1H-Cyclopenta[1,3]cyclopropa[1,2]benzene, octahydro-7-methyl-3-methylene-4-(1-methylethyl)-, [3aS-(3aα,3bβ,4β,7α,7aS*)]-
- Formula: C15H24
- Molecular weight: 204.3511
- IUPAC Standard InChI: InChI=1S/C15H24/c1-9(2)12-6-5-11(4)15-8-7-10(3)13(15)14(12)15/h9,11-14H,3,5-8H2,1-2,4H3/t11-,12+,13?,14?,15?/m0/s1
- IUPAC Standard InChIKey: FSRZGYRCMPZNJF-PBWBXLIUSA-N
- CAS Registry Number: 13744-15-5
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Stereoisomers:
- Other names: 1H-Cyclopenta[1,3]cyclopropa[1,2]benzene, 2,3,3aα,3bα,4,5,6,7-octahydro-4α-isopropyl-7β-methyl-3-methylene-; β-Cubebene; β-Cuvebene; 1H-Cyclopenta[1,3]cyclopropa[1,2]benzene, octahydro-7-methyl-3-methylene-4-(1-methylethyl)-, (3aα,3bα,4α,7β,7aR*)-; 1H-Cyclopenta[1,3]cyclopropa[1,2]benzene, octahydro-7-methyl-3-methylene-4-(1-methylethyl)-, (3aS,3bR,4S,7R,7aR)-; beta cubebene
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Other data available:
- Options:
Normal alkane RI, 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-Innowax | DB-Wax | DB-Wax | HP-Innowax | HP-Innowax |
| Column length (m) | 60. | 30. | 60. | 30. | 30. |
| Carrier gas | Helium | Hydrogen | Helium | Helium | N2 |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 60. | 30. | 50. | 50. | 50. |
| Tend (C) | 220. | 230. | 220. | 240. | 240. |
| Heat rate (K/min) | 5. | 8. | 3. | 15. | 5. |
| Initial hold (min) | 1. | 5. | 2. | 10. | 1. |
| Final hold (min) | 5. | 10. | 70. | 19. | 4. |
| I | 1542. | 1540. | 1543. | 1558. | 1566. |
| Reference | Feng, Cui, et al., 2011 | Karlsson, Birgersson, et al., 2009 | Shimizu, Imayoshi, et al., 2009 | Charoensiddhi and Anprung, 2008 | Cheraif, Ben Jannet, et al., 2007 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | CP-Wax 52CB | TC-FFAP | TC-FFAP | TC-FFAP | DB-Wax |
| Column length (m) | 30. | 60. | |||
| Carrier gas | He | He | He | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.25 | 0.25 | 0.25 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 40. | 60. | 60. | 60. | 70. |
| Tend (C) | 220. | 220. | 220. | 220. | 220. |
| Heat rate (K/min) | 3. | 3. | 3. | 3. | 4. |
| Initial hold (min) | 1. | ||||
| Final hold (min) | 2. | 30. | 30. | 30. | |
| I | 1542. | 1540. | 1589. | 1539. | 1535. |
| Reference | Hymete, Rohloff, et al., 2007 | Kurose, Okamura, et al., 2007 | Kurose, Okamura, et al., 2007 | Kurose, Okamura, et al., 2007 | Pala-Paul, Brophy, et al., 2007 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | CP-Wax 52CB | Supelcowax-10 | DB-Wax | Supelcowax 10 | Supelcowax-10 |
| Column length (m) | 60. | 30. | 60. | 30. | 30. |
| Carrier gas | He | He | He | Helium | He |
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.25 | 0.25 | 0.20 | 0.25 |
| Phase thickness (μm) | 0.5 | 0.25 | 0.5 | 0.20 | 0.25 |
| Tstart (C) | 40. | 40. | 50. | 70. | 50. |
| Tend (C) | 220. | 250. | 230. | 220. | 220. |
| Heat rate (K/min) | 4. | 3. | 3. | 3. | 4. |
| Initial hold (min) | 8. | 5. | 2. | 1. | |
| Final hold (min) | 20. | 10. | 20. | 15. | 10. |
| I | 1548. | 1518. | 1533. | 1536. | 1529. |
| Reference | Povolo, Contarini, et al., 2007 | Vichi, Riu-Aumatell, et al., 2007 | Cai, Lin, et al., 2006 | Cavaleiro, Pinto, et al., 2006 | Wong, Lim, et al., 2006 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | Supelcowax | HP-20M | Carbowax | Supelcowax-10 | DB-Wax |
| Column length (m) | 60. | 50. | 30. | 30. | 60. |
| Carrier gas | He | Helium | N2 | ||
| Substrate | |||||
| Column diameter (mm) | 0.2 | 0.20 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.2 | 0.20 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 60. | 70. | 40. | 40. | 70. |
| Tend (C) | 230. | 180. | 200. | 220. | 230. |
| Heat rate (K/min) | 4. | 4. | 4. | 3. | 2. |
| Initial hold (min) | 30. | 4. | 5. | 2. | |
| Final hold (min) | 10. | 10. | 20. | ||
| I | 1518. | 1524. | 1558. | 1518. | 1550. |
| Reference | Gauvin and Smadja, 2005 | Kulisic, Radonic, et al., 2005 | Szafranek, Chrapkowska, et al., 2005 | Vichi, Riu-Aumatell, et al., 2005 | Choi, 2004 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-Wax | HP-Wax | HP-Innowax | HP-Innowax | Innowax |
| Column length (m) | 60. | 30. | 50. | 50. | 60. |
| Carrier gas | N2 | N2 | He | ||
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.2 | 0.2 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.2 | 0.2 | |
| Tstart (C) | 70. | 60. | 50. | 50. | 60. |
| Tend (C) | 230. | 220. | 220. | 220. | 220. |
| Heat rate (K/min) | 2. | 5. | 4. | 4. | 4. |
| Initial hold (min) | 2. | 10. | 5. | 5. | 10. |
| Final hold (min) | 20. | 10. | |||
| I | 1545. | 1540. | 1544. | 1544. | 1549. |
| Reference | Choi, 2004, 2 | Bertoli, Menichini, et al., 2003 | Stashenko, Jaramillo, et al., 2003 | Stashenko, Jaramillo, et al., 2003 | Suleimenov, Atazharova, et al., 2003 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | Carbowax 20M | DB-Wax | DB-Wax | DB-Wax | DB-Wax |
| Column length (m) | 30. | 60. | 60. | 60. | 60. |
| Carrier gas | He | N2 | N2 | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.325 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 50. | 70. | 70. | 40. | 45. |
| Tend (C) | 215. | 230. | 230. | 200. | 240. |
| Heat rate (K/min) | 4. | 2. | 2. | 2. | 3. |
| Initial hold (min) | 2. | 2. | |||
| Final hold (min) | 20. | 20. | |||
| I | 1541. | 1539. | 1550. | 1519. | 1538. |
| Reference | Kasali, Winterhalter, et al., 2002 | Tu, Onishi, et al., 2002 | Tu, Thanh, et al., 2002 | Umano, Hagi, et al., 2002 | Christoph, 2001 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | Innowax | DB-Wax | BP-20 | HP Innowax FSP | Innowax |
| Column length (m) | 60. | 60. | 25. | 60. | 60. |
| Carrier gas | He | He | He | He | |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.33 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.5 | 0.25 | 0.25 |
| Tstart (C) | 60. | 40. | 80. | 60. | 60. |
| Tend (C) | 220. | 200. | 220. | 220. | 220. |
| Heat rate (K/min) | 4. | 2. | 5. | ||
| Initial hold (min) | 10. | 2. | 10. | 10. | |
| Final hold (min) | 10. | 10. | |||
| I | 1549. | 1524. | 1553. | 1553. | 1550. |
| Reference | Baser, Özek, et al., 2000 | Umano, Hagi, et al., 2000 | Dunlop, Bignell, et al., 1999 | Kaya, Baser, et al., 1999 | Kaya, Baser, et al., 1999, 2 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | HP-Innowax | HP-Innowax | DB-Wax | BP-20 | DB-Wax |
| Column length (m) | 60. | 60. | 60. | 25. | 30. |
| Carrier gas | He | He | He | H2 | N2 |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.33 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.5 | 0.25 |
| Tstart (C) | 60. | 60. | 60. | 80. | 45. |
| Tend (C) | 220. | 220. | 240. | 220. | 220. |
