cis-α-Bisabolene
- Formula: C15H24
- Molecular weight: 204.3511
- 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:
- Other data available:
- Options:
Normal alkane RI, non-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 | SPB-5 | DB-5 | HP-5MS | DB-5 | HP-5MS |
Column length (m) | 30. | 30. | 30. | 30. | 30. |
Carrier gas | Nitrogen | He | He | Helium | He |
Substrate | |||||
Column diameter (mm) | 0.53 | 0.26 | 0.25 | 0.26 | 0.25 |
Phase thickness (μm) | 0.50 | 0.25 | 0.25 | 0.25 | 0.25 |
Tstart (C) | 50. | 60. | 60. | 60. | 60. |
Tend (C) | 210. | 240. | 280. | 290. | 250. |
Heat rate (K/min) | 3. | 3. | 3. | 3. | 2. |
Initial hold (min) | 5. | 8. | |||
Final hold (min) | 45. | 15. | |||
I | 1499. | 1504. | 1504. | 1504. | 1498. |
Reference | Gilani, Shah, et al., 2009 | Bos, Woerdenbag, et al., 2007 | Bozin B., Mlmica-Dukic N., et al., 2007 | Elfami, Bos, et al., 2007 | Ferhat, Meklati, et al., 2007 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-5 | DB-5 | BP-1 | 5 % Phenyl methyl siloxane | DB-5 |
Column length (m) | 30. | 30. | 50. | 30. | 30. |
Carrier gas | Hydrogen | Helium | He | Helium | He |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.26 | 0.22 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Tstart (C) | 50. | 60. | 60. | 60. | 60. |
Tend (C) | 250. | 290. | 220. | 280. | 220. |
Heat rate (K/min) | 4. | 3. | 2. | 3. | 4. |
Initial hold (min) | |||||
Final hold (min) | 20. | 30. | |||
I | 1501. | 1504. | 1493. | 1479. | 1508. |
Reference | Pontes, de Olivera, et al., 2007 | Elfami, Komar, et al., 2006 | Lesueur, Ban, et al., 2006 | Marongiu, Piras, et al., 2006 | Morteza-Semnani, Akbarzadeh, et al., 2006 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP-5 | CP Sil 5 CB | DB-5 | HP-5 | DB-5 |
Column length (m) | 25. | 25. | 50. | 30. | 30. |
Carrier gas | H2 | H2 | Helium | He | |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.25 | 0.3 | 0.32 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | |
Tstart (C) | 60. | 50. | 60. | 40. | 60. |
Tend (C) | 240. | 230. | 240. | 300. | 240. |
Heat rate (K/min) | 3. | 3. | 2. | 4. | 3. |
Initial hold (min) | |||||
Final hold (min) | 5. | ||||
I | 1509. | 1492. | 1499. | 1498. | 1503. |
Reference | Potzernheim, Bizzo, et al., 2006 | Tesso, König, et al., 2006 | Chagonda and Chalchat, 2005 | Utsunomia, Kawata, et al., 2005 | da Silva, Luz, et al., 2003 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|
Active phase | SPB-5 | DB-1 | SE-30 | SE-30 |
Column length (m) | 30. | 33. | 30. | 30. |
Carrier gas | Helium | N2 | ||
Substrate | ||||
Column diameter (mm) | 0.25 | 0.25 | ||
Phase thickness (μm) | 0.25 | 0.50 | ||
Tstart (C) | 60. | 50. | 50. | 50. |
Tend (C) | 250. | 135. | 240. | 240. |
Heat rate (K/min) | 4. | 20. | 4. | 4. |
Initial hold (min) | 2. | 2. | 2. | 2. |
Final hold (min) | 20. | 10. | 10. | |
I | 1504. | 1498. | 1496. | 1496. |
Reference | Pino, Marbot, et al., 2002 | Feger, Brandauer, et al., 2000 | Ramaswami, Briscese, et al., 1988 | Ramaswami, Briscese, et al., 1986 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane RI, non-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.
