1H-Benzocycloheptene, 2,4a,5,6,7,8-hexahydro-3,5,5,9-tetramethyl-, (R)-
- Formula: C15H24
- Molecular weight: 204.3511
- IUPAC Standard InChIKey: LCOSCMLXPAQCLQ-CQSZACIVSA-N
- CAS Registry Number: 1461-03-6
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: β-Himachalene; 1H-Benzocycloheptene, 2,4aβ,5,6,7,8-hexahydro-3,5,5,9-tetramethyl-, (+)-; (+)-β-Himachalene; 3,5,5,9-Tetramethyl-2,4a,5,6,7,8-hexahydro-1H-benzo[a]cycloheptene-, (R)-; 1H-Benzocycloheptene, 2,4a,5,6,7,8-hexahydro-3,5,5,9-tetramethyl-, (4aR)-; (R)-3,5,5,9-Tetramethyl-2,4a,5,6,7,8-hexahydro-1H-benzo[7]annulene; 19888-28-9; Himachalene; (-)-β-himachalene
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Gas Chromatography
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
Kovats' RI, non-polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Packed | SF-96 | 170. | 1498.5 | Andersen, Bissonette, et al., 1977 | Column length: 7.3 m |
Packed | Apiezon L | 190. | 1546.5 | Andersen, Bissonette, et al., 1977 | Column length: 7.3 m |
Packed | Apiezon L | 190. | 1544. | Andersen, Bissonette, et al., 1977 | Column length: 7.3 m |
Packed | SE-30 | 130. | 1491. | Andersen and Falcone, 1969 | He, Chromosorb G |
Kovats' RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | CP Sil 8 CB | 1498. | Schwob, Bessiere, et al., 2004 | 30. m/0.25 mm/0.25 μm, H2, 50. C @ 2. min, 3. K/min; Tend: 220. C |
Capillary | SE-54 | 1499. | Adams, 2000 | 30. m/0.26 mm/0.25 μm, 3. K/min; Tstart: 60. C; Tend: 246. C |
Capillary | SE-30 | 1517. | Jantan I. and Ahmad A.S., 1999 | He, 60. C @ 10. min, 3. K/min; Column length: 25. m; Column diameter: 0.2 mm; Tend: 180. C |
Kovats' RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | HP-5MS | 1500. | Mevy, Bousquet-Melou, et al., 2006 | 30. m/0.25 mm/0.25 μm, He; Program: 50C(2min) => 2C/min => 160C(5min) => 50C/min => 270C (6min) |
Kovats' RI, polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Packed | Carbowax 20M | 150. | 1736. | Andersen, Bissonette, et al., 1977 | Column length: 7.3 m |
Packed | Carbowax 20M | 150. | 1736. | Andersen, Bissonette, et al., 1977 | Column length: 7.3 m |
Packed | Carbowax 20M | 150. | 1738. | Andersen, Bissonette, et al., 1977 | Column length: 7.3 m |
Packed | Carbowax 20M | 132. | 1717. | Andersen and Falcone, 1969 | |
Packed | Carbowax 20M | 165. | 1752. | Andersen and Falcone, 1969 |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | BP-1 | 1497. | Duquesnoy, Castola, et al., 2007 | 50. m/0.22 mm/0.25 μm, He, 2. K/min, 220. C @ 20. min; Tstart: 60. C |
Capillary | DB-5 | 1499. | Maccioni, Baldini, et al., 2007 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 240. C |
Capillary | HP-5 | 1503. | Quijano, Salamanca, et al., 2007 | 30. m/0.25 mm/0.25 μm, He, 50. C @ 4. min, 4. K/min, 250. C @ 10. min |
Capillary | ZB-5 | 1500. | 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 | 1491. | Basta, Tzakou, et al., 2006 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 280. C |
Capillary | RTX-1 | 1497. | Cavalli, Tomi, et al., 2006 | 60. m/0.22 mm/0.25 μm, He, 2. K/min, 230. C @ 45. min; Tstart: 60. C |
Capillary | BP-1 | 1501. | 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-5 | 1490. | Pavlovic, Tzakou, et al., 2006 | 30. m/0.32 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 280. C |
Capillary | HP-5MS | 1495. | Saroglou, Dorizas, et al., 2006 | 30. m/0.25 mm/0.25 μm, He, 60. C @ 5. min, 4. K/min; Tend: 280. C |
