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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Normal alkane RI, 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 | RTX-Wax | TC-FFAP | BP-20 | FFAP | TC-Wax |
| Column length (m) | 60. | 50. | 20. | 60. | |
| Carrier gas | Helium | He | He | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.22 | 0.25 | 0.22 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | |
| Tstart (C) | 60. | 60. | 60. | 90. | 80. |
| Tend (C) | 230. | 220. | 220. | 250. | 240. |
| Heat rate (K/min) | 2. | 3. | 2. | 6. | 3. |
| Initial hold (min) | |||||
| Final hold (min) | 5. | 30. | 20. | ||
| I | 1733. | 1776. | 1720. | 1786. | 1770. |
| Reference | Bendiabdellah, El Amine Dib, et al., 2012 | Kurose, Okamura, et al., 2007 | Fanciullino, Tomi, et al., 2006 | Kitchlu, Bakshi, et al., 2006 | Miyazawa, Teranishi, et al., 2003 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary |
|---|---|---|
| Active phase | BP-20 | DB-Wax |
| Column length (m) | 50. | 60. |
| Carrier gas | He | Helium |
| Substrate | ||
| Column diameter (mm) | 0.22 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.25 |
| Tstart (C) | 60. | 50. |
| Tend (C) | 230. | 230. |
| Heat rate (K/min) | 2. | 5. |
| Initial hold (min) | 2. | |
| Final hold (min) | 35. | |
| I | 1724. | 1726. |
| Reference | Lota, de Rocca Serra, et al., 2001 | Paniandy, Chane-Ming, et al., 2000 |
| Comment | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane RI, 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.
Bendiabdellah, El Amine Dib, et al., 2012
Bendiabdellah, A.; El Amine Dib, M.; Djabou, N.; Allali, H.; Tabti, B.; Costa, J.; Myseli, A.,
Biological activities and volatile cinstituents of Daucus muricatus L. from Algeria,
Chem. Centr. J., 2012, 6, 48, 1-22. [all data]
Kurose, Okamura, et al., 2007
Kurose, K.; Okamura, D.; Yatagai, M.,
Composition of the essential oils from the leaves of nine Pinus species and the cones of three of Pinus species,
Flavour Fragr. J., 2007, 22, 1, 10-20, https://doi.org/10.1002/ffj.1609
. [all data]
Fanciullino, Tomi, et al., 2006
Fanciullino, A.-L.; Tomi, F.; Luro, F.; Desjobert, J.M.; Casanova, J.,
Chemical variability of peel and leaf oils of mandarins,
Flavour Fragr. J., 2006, 21, 2, 359-367, https://doi.org/10.1002/ffj.1658
. [all data]
Kitchlu, Bakshi, et al., 2006
Kitchlu, S.; Bakshi, S.K.; Kaul, M.K.; Bhan, M.K.; Thapa, R.K.; Agarwal, S.G.,
Tanacetum gracile Hook. f T. A new source of lavandulol from Ladakh Himalaya (India),
Flavour Fragr. J., 2006, 21, 4, 690-692, https://doi.org/10.1002/ffj.1674
. [all data]
Miyazawa, Teranishi, et al., 2003
Miyazawa, M.; Teranishi, A.; Ