPB-1 |
Column length (m) | 25. | 30. | 30. | 50. | 30. |
Carrier gas | H2 | He | He | N2 | He |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.32 | 0.25 | 0.32 |
Phase thickness (μm) | 0.15 | 0.25 | 0.25 | 0.25 | 0.25 |
Tstart (C) | 50. | 60. | 70. | 95. | 50. |
Tend (C) | 230. | 300. | 250. | 240. | 250. |
Heat rate (K/min) | 3. | 5. | 3. | 4. | 2. |
Initial hold (min) | 5. | 2. | |||
Final hold (min) | 5. | ||||
I | 1396. | 1384. | 1380. | 1386. | 1380. |
Reference | Ogunwande, Olawore, et al., 2004 | Santos, Lopes, et al., 2004 | Siani, Garrido, et al., 2004 | Velasco-Negueruela, Sanz, et al., 2004 | Yadav, Chauhan, et al., 2004 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-5 | HP-5MS | HP-5 | HP-5MS | CP Sil 5 CB |
Column length (m) | 25. | 30. | 30. | 30. | 25. |
Carrier gas | He | He | He | He | H2 |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 1. | 0.25 | 0.15 | |
Tstart (C) | 40. | 50. | 40. | 60. | 50. |
Tend (C) | 280. | 280. | 250. | 280. | 230. |
Heat rate (K/min) | 3. | 4. | 5. | 3. | 3. |
Initial hold (min) | 5. | 2. | 1. | ||
Final hold (min) | 5. | 10. | |||
I | 1386. | 1407. | 1410. | 1373. | 1391. |
Reference | Amparo Blázquez, Pérez, et al., 2003 | Baranauskiene, Venskutonis, et al., 2003 | Bouzouita, Kachouri, et al., 2003 | Couladis, Chinou, et al., 2003 | Ogunwande, Olawore, 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 | BP-1 | BP-1 | BP-1 |
Column length (m) | 30. | 25. | 60. | 25. | 25. |
Carrier gas | He | He | N2 | N2 | N2 |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.2 | 0.32 | 0.32 | 0.55 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | |
Tstart (C) | 60. | 60. | 60. | 60. | 60. |
Tend (C) | 200. | 220. | 220. | 220. | 220. |
Heat rate (K/min) | 4. | 3. | 5. | 5. | 5. |
Initial hold (min) | 1. | ||||
Final hold (min) | 15. | 15. | 15. | ||
I | 1392. | 1396. | 1389. | 1387. | 1385. |
Reference | Juliani and Simon, 2002 | Mevy, Bessiere, et al., 2002 | Raina, Lal, et al., 2002 | Raina, Srivastava, et al., 2002 | Raina, Srivastava, et al., 2002, 2 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP-5MS | SSP-1 | HP-1 | DB-1 | DB-5 |
Column length (m) | 30. | 30. | 25. | 30. | 30. |
Carrier gas | He | He | He | He | He |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.32 | 0.2 | 0.25 | 0.26 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Tstart (C) | 50. | 50. | 100. | 40. | 60. |
Tend (C) | 250. | 250. | 220. | 260. | 240. |
Heat rate (K/min) | 3. | 2. | 4. | 2. | 3. |
Initial hold (min) | 2. | 5. | |||
Final hold (min) | 5. | 20. | |||
I | 1391. | 1370. | 1388. | 1384. | 1391. |
Reference | Salido, Altarejos, et al., 2002 | Nagarajan, Rao, et al., 2001 | Rajeswara Rao, 2001 | Senatore and Rigano, 2001 | Adams, 2000 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | SE-54 | OV-101 | DB-5 | DB-5 | DB-5 |
Column length (m) | 30. | 25. | 30. | 30. | 30. |
Carrier gas | He | ||||
Substrate | |||||
Column diameter (mm) | 0.26 | 0.32 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.33 | |||
Tstart (C) | 60. | 50. | 60. | 60. | 40. |
Tend (C) | 246. | 200. | 240. | 240. | 260. |
Heat rate (K/min) | 3. | 5. | 3. | 3. | 2. |
Initial hold (min) | 5. | ||||
Final hold (min) | 20. | ||||
I | 1391. | 1394. | 1391. | 1393. | 1362. |
Reference | Adams, 2000, 2 | Kuiate, Zollo, et al., 1999 | Lopes, Kato, et al., 1999 | Lopes, Kato, et al., 1999 | Senatore and de Feo, 1999 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP-5MS | DB-5 | DB-5 | Methyl Silicone | DB-5 |
