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
- Permanent link for this species. Use this link for bookmarking this species for future reference.
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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 | TNO Volatile Compounds in Food - Chemical Concepts |
NIST MS number | 249519 |
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. | 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, 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
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,
Phytochemistry, 1977, 16, 11, 1731-1751, https://doi.org/10.1016/0031-9422(71)85081-1
. [all data]
Andersen and Falcone, 1969
Andersen, N.H.; Falcone, M.S.,
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
. [all data]
Adams, 2000
Adams, R.P.,
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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Jantan I. and Ahmad A.S., 1999
Jantan I.; Ahmad A.S.,
Oleoresins of three pinus species from malaysian pine plantations,
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Mevy, Bousquet-Melou, et al., 2006
Mevy, J.P.; Bousquet-Melou, A.; Greff, S.; Millogo, J.; Fernandez, C.,
Chemical composition of the volatile oil of Laggera aurita Schulz from Burkina-Faso,
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Duquesnoy, E.; Castola, V.; Casanova, J.,
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Aroma volatile constituents of Colombian varieties of mango (Mangifera indica L.),
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Chemical composition and evaluation of antibacterial and antioxidant activities of the essential oil of Croton urucurana Baillon (Euphorbiaceae) stem bark,
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Jelen H.H.; Mirocha C.J.; Wasowicz E.; Kaminski E.,
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Notes
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