cis-α-Bisabolene
- 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/b14-7-
- IUPAC Standard InChIKey: YHBUQBJHSRGZNF-AUWJEWJLSA-N
- CAS Registry Number: 29837-07-8
- 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. - Species with the same structure:
- Stereoisomers:
- Other names: 4-[(1Z)-1,5-Dimethyl-1,4-hexadienyl]-1-methyl-1-cyclohexene; α-Bisabolene (Z); (Z)-α-Bisabolene; Cyclohexene, 4-[(1Z)-1,5-dimethyl-1,4-hexadien-1-yl]-1-methyl-; 2,5-Heptadiene, 2-methyl-6-(4-methyl-3-cyclohexen-1-yl)-, (Z)-; Cyclohexene, 4-(1,5-dimethyl-1,4-hexadienyl)-1-methyl-, (Z)-; (Z)-α-Bisabilene; cis-p-Bisabolene
- Information on this page:
- Options:
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
View image of digitized spectrum (can be printed in landscape orientation).
Due to licensing restrictions, this spectrum cannot be downloaded.
| 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 | Flavors and Fragrances (Eds.B.Lawrence ET AL.),1986 |
| NIST MS number | 293017 |
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, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5MS | 1511. | Asuming, Beauchamp, et al., 2005 | 30. m/0.25 mm/0.25 μm, He, 50. C @ 10. min, 3. K/min, 250. C @ 5. min |
| Capillary | BP-1 | 1500. | Raina, Srivastava, et al., 2003 | 25. m/0.32 mm/0.25 μm, N2, 5. K/min, 220. C @ 15. min; Tstart: 60. C |
| Capillary | BP-1 | 1501. | Shawl, Srivastava, et al., 2002 | 30. m/0.32 mm/0.25 μm, N2, 5. K/min, 220. C @ 13. min; Tstart: 60. C |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5MS | 1508. | Saroglou, Arfan, et al., 2007 | 30. m/0.25 mm/0.25 μm, He, 60. C @ 5. min, 4. K/min; Tend: 280. C |
| Capillary | SPB-1 | 1521. | Blagojevic, Radulovic, et al., 2006 | 30. m/0.25 mm/0.25 μm, He, 50. C @ 3. min, 5. K/min, 250. C @ 15. min |
| Capillary | DB-5 | 1504. | Blagojevic, Radulovic, et al., 2006 | 30. m/0.2 mm/0.25 μm, He, 50. C @ 3. min, 5. K/min, 250. C @ 15. min |
| Capillary | HP-5 | 1505. | Javidnia, Miri, et al., 2006 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 250. C |
| Capillary | BP-1 | 1494. | Boti J.B., Koukoua G., et al., 2005 | 50. m/0.22 mm/0.25 μm, He, 2. K/min, 220. C @ 20. min; Tstart: 60. C |
| Capillary | SE-54 | 1504. | Simionatto, Porto, et al., 2005 | 25. m/0.25 mm/0.2 μm, H2, 4. K/min; Tstart: 50. C; Tend: 250. C |
| Capillary | Mega 5MS | 1495. | Verzera, Trozzi, et al., 2005 | 30. m/0.25 mm/0.25 μm, He, 40. C @ 2. min, 3. K/min; Tend: 240. C |
| Capillary | RTX-5 | 1503. | Dugo, Mondello, et al., 2004 | 30. m/0.25 mm/0.25 μm, He, 45. C @ 6. min, 3. K/min, 300. C @ 10. min |
| Capillary | SPB-5 | 1503. | Pino, Marbot, et al., 2004 | 30. m/0.25 mm/0.25 μm, He, 60. C @ 2. min, 4. K/min, 250. C @ 20. min |
| Capillary | HP-5 | 1509. | Bougatsos, Meyer, et al., 2003 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 280. C |
| Capillary | MS5 | 1502. | Shao, Marriott, et al., 2003 | 25. m/0.25 mm/0.25 μm, 3. K/min; Tstart: 40. C; Tend: 180. C |