Gilani, Shah, et al., 2009
Gilani, A.H.; Shah, A.J.; Zubair, A.; Khalid, S.; Kiani, J.; Ahmed, A.; Rasheed, M.; Ahmad, V.U.,
Chemical composition and mechanisms underlying the spasmolytic and bronchodilatory properties of the essential oil of Nepeta cataria L.,
J. Ethnopharmacology, 2009, 121, 3, 405-411, https://doi.org/10.1016/j.jep.2008.11.004
. [all data]
Bos, Woerdenbag, et al., 2007
Bos, R.; Woerdenbag, H.J.; Kayser, O.; Quax, W.J.; Ruslan, K.; Elfami,
Essential oil constituents of Piper cubeba L. fils. from Indonesia,
J. Essent. Oil Res., 2007, 19, 1, 14-17, https://doi.org/10.1080/10412905.2007.9699217
. [all data]
Bozin B., Mlmica-Dukic N., et al., 2007
Bozin B.; Mlmica-Dukic N.; Samojlik I.; Jovin E.,
Antimicrobial and antioxidant properties of rosemary and sage (Rosmarinus officinalis L. and Salvia officinalis L., lamiaceae) essential oils,
J. Agric. Food Chem., 2007, 55, 19, 7879-7885, https://doi.org/10.1021/jf0715323
. [all data]
Elfami, Bos, et al., 2007
Elfami; Bos, R.; Ruslan, K.; Woerdenbag, H.J.; Kayser, P.; Quax, W.J.,
Essential Oil Constituents of Piper cubeba from Indonesia, 2007, 53-60. [all data]
Ferhat, Meklati, et al., 2007
Ferhat, M.A.; Meklati, B.Y.; Chemat, F.,
Comparison of different isolation methods of essential oil from Citrus fruits: cold pressing, hydrodistillation and microwave dry distillation,
Flavour Fragr. J., 2007, 22, 6, 494-504, https://doi.org/10.1002/ffj.1829
. [all data]
Pontes, de Olivera, et al., 2007
Pontes, W.J.T.; de Olivera, J.C.G.; da Camara, C.A.G.; Lopes, A.C.H.R.; Gondim Jr.; de Olivera, J.V.; Barros, R.; Schwartz, M.O.E.,
Chemical composition and acaridical activity of the leaf and fruit essential oils of Protium heptaphyllum (Aubl.) Marchand (Burseraceae),
Acta Amazonica, 2007, 37, 1, 103-110, https://doi.org/10.1590/S0044-59672007000100012
. [all data]
Elfami, Komar, et al., 2006
Elfami, R.B.; Komar, R.; Woerdenbag, H.J.; Kayser, P.; Quax, W.J.,
Essential oil constituents of Piper cubeba from Indonesia, 2006, retrieved from http://dissertations.ub.rug.nl/FILES/facultiew/science/2006/elfahmi/05c5.pdf. [all data]
Lesueur, Ban, et al., 2006
Lesueur, D.; Ban, N.K.; Bighelli, A.; Muselli, A.; Casanova, J.,
Analysis of the root oil of Fokienia hodginsii (Dunn) Henry et Thomas (Cupressaceae) by GC, GC-MS and 13C-NMR,
Flavour Fragr. J., 2006, 21, 1, 171-174, https://doi.org/10.1002/ffj.1557
. [all data]
Marongiu, Piras, et al., 2006
Marongiu, B.; Piras, A.; Porcedda, S.; Tuveri, E.; Maxia, A.,
Isolation of Seseli bocconi Guss. volatile oil by supercritical carbon dioxide extraction,
Natural Product Research, 2006, 20, 9, 820-826, https://doi.org/10.1080/14786410500364684
. [all data]
Morteza-Semnani, Akbarzadeh, et al., 2006
Morteza-Semnani, K.; Akbarzadeh, M.; Changizi, S.,
Essential oils composition of Stachys byzantina, S. inflata, S. lavandulifolia and S. laxa from Iran,
Flavour Fragr. J., 2006, 21, 2, 300-303, https://doi.org/10.1002/ffj.1594