Capillary | DB-5 | 1505. | Su, Ho, et al., 2006 | 30. m/0.25 mm/0.25 μm, He, 50. C @ 2. min, 5. K/min; Tend: 250. C |
Capillary | HP-5 | 1499. | Flamini, Luigi Cioni, et al., 2005 | 30. m/0.25 mm/0.25 μm, N2, 60. C @ 10. min, 5. K/min; Tend: 220. C |
Capillary | BP-1 | 1499. | Gonny, Bradesi, et al., 2004 | 50. m/0.22 mm/0.25 μm, 2. K/min, 220. C @ 20. min; Tstart: 60. C |
Capillary | DB-5MS | 1516. | Mardarowicz, Wianowska, et al., 2004 | 30. m/0.25 mm/0.25 μm, He, 40. C @ 2. min, 4. K/min; Tend: 280. C |
Capillary | HP-5 | 1499. | 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-5MS | 1499. | Demetzos, Angelopoulou, et al., 2002 | 30. m/0.25 mm/0.25 μm, 50. C @ 5. min, 3. K/min; Tend: 280. C |
Capillary | HP-5MS | 1499. | Skaltsa, Mavrommati, et al., 2001 | 30. m/0.25 mm/0.25 μm, He, 60. C @ 5. min, 4. K/min; Tend: 280. C |
Capillary | OV-1 | 1479. | Bicchi, Rubiolo, et al., 1998 | 25. m/0.25 mm/0.3 μm, 50. C @ 1. min, 3. K/min, 200. C @ 20. min |
Capillary | DB-1 | 1538. | Stashenko, Wiame, et al., 1995 | 30. m/0.20 mm/0.20 μm, He, 70. C @ 5. min, 4. K/min; Tend: 200. C |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | HP-5MS | 1515. | 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 | HP-5MS | 1511.8 | 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) |
Van Den Dool and Kratz RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | BP-20 | 1706. | Duquesnoy, Castola, et al., 2007 | 50. m/0.22 mm/0.25 μm, He, 2. K/min, 220. C @ 20. min; Tstart: 60. C |
Capillary | RTX-Wax | 1704. | Cavalli, Tomi, et al., 2006 | 60. m/0.22 mm/0.25 μm, He, 2. K/min, 230. C @ 45. min; Tstart: 60. C |
Capillary | BP-20 | 1717. | 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 | BP-20 | 1706. | Gonny, Bradesi, et al., 2004 | 50. m/0.22 mm/0.25 μm, 2. K/min, 220. C @ 20. min; Tstart: 60. C |
Capillary | DB-Wax | 1713. | Cha, Kim, et al., 1998 | 60. m/0.25 mm/0.25 μm, 40. C @ 5. min, 3. K/min, 200. C @ 60. min |
Normal alkane RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-5 | 1505. | Cao, Li, et al., 2011 | 30. m/0.25 mm/0.25 μm, Helium, 40. C @ 5. min, 3. K/min, 250. C @ 20. min |
Capillary | Elite-5 MS | 1478. | Baharum, Bunawan, et al., 2010 | 30. m/0.25 mm/0.25 μm, Helium, 4. K/min; Tstart: 40. C; Tend: 220. C |
Capillary | HP-5 | 1506. | Bousaada, Ammar, et al., 2008 | 30. m/0.25 mm/0.25 μm, Nitrogen, 50. C @ 1. min, 5. K/min, 280. C @ 1. min |
Capillary | HP-5 MS | 1505. | Forero, Quijano, et al., 2008 | 30. m/0.25 mm/0.25 μm, Helium, 50. C @ 4. min, 4. K/min, 230. C @ 10. min |
Capillary | VF-5MS | 1508. | Kowalski, 2008 | 30. m/0.25 mm/0.25 μm, Helium, 240. C @ 1. min, 20. K/min; Tend: 320. C |
Capillary | HP-5 | 1500. | Yassa and Akhani, 2008 | 30. m/0.25 mm/0.32 μm, Helium, 60. C @ 30. min, 5. K/min; Tend: 250. C |
Capillary | DB-5 | 1497. | Bos, Woerdenbag, et al., 2007 | 30. m/0.26 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 240. C |
Capillary | DB-5 | 1497. | Elfami, Bos, et al., 2007 | 30. m/0.26 mm/0.25 μm, Helium, 3. K/min; Tstart: 60. C; Tend: 290. C |
Capillary | RTX-5 MS | 1504. | Hudaib and Aburjai, 2007 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 45. C; Tend: 210. C |
Capillary | DB-1 | 1495. | Pala-Paul, Brophy, et al., 2007 | 50. m/0.25 mm/0.25 μm, He, 4. K/min; Tstart: 95. C; Tend: 240. C |
Capillary | HP-5 | 1500. | Yassa and Akhani, 2007 | 30. m/0.25 mm/0.32 μm, He, 60. C @ 30. min, 5. K/min; Tend: 250. C |
