Cyclohexene, 4-[(1E)-1,5-dimethyl-1,4-hexadien-1-yl]-1-methyl-
- Formula: C15H24
- Molecular weight: 204.3511
- IUPAC Standard InChI: InChI=1S/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6-8,15H,5,9-11H2,1-4H3
- IUPAC Standard InChIKey: YHBUQBJHSRGZNF-UHFFFAOYSA-N
- CAS Registry Number: 25532-79-0
- 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: 4-[(1E)-1,5-Dimethyl-1,4-hexadienyl]-1-methyl-1-cyclohexene; 2,5-Heptadiene, 2-methyl-6-(4-methyl-3-cyclohexen-1-yl)-, (E)-; Cyclohexene, 4-(1,5-dimethyl-1,4-hexadienyl)-1-methyl-, (E)-; Cyclohexene, 4-[(1E)-1,5-dimethyl-1,4-hexadienyl]-1-methyl-; (E)-α-Bisabolene; trans-α-Bisabolene; α-Bisabolene
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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 | NIST Mass Spectrometry Data Center |
| NIST MS number | 412394 |
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 |
|---|---|---|---|---|---|
| Capillary | DB-1 | 150. | 1532. | Viswanathan, Maridass, et al., 2002 | 28. m/0.25 mm/0.25 μm, He |
| Packed | SF-96 | 170. | 1499. | Andersen, Bissonette, et al., 1977 | Column length: 7.3 m |
| Packed | SF-96 | 170. | 1538. | Andersen, Bissonette, et al., 1977 | Column length: 7.3 m |
| Packed | Apiezon L | 190. | 1512. | Andersen, Bissonette, et al., 1977 | Column length: 7.3 m |
| Packed | Apiezon L | 190. | 1547. | Andersen, Bissonette, et al., 1977 | Column length: 7.3 m |
| Packed | Apiezon L | 190. | 1510. | Andersen, Bissonette, et al., 1977 | Column length: 7.3 m |
| Packed | Apiezon L | 190. | 1547. | 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 | HP-5MS | 1540. | Hazzit, Baaliouamer, et al., 2006 | 30. m/0.25 mm/0.25 μm, He, 60. C @ 8. min, 2. K/min, 280. C @ 30. min |
| Capillary | DB-5 | 1504. | Viña and Murillo, 2003 | 30. m/0.25 mm/0.25 μm, He, 50. C @ 5. min, 0.5 K/min, 250. C @ 10. min |
| Capillary | Methyl Silicone | 1491. | Adegoke, Rao, et al., 1998 | 30. m/0.32 mm/0.25 μm, He, 60. C @ 2. min, 2. K/min, 250. C @ 5. min |
| Capillary | DB-1 | 1532. | Saad, El-Sharkawy, et al., 1995 | 28. m/0.25 mm/0.25 μm, He, 50. C @ 1. min, 4. K/min; Tend: 270. C |
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. | 1777. | Andersen, Bissonette, et al., 1977 | Column length: 7.3 m |
| Packed | Carbowax 20M | 150. | 1737.5 | Andersen, Bissonette, et al., 1977 | Column length: 7.3 m |
| Packed | Carbowax 20M | 150. | 1777. | Andersen, Bissonette, et al., 1977 | Column length: 7.3 m |
| Capillary | Carbowax 20M | 125. | 1765. | Hedin, Thopson, et al., 1972 | N2; Column length: 15.24 m; Column diameter: 0.5 mm |
Kovats' RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Carbowax 20M | 1767. | Tressl, Friese, et al., 1978 | He, 2. K/min; Column length: 50. m; Column diameter: 0.28 mm; Tstart: 70. C; Tend: 190. C |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-101 | 1506. | Politeo, Jukic, et al., 2007 | 25. m/0.2 mm/0.2 μm, He, 70. C @ 2. min, 3. K/min, 200. C @ 15. min |
| Capillary | SPB-1 | 1529. | Pinto, Pina-Vaz, et al., 2006 | 30. m/0.2 mm/0.2 μm, He, 3. K/min, 220. C @ 15. min; Tstart: 70. C |
| Capillary | DB-1 | 1493. | Gancel, Ollitrault, et al., 2005 | 30. m/0.25 mm/0.25 μm, He, 3. K/min, 250. C @ 20. min; Tstart: 40. C |
| Capillary | SPB-1 | 1531. | Antunes, Sevinate-Pinto, et al., 2004 | 30. m/0.25 mm/0.25 μm, He, 3. K/min, 220. C @ 15. min; Tstart: 70. C |
| Capillary | DB-1 | 1493. | Gancel, Ollitrault, et al., 2003 | 30. m/0.25 mm/0.25 μm, He, 3. K/min, 250. C @ 20. min; Tstart: 40. C |