. [all data]
Potzernheim, Bizzo, et al., 2006
Potzernheim, M.C.L.; Bizzo, H.R.; Vieira, R.F.,
Analysis of the essential oil of three species of Piper collected in the region of the Distrito Federal (Cerrado - Brazilian Savannah) and comparison with oils of plants from region of Paraty, State of Rio de Janeiro (Atlantic Rain Forest),
Brazilian Journal of Pharmacognosy, 2006, 16, 2, 246-251. [all data]
Tesso, König, et al., 2006
Tesso, H.; König, W.A.; Son, P.T.; Giang, P.M.,
Composition of the essential oil of flowers of Chloranthus spicatus (Thunb.) Makino,
Flavour Fragr. J., 2006, 21, 4, 592-597, https://doi.org/10.1002/ffj.1528
. [all data]
Chagonda and Chalchat, 2005
Chagonda, L.S.; Chalchat, J.-C.,
The essential oil of wild and cultivated Hoslundia opposita Vahl. from Zimbabwe,
Flavour Fragr. J., 2005, 20, 2, 193-195, https://doi.org/10.1002/ffj.1402
. [all data]
Utsunomia, Kawata, et al., 2005
Utsunomia, H.; Kawata, J.; Chanoki, W.; Shirakawa, N.; Miyazawa, M.,
Components of Essential Oil from Woods of Prunus mume Sieb. at Zucc.,
J. Oleo Sci., 2005, 54, 11, 609-612, https://doi.org/10.5650/jos.54.609
. [all data]
da Silva, Luz, et al., 2003
da Silva, J.D.; Luz, A.I.R.; da Silva, M.H.L.; Andrade, E.H.A.; Soghbi, M.G.B.; Maia, J.G.S.,
Essential oils of the leaves and stems of four Psidium spp.,
Flavour Fragr. J., 2003, 18, 3, 240-243, https://doi.org/10.1002/ffj.1219
. [all data]
Pino, Marbot, et al., 2002
Pino, J.A.; Marbot, R.; Vazquez, C.,
Characterization of volatiles in Loquat fruit (Eriobotrya japonica Lindl.),
Revista CENIC Ciencias Quimicas, 2002, 33, 3, 115-119. [all data]
Feger, Brandauer, et al., 2000
Feger, W.; Brandauer, H.; Ziegler, H.,
Sesquiterpene hydrocarbons of cold-pressed lime oils,
Flavour Fragr. J., 2000, 15, 4, 281-284, https://doi.org/10.1002/1099-1026(200007/08)15:4<281::AID-FFJ916>3.0.CO;2-W
. [all data]
Ramaswami, Briscese, et al., 1988
Ramaswami, S.K.; Briscese, P.; Gargiullo, R.J.; von Geldern, T.,
Sesquiterpene hydrocarbons: from mass confusion to orderly line-up
in Flavors and Fragrances: A World Perspective. Proceedings of the 10th International Congress of Essential Oils, Fragrances and Flavors, Lawrence,B.M.; Mookherjee,B.D.; Willis,B.J., ed(s)., Elsevier, New York, 1988, 951-980. [all data]
Ramaswami, Briscese, et al., 1986
Ramaswami, S.K.; Briscese, P.; Gargiullo, R.J.; von Geldern, T.,
Sesquiterpene hydrocarbons: from mass confusion to orderly line-up
in Flavors and Fragrances: A World Perspective, Lawrence,B.M.; Mookherjee,B.D.; Willis,B.J., ed(s)., Proceedings of the 10th International Congress of Essential Oils, Fragrances, and Flavors, Washington, DC, 1986, 951-959. [all data]
Notes
Go To: Top, Normal alkane RI, non-polar column, temperature ramp, References
- Symbols used in this document:
Tend Final temperature Tstart Initial temperature - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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