Capillary | DB-5 | 1497. | Elfami, Komar, et al., 2006 | 30. m/0.26 mm/0.25 μm, Helium, 3. K/min; Tstart: 60. C; Tend: 290. C |
Capillary | DB-5 | 1502. | Mirza, Navaei, et al., 2006 | 30. m/0.25 mm/0.25 μm, Helium, 50. C @ 5. min, 3. K/min; Tend: 250. C |
Capillary | DB-5 | 1497. | Ferraz, Limberger, et al., 2005 | 30. m/0.25 mm/0.25 μm, He, 60. C @ 3. min, 3. K/min; Tend: 300. C |
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 | 1457. | N/A | 30. m/0.32 mm/0.25 μm, Helium, 40. C @ 2. min, 5. K/min, 250. C @ 5. min |
Capillary | MDN-5 | 1493. | Jelén, 2002 | 30. m/0.25 mm/0.25 μm, 40. C @ 3. min, 8. K/min; Tend: 280. C |
Capillary | DB-5 | 1501. | Schwob, Bessière, et al., 2002 | He, 3. K/min; Column length: 25. m; Column diameter: 0.2 mm; Tstart: 60. C; Tend: 220. C |
Capillary | DB-5 | 1499. | Zoghbi, Andrade, et al., 2002 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 240. C |
Capillary | HP-5 | 1500. | Gallori, Flamini, et al., 2001 | 30. m/0.25 mm/0.25 μm, N2, 60. C @ 10. min, 5. K/min; Tend: 220. C |
Capillary | HP-5 | 1542. | Larsen and Frisvad, 1995 | 35. C @ 2. min, 6. K/min; Tend: 200. C |
Capillary | HP-5 | 1542. | Larsen and Frisvad, 1995, 2 | 35. C @ 2. min, 6. K/min; Tend: 200. C |
Capillary | HP-5 | 1542. | Larsen and Frisvad, 1995, 2 | 35. C @ 2. min, 6. K/min; Tend: 200. C |
Capillary | HP-5 | 1550. | Larsen and Frisvad, 1994 | 35. C @ 2. min, 6. K/min; Tend: 200. C |
Capillary | BP-1 | 1485. | Wyllie, Brophy, et al., 1990 | 45. C @ 3. min, 3. K/min; Column length: 25. m; Column diameter: 0.33 mm; Tend: 180. C |
Capillary | SE-30 | 1494. | Ramaswami, Briscese, et al., 1988 | 50. C @ 2. min, 4. K/min, 240. C @ 10. min; Column length: 30. m |
Capillary | SE-30 | 1494. | Ramaswami, Briscese, et al., 1986 | 50. C @ 2. min, 4. K/min, 240. C @ 10. min; Column length: 30. m |
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-5 | 1500. | Cao, Li, et al., 2011 | 30. m/0.25 mm/0.25 μm, Helium; Program: not specified |
Capillary | HP-5 | 1501. | Custer, 2009 | 25. m/0.32 mm/0.17 μm, Helium; Program: 60 0C (5 min) 4 0C/min -> 220 0C 11 0C/min -> 280 0C (15 min) |
Capillary | HP-5 | 1500. | Custer, 2009 | 25. m/0.32 mm/0.17 μm, Helium; Program: not specified |
Capillary | HP-5MS | 1527. | 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 | 1527. | 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 | CP Sil 8 CB | 1504. | Judpentienë and Mockutë, 2004 | He; Column length: 50. m; Column diameter: 0.32 mm; Program: 60C(2min) => 5C/min => 160C (1min) => 10C/min => 250C (2min) |
Capillary | SE-30 | 1509. | Vinogradov, 2004 | Program: not specified |
Capillary | CP Sil 8 CB | 1488. | Schwob, Bessière, et al., 2002, 2 | Program: not specified |
Capillary | HP-5 | 1494. | Aparicio, Romero, et al., 2001 | 30. m/0.25 mm/0.25 μm; Program: not specified |
Capillary | DB-1 | 1494. | Santos, Figueiredo, et al., 1999 | 30. m/0.25 mm/0.25 μm, He; Program: 45C => 3C/min => 175C => 15C/min => 300C(10min) |
Capillary | Methyl Silicone | 1501. | Zenkevich, 1996 | Program: not specified |
Capillary | DB-5 | 1510. | Jelen H.H., Mirocha C.J., et al., 1995 | 30. m/0.25 mm/0.25 μm; Program: 35C(1min) => 5C/min => 230C => 20C/min => 280C |
Normal alkane RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | HP-Innowax | 1718. | Bousaada, Ammar, et al., 2008 | 30. m/0.25 mm/0.25 μm, Nitrogen, 50. C @ 1. min, 5. K/min, 280. C @ 1. min |
Capillary | CP-Wax 52CB | 1718. | 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 | 1705. | N/A | 30. m/0.32 mm/0.25 μm, Helium, 40. C @ 2. min, 5. K/min, 250. C @ 5. min |
Capillary | CP-Wax 52CB | 1684. | Mau, Lai, et al., 2003 | 60. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 40. C; Tend: 220. C |
Capillary | HP-20M | 1718. | Prikhod'ko, Klyuev, et al., 1999 | 25. m/0.20 mm/0.25 μm, Helium, 60. C @ 4. min, 3. K/min; Tend: 200. C |
Capillary | DB-Wax | 1711. | Wyllie, Brophy, et al., 1990 | 70. C @ 2. min, 4. K/min; Column length: 30. m; Column diameter: 0.32 mm; Tend: 200. C |
Capillary | Supelcowax-10 | 1718. | Ramaswami, Briscese, et al., 1988 | 50. C @ 2. min, 4. K/min, 240. C @ 10. min; Column length: 30. m |
Capillary | Supelcowax-10 | 1718. | 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 | Carbowax 20M | 1715. | Hudaib and Aburjai, 2007 | 30. m/0.25 mm/0.25 μm, He; Program: not specified |
Capillary | HP-Innowax FSC | 1740. | Tabanca, Demirci, et al., 2006 | 60. m/0.25 mm/0.25 μm; Program: 60C(10min) => 4C/min => 220C (10min) => 1C/min => 240C |
Capillary | Carbowax 20M | 1742. | Vinogradov, 2004 | Program: not specified |
Capillary | HP-Innowax FSC | 1729. | Bagci, Baser, et al., 1999 | 60. m/0.25 mm/0.25 μm, He; Program: 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C |
References
Go To: Top, 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
Andersen, N.H.; Bissonette, P.; Liu, C.-B.; Shunk, B.; Ohta, Y.; Tseng, C.-L.W.; Moore, A.; Huneck, S.,
Sesquiterpenes of nine European liverworts from the genera, Anastrepta, Bazzania, Jungermannia, Lepidozia, and Scapania,
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Andersen and Falcone, 1969
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The identification of sesquiterpene hydrocarbons from gas-liquid chromatography retention data,
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Schwob, Bessiere, et al., 2004
Schwob, I.; Bessiere, J.-M.; Masotti, V.; Viano, J.,
Changes in essential oil composition in Saint John's wort (Hypericum perforatum L.) aerial parts during its phenological cycle,
Biochem. Syst. Ecol., 2004, 32, 8, 735-745, https://doi.org/10.1016/j.bse.2003.12.005
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Adams, 2000
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Systematics of the one seeded Juniperus of the eastern hemisphere based on leaf essential oils and random amplified polymorphic DNAs (RAPDs),
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Chemical composition of the volatile oil of Laggera aurita Schulz from Burkina-Faso,
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Composition and chemical variability of the twig oil of Abies alba Miller from Corsica,
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Aroma volatile constituents of Colombian varieties of mango (Mangifera indica L.),
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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,
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Mardarowicz, Wianowska, et al., 2004
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Jelen H.H.; Mirocha C.J.; Wasowicz E.; Kaminski E.,
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Prikhod'ko, Klyuev, et al., 1999
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Notes
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