| Capillary | Mega 5MS | 1495. | Verzera, Trozzi, et al., 2003 | 30. m/0.25 mm/0.25 μm, He, 40. C @ 2. min, 3. K/min; Tend: 240. C |
| Capillary | BP-1 | 1496. | Lota, Serra, et al., 2001 | 50. m/0.22 mm/0.25 μm, He, 2. K/min; Tstart: 60. C; Tend: 220. C |
| Capillary | BP-1 | 1496. | Lota, Serra, et al., 2001 | 50. m/0.22 mm/0.25 μm, He, 2. K/min; Tstart: 60. C; Tend: 220. C |
| Capillary | RTX-5 | 1509. | Mondello, Zappia, et al., 2000 | 10. m/0.1 mm/0.1 μm, He, 12.3 K/min; Tstart: 50. C; Tend: 350. C |
| Capillary | Mega 5MS | 1495. | Verzera, Trozzi, et al., 2000 | 30. m/0.25 mm/0.25 μm, He, 40. C @ 2. min, 3. K/min; Tend: 240. C |
| Capillary | HP-5 | 1503. | Lazari, Skaltsa, et al., 1999 | 30. m/0.25 mm/0.25 μm, He, 50. C @ 5. min, 4. K/min; Tend: 280. C |
Van Den Dool and Kratz RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | BP-20 | 1727. | Boti J.B., Koukoua G., et al., 2005 | 50. m/0.22 mm/0.25 μm, He, 2. K/min, 220. C @ 20. min; Tstart: 60. C |
| Capillary | Megawax | 1702. | Verzera, Trozzi, et al., 2005 | 30. m/0.25 mm/0.25 μm, He, 40. C @ 6. min, 2. K/min, 220. C @ 10. min |
| Capillary | BP-20 | 1724. | Lota, Serra, et al., 2001 | 50. m/0.22 mm/0.25 μm, He, 2. K/min; Tstart: 60. C; Tend: 220. C |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | SPB-5 | 1499. | Gilani, Shah, et al., 2009 | 30. m/0.53 mm/0.50 μm, Nitrogen, 50. C @ 5. min, 3. K/min, 210. C @ 45. min |
| Capillary | DB-5 | 1504. | Bos, Woerdenbag, et al., 2007 | 30. m/0.26 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 240. C |
| Capillary | HP-5MS | 1504. | Bozin B., Mlmica-Dukic N., et al., 2007 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 280. C |
| Capillary | DB-5 | 1504. | Elfami, Bos, et al., 2007 | 30. m/0.26 mm/0.25 μm, Helium, 3. K/min; Tstart: 60. C; Tend: 290. C |
| Capillary | HP-5MS | 1498. | Ferhat, Meklati, et al., 2007 | 30. m/0.25 mm/0.25 μm, He, 60. C @ 8. min, 2. K/min, 250. C @ 15. min |
| Capillary | DB-5 | 1501. | Pontes, de Olivera, et al., 2007 | 30. m/0.25 mm/0.25 μm, Hydrogen, 4. K/min; Tstart: 50. C; Tend: 250. C |
| Capillary | DB-5 | 1504. | Elfami, Komar, et al., 2006 | 30. m/0.26 mm/0.25 μm, Helium, 3. K/min; Tstart: 60. C; Tend: 290. C |
| Capillary | BP-1 | 1493. | Lesueur, Ban, et al., 2006 | 50. m/0.22 mm/0.25 μm, He, 2. K/min, 220. C @ 20. min; Tstart: 60. C |
| Capillary | 5 % Phenyl methyl siloxane | 1479. | Marongiu, Piras, et al., 2006 | 30. m/0.25 mm/0.25 μm, Helium, 3. K/min, 280. C @ 30. min; Tstart: 60. C |
| Capillary | DB-5 | 1508. | Morteza-Semnani, Akbarzadeh, et al., 2006 | 30. m/0.25 mm/0.25 μm, He, 4. K/min; Tstart: 60. C; Tend: 220. C |
| Capillary | HP-5 | 1509. | Potzernheim, Bizzo, et al., 2006 | 25. m/0.32 mm/0.25 μm, H2, 3. K/min; Tstart: 60. C; Tend: 240. C |
| Capillary | CP Sil 5 CB | 1492. | Tesso, König, et al., 2006 | H2, 3. K/min; Column length: 25. m; Column diameter: 0.25 mm; Tstart: 50. C; Tend: 230. C |
| Capillary | DB-5 | 1499. | Chagonda and Chalchat, 2005 | 50. m/0.3 mm/0.25 μm, 2. K/min; Tstart: 60. C; Tend: 240. C |