| Heat rate (K/min) | 4. | 5. | 3. | ||
| Initial hold (min) | 10. | 10. | |||
| Final hold (min) | |||||
| I | 1553. | 1550. | 1547. | 1553. | 1558. |
| Reference | Kaya, Baser, et al., 1999, 3 | Kaya, Baser, et al., 1999, 3 | Ngassoum, Yonkeu, et al., 1999 | Bignell, Dunlop, et al., 1998 | Molleken U., Sinnwell V., et al., 1998 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | HP-Innowax FSC | BP-20 | BP-20 | BP-20 | BP-20 |
| Column length (m) | 60. | 25. | 25. | 25. | 25. |
| Carrier gas | He | H2 | H2 | H2 | |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.33 | 0.33 | 0.33 | 0.33 |
| Phase thickness (μm) | 0.25 | 0.5 | 0.5 | 0.5 | 0.5 |
| Tstart (C) | 60. | 80. | 80. | 80. | 80. |
| Tend (C) | 220. | 220. | 220. | 220. | 220. |
| Heat rate (K/min) | 4. | 5. | 5. | 5. | 5. |
| Initial hold (min) | 10. | ||||
| Final hold (min) | 10. | ||||
| I | 1547. | 1553. | 1553. | 1553. | 1553. |
| Reference | Tümen, Baser, et al., 1998 | Bignell, Dunlop, et al., 1997 | Bignell, Dunlop, et al., 1997, 2 | Bignell, Dunlop, et al., 1997, 3 | Bignell, Dunlop, et al., 1997, 4 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | Supelcowax-10 | Supelcowax-10 | DB-Wax | DB-Wax | Carbowax 20M |
| Column length (m) | 30. | 0. | 60. | 60. | 45. |
| Carrier gas | He | He | He | Hydrogen | |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.25 | 1.0 | ||
| Tstart (C) | 60. | 40. | 50. | 50. | 60. |
| Tend (C) | 240. | 240. | 180. | 180. | 200. |
| Heat rate (K/min) | 4. | 3. | 2.5 | 2.5 | 2. |
| Initial hold (min) | 5. | 5. | 5. | ||
| Final hold (min) | |||||
| I | 1540. | 1547. | 1542. | 1560. | 1527. |
| Reference | Zunino, Novillo-Newton, et al., 1997 | Zygadlo, Ariza-Espinar, et al., 1997 | Stashenko, Puertas, et al., 1996 | Stashenko, Torres, et al., 1995 | Kollmannsberger, Nitz, et al., 1992 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-Wax | DB-Wax | DB-Wax | Supelcowax-10 | Carbowax 20M |
| Column length (m) | 60. | 30. | 60. | 30. | 25. |
| Carrier gas | |||||
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.32 | 0.32 | 0.30 | |
| Phase thickness (μm) | |||||
| Tstart (C) | 50. | 70. | 50. | 50. | 40. |
| Tend (C) | 230. | 200. | 250. | 240. | 220. |
| Heat rate (K/min) | 4. | 4. | 4. | 4. | 2. |
| Initial hold (min) | 2. | 0.1 | 2. | 5. | |
| Final hold (min) | 10. | 5. | 10. | ||
| I | 1535. | 1545. | 1534. | 1541. | 1565. |
| Reference | Binder, Turner, et al., 1990 | Wyllie, Brophy, et al., 1990 | Binder and Flath, 1989 | Ramaswami, Briscese, et al., 1988 | Nykanen, 1986 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary |
|---|---|---|
| Active phase | Supelcowax-10 | Carbowax 20M |
| Column length (m) | 30. | 50. |
| Carrier gas | He | |
| Substrate | ||
| Column diameter (mm) | 0.32 | |
| Phase thickness (μm) | ||
| Tstart (C) | 50. | 70. |
| Tend (C) | 240. | 180. |
| Heat rate (K/min) | 4. | 2. |
| Initial hold (min) | 2. | |
| Final hold (min) | 10. | |
| I | 1541. | 1533. |
| Reference | Ramaswami, Briscese, et al., 1986 | Tressl, Engel, et al., 1983 |
| Comment | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane RI, 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.
Feng, Cui, et al., 2011
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Notes
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