| Capillary | SPB-1 | 1531. | Cavaleiro, Salgueiro, et al., 2002 | 30. m/0.20 mm/0.20 μm, He, 3. K/min, 220. C @ 15. min; Tstart: 70. C |
| Capillary | BP-1 | 1496. | Lota, de Rocca Serra, et al., 2000 | 50. m/0.22 mm/0.25 μm, He, 2. K/min, 230. C @ 35. min; Tstart: 60. C |
| Capillary | BP-1 | 1496. | Lota, Serra, et al., 1999 | 50. m/0.22 mm/0.25 μm, He, 2. K/min, 230. C @ 35. min; Tstart: 60. C |
| Capillary | DB-1 | 1496. | Bartley and Foley, 1994 | 60. m/0.32 mm/0.5 μm, 40. C @ 2. min, 4. K/min, 290. C @ 5. min |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5MS | 1544.6 | 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 | 1511. | 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 | 1506. | Sacchetti, Maietti, et al., 2005 | 30. m/0.32 mm/0.15 μm, He; Program: 45C => 1C/min => 100C => 5C/min => 250C (10min) |
| Capillary | BPX-5 | 1523. | Elmore, Erbahadir, et al., 1997 | 50. m/0.32 mm/0.5 μm, He; Program: 0C (5min) => 40C/min => 40C (2min) => 10C/min => 280C |
Van Den Dool and Kratz RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Supelcowax-10 | 1767. | Pinto, Pina-Vaz, et al., 2006 | 30. m/0.2 mm/0.2 μm, He, 3. K/min, 220. C @ 15. min; Tstart: 70. C |
| Capillary | DB-Wax | 1720. | Gancel, Ollitrault, et al., 2005 | 30. m/0.25 mm/0.25 μm, He, 3. K/min, 250. C @ 20. min; Tstart: 40. C |
| Capillary | DB-Wax | 1720. | Gancel, Ollitrault, et al., 2003 | 60. m/0.32 mm/0.25 μm, H2, 1.5 K/min, 245. C @ 20. min; Tstart: 40. C |
| Capillary | BP-20 | 1724. | Lota, de Rocca Serra, et al., 2000 | 50. m/0.22 mm/0.25 μm, He, 2. K/min, 230. C @ 35. min; Tstart: 60. C |
| Capillary | BP-20 | 1730. | Lota, Serra, et al., 1999 | 50. m/0.22 mm/0.25 μm, He, 2. K/min, 230. C @ 35. min; Tstart: 60. C |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | RTX-1 | 1531. | Bendiabdellah, El Amine Dib, et al., 2012 | 60. m/0.22 mm/0.25 μm, Helium, 2. K/min, 230. C @ 5. min; Tstart: 60. C |
| Capillary | RTX-1 | 1531. | Bendiabdellah, El Amine Dib, et al., 2012 | 60. m/0.22 mm/0.25 μm, Helium, 2. K/min, 230. C @ 5. min; Tstart: 60. C |
| Capillary | HP-5 | 1508. | Cavar, Maksimovic, et al., 2010 | 30. m/0.252 mm/0.25 μm, Helium, 3. K/min; Tstart: 60. C; Tend: 240. C |
| Capillary | DB-1-MS | 1528. | Takeoka, Hobbs, et al., 2010 | 60. m/0.25 mm/0.25 μm, Helium, 30. C @ 4. min, 2. K/min, 200. C @ 35. min |
| Capillary | DB-1 | 1487. | Chen, Sheu, et al., 2006 | Nitrogen, 40. C @ 1. min, 2. K/min, 200. C @ 9. min; Column length: 60. m; Column diameter: 0.25 mm |
| Capillary | BP-1 | 1500. | Fanciullino, Tomi, et al., 2006 | 50. m/0.22 mm/0.25 μm, He, 2. K/min, 220. C @ 20. min; Tstart: 60. C |
| Capillary | Methyl Silicone | 1496. | Kitchlu, Bakshi, et al., 2006 | 25. m/0.25 mm/0.25 μm, He, 90. C @ 2. min, 7. K/min; Tend: 220. C |
| Capillary | DB-5 | 1503. | Senatore, Apostolides Arnold, et al., 2005 | 30. m/0.25 mm/0.25 μm, He, 40. C @ 5. min, 2. K/min, 260. C @ 20. min |
| Capillary | RSL-200 | 1515. | Jirovetz, Buchbauer, et al., 2003 | 30. m/0.32 mm/0.25 μm, H2, 40. C @ 5. min, 6. K/min, 280. C @ 5. min |
| Capillary | DB-5MS | 1512. | Maia, Zoghbi, et al., 2002 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 240. C |
| Capillary | BP-1 | 1496. | Lota, de Rocca Serra, et al., 2001 | 50. m/0.22 mm/0.25 μm, He, 2. K/min, 230. C @ 35. min; Tstart: 60. C |