Column length (m) | 30. | 30. | 30. | 30. | 30. |
Carrier gas | He | He | He | He | He |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.25 | 0.25 | 0.32 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Tstart (C) | 70. | 60. | 60. | 60. | 40. |
Tend (C) | 250. | 240. | 240. | 250. | 250. |
Heat rate (K/min) | 3. | 3. | 4. | 2. | 2. |
Initial hold (min) | 5. | 2. | 5. | ||
Final hold (min) | 5. | 20. | |||
I | 1385. | 1393. | 1393. | 1392. | 1363. |
Reference | Siani, Ramos, et al., 1999 | da Silva, Andrade, et al., 1999 | da Silva, Zoghbi, et al., 1999 | Adegoke, Rao, et al., 1998 | de Feo, Porta, et al., 1998 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | Methyl Silicone | DB-5 | DB-5 | DB-5 | DB-1 |
Column length (m) | 25. | 30. | 30. | 30. | 30. |
Carrier gas | N2 | He | He | He | He |
Substrate | |||||
Column diameter (mm) | 0.5 | 0.25 | 0.25 | 0.25 | 0.23 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | ||
Tstart (C) | 60. | 40. | 40. | 60. | 50. |
Tend (C) | 220. | 250. | 250. | 240. | 200. |
Heat rate (K/min) | 5. | 2. | 2. | 4. | 3. |
Initial hold (min) | 5. | 5. | |||
Final hold (min) | 20. | 20. | |||
I | 1389. | 1362. | 1362. | 1394. | 1388. |
Reference | Mallavarapu, Rao, et al., 1998 | Senatore, Urrunaga Soria, et al., 1998 | Senatore, 1998 | Zoghbi, Andrade, et al., 1998 | Fiorini, Fourasté, et al., 1997 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | BPX-5 | DB-5 | SE-30 | OV-101 | SE-30 |
Column length (m) | 50. | 30. | 25. | 50. | 25. |
Carrier gas | N2 | He | N2 | N2 | N2 |
Substrate | |||||
Column diameter (mm) | 0.22 | 0.25 | 0.2 | 0.25 | 0.2 |
Phase thickness (μm) | 0.25 | 0.25 | 0.2 | ||
Tstart (C) | 60. | 40. | 60. | 80. | 60. |
Tend (C) | 185. | 250. | 180. | 200. | 180. |
Heat rate (K/min) | 2. | 2. | 3. | 2. | 3. |
Initial hold (min) | 10. | 5. | 10. | 10. | |
Final hold (min) | 20. | 1. | 60. | 1. | |
I | 1391. | 1363. | 1384. | 1388. | 1378. |
Reference | Fournier, Hadjiakhoondi, et al., 1997 | Senatore, Urrunaga Soria, et al., 1997 | Jantan, Ahmad, et al., 1996 | Padrayuttawat, Tamura, et al., 1996 | Jantan, Ali, et al., 1995 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-5 | DB-5 | DB-5 | HP-1 | SPB-1 |
Column length (m) | 30. | 30. | 30. | 15. | 50. |
Carrier gas | He | ||||
Substrate | |||||
Column diameter (mm) | 0.32 | 0.20 | |||
Phase thickness (μm) | |||||
Tstart (C) | 40. | 40. | 40. | 40. | 35. |
Tend (C) | 210. | 210. | 210. | 240. | 200. |
Heat rate (K/min) | 2. | 2. | 2. | 6. | 3. |
Initial hold (min) | 2. | 2. | 2. | 5. | |
Final hold (min) | 120. | 120. | 120. | 10. | 20. |
I | 1389. | 1389. | 1389. | 1398. | 1387. |
Reference | Loayza, Abujder, et al., 1995 | Loayza, Abujder, et al., 1995 | Loayza, Abujder, et al., 1995 | Raharivelomanana, Cambon, et al., 1993 | Wong and Tie, 1993 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary |
---|---|---|
Active phase | Methyl Silicone | BP-1 |
Column length (m) | 12. | 50. |
Carrier gas | H2 | |
Substrate | ||
Column diameter (mm) | 0.5 | 0.33 |
Phase thickness (μm) | ||
Tstart (C) | 70. | 65. |
Tend (C) | 250. | 220. |
Heat rate (K/min) | 4. | 5. |
Initial hold (min) | 2. | |
Final hold (min) | 15. | |
I | 1404.8 | 1397. |
Reference | Rao, Rajanikanth, et al., 1989 | Ekundayo, Laakso, et al., 1988 |
Comment | MSDC-RI | MSDC-RI |
References
Go To: Top, Kovats' 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.
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. [all data]
Notes
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