| Capillary | HP-5 | 1498. | Utsunomia, Kawata, et al., 2005 | 30. m/0.32 mm/0.25 μm, Helium, 4. K/min, 300. C @ 5. min; Tstart: 40. C |
| Capillary | DB-5 | 1503. | da Silva, Luz, et al., 2003 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 240. C |
| Capillary | SPB-5 | 1504. | Pino, Marbot, et al., 2002 | 30. m/0.25 mm/0.25 μm, Helium, 60. C @ 2. min, 4. K/min, 250. C @ 20. min |
| Capillary | DB-1 | 1498. | Feger, Brandauer, et al., 2000 | 33. m/0.25 mm/0.50 μm, N2, 50. C @ 2. min, 20. K/min; Tend: 135. C |
| Capillary | SE-30 | 1496. | Ramaswami, Briscese, et al., 1988 | 50. C @ 2. min, 4. K/min, 240. C @ 10. min; Column length: 30. m |
| Capillary | SE-30 | 1496. | 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 | 1509. | Courtois, Paine, et al., 2009 | 30. m/0.25 mm/0.25 μm, Helium; Program: 50 0C m6 0C/min -> 140 0C 5 0C/min -> 160 0C (1 min) 10 0C/min -> 200 0C |
| Capillary | DB-1 | 1501. | Mendes, Trindade, et al., 2009 | 30. m/0.25 mm/0.25 μm, Hydrogen; Program: 45 0C 3 0C/min -> 175 0C 15 0C/min -> 300 0C (10 min) |
| Capillary | DB-5 | 1504. | Pontes, de Olivera, et al., 2007 | 30. m/0.25 mm/0.25 μm, Hydrogen; Program: not specified |
| Capillary | DB-5 | 1495. | Soares, Pereira, et al., 2007 | 30. m/0.25 mm/0.50 μm, Helium; Program: 35 0C (6 min) 5 0C/min -> 50 0C 2 0C/min -> 70 0C 3 0C/min -> 150 0C 5 0C/min -> 200 0C |
| Capillary | DB-1 | 1504. | Soumaghi, Amin, et al., 2006 | Helium; Program: not specified |
| Capillary | Polydimethyl siloxane with 5 % Ph groups | 1503. | Pino, Marbot, et al., 2005 | Program: not specified |
Normal alkane RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Carbowax | 1761. | Ferhat, Meklati, et al., 2007 | 60. m/0.2 mm/0.25 μm, He, 60. C @ 8. min, 2. K/min, 250. C @ 15. min |
| Capillary | BP-20 | 1772. | Lesueur, Ban, et al., 2006 | 50. m/0.22 mm/0.25 μm, He, 2. K/min, 220. C @ 20. min; Tstart: 60. C |
| Capillary | Carbowax 20M | 1720. | Gaydou, Faure, et al., 1989 | 50. m/0.32 mm/0.15 μm, H2, 2. K/min; Tstart: 70. C; Tend: 210. C |
| Capillary | Supelcowax-10 | 1740. | Ramaswami, Briscese, et al., 1988 | 50. C @ 2. min, 4. K/min, 240. C @ 10. min; Column length: 30. m |
| Capillary | Supelcowax-10 | 1740. | 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 | PEG-20M Innowax | 1719. | Wang, Tian, et al., 2013 | 30. m/0.25 mm/0.25 μm, Nitrogen; Program: 50 0C (7 min) 20 0C/min -> 130 0C (1 min) 1 0C/min -> 150 0C 8 0C/min -> 190 0C (5 min) |
| Capillary | BP-20 | 1759. | Pontes, Marques, et al., 2007 | 30. m/0.25 mm/0.25 μm, He; Program: 50C(1min) => 2.5C/min => 100C => 2C/min => 180C => 15C/min => 220C |
| Capillary | BP-20 | 1759. | Pontes, Marques, et al., 2007 | 30. m/0.25 mm/0.25 μm, He; Program: 50C(1min) => 2.5C/min => 100C => 2C/min => 180C => 15C/min => 220C |
| Capillary | Innowax FSC | 1740. | Baser, Demirci, et al., 2003 | 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.
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Notes
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