| Capillary | DB-1 | 1476. | Palá-Paúl, Pérez-Alonso, et al., 2001 | 30. m/0.25 mm/0.25 μm, N2, 4. K/min; Tstart: 80. C; Tend: 225. C |
| Capillary | OV-101 | 1497. | Chacko, Jayalekshmy, et al., 1996 | 50. m/0.25 mm/0.17 μm, N2, 5. K/min; Tstart: 50. C; Tend: 220. C |
| Capillary | DB-1 | 1494. | Stashenko, Puertas, et al., 1996 | 60. m/0.25 mm/0.25 μm, He, 50. C @ 5. min, 2.5 K/min; Tend: 250. C |
| Capillary | HP-5 | 1520. | Larsen and Frisvad, 1995 | 35. C @ 2. min, 6. K/min; Tend: 200. C |
| Capillary | HP-5 | 1520. | Larsen and Frisvad, 1995, 2 | 35. C @ 2. min, 6. K/min; Tend: 200. C |
| Capillary | Methyl Silicone | 1496. | 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 | 1498. | 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 | RTX-1 | 1526. | Bendiabdellah, El Amine Dib, et al., 2012 | 60. m/0.22 mm/0.25 μm, Helium; Program: not specified |
| Capillary | RTX-1 | 1526. | Bendiabdellah, El Amine Dib, et al., 2012 | 60. m/0.22 mm/0.25 μm, Helium; Program: not specified |
| Capillary | DB-1 | 1515. | Fathi, Sahari, et al., 2011 | 30. m/0.25 mm/0.25 μm, Helium; Program: 50 0C (5 min) 3 0C/min -> 240 0C 15 0C/min -> 300 0C (3 min) |
| Capillary | DB-1-MS | 1532. | Takeoka, Hobbs, et al., 2010 | 60. m/0.25 mm/0.25 μm, Helium; Program: not specified |
| Capillary | DB-1 | 1501. | Delort and Jaquier, 2009 | 60. m/0.25 mm/0.25 μm, Helium; Program: 50 0C (5 min) 3 0C/min -> 120 0C 5 0C/min -> 250 0C (3 min) 15 0C/min -> 300 0C (20 min) |
| Capillary | CP Sil 8 CB | 1504. | Butkienë, Nivinskienë, et al., 2005 | 50. m/0.32 mm/0.25 μm, He; Program: 50C(5min) => 2C/min => 90C => 15C/min => 240C(4min) |
| Capillary | CP Sil 8 CB | 1504. | Judpentienë and Mockutë, 2004 | 50. m/0.32 mm/0.25 μm, He; Program: 60C(2min) => 5C/min => 160C(1min) => 10C/min => 250C (5min) |
| Capillary | SE-30 | 1526. | Vinogradov, 2004 | Program: not specified |
| Capillary | Methyl Silicone | 1526. | Zenkevich, 1996 | Program: not specified |
Normal alkane RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | RTX-Wax | 1733. | Bendiabdellah, El Amine Dib, et al., 2012 | 60. m/0.22 mm/0.25 μm, Helium, 2. K/min, 230. C @ 5. min; Tstart: 60. C |
| Capillary | TC-FFAP | 1776. | Kurose, Okamura, et al., 2007 | He, 3. K/min, 220. C @ 30. min; Column diameter: 0.25 mm; Phase thickness: 0.25 μm; Tstart: 60. C |
| Capillary | BP-20 | 1720. | Fanciullino, Tomi, et al., 2006 | 50. m/0.22 mm/0.25 μm, He, 2. K/min, 220. C @ 20. min; Tstart: 60. C |
| Capillary | FFAP | 1786. | Kitchlu, Bakshi, et al., 2006 | 20. m/0.25 mm/0.25 μm, He, 6. K/min; Tstart: 90. C; Tend: 250. C |
| Capillary | TC-Wax | 1770. | Miyazawa, Teranishi, et al., 2003 | He, 3. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tstart: 80. C; Tend: 240. C |
| Capillary | BP-20 | 1724. | Lota, de Rocca Serra, et al., 2001 | 50. m/0.22 mm/0.25 μm, He, 2. K/min, 230. C @ 35. min; Tstart: 60. C |
| Capillary | DB-Wax | 1726. | Paniandy, Chane-Ming, et al., 2000 | 60. m/0.32 mm/0.25 μm, Helium, 50. C @ 2. min, 5. K/min; Tend: 230. C |
Normal alkane RI, polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Carbowax 20M | 1766. | Vinogradov, 2004 | Program: not specified |
| Capillary | DB-Wax | 1745. | Paniandy, Chane-Ming, et al., 2000 | 60. m/0.32 mm/0.25 μm, Helium; Program: not specified |
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.
Viswanathan, Maridass, et al., 2002
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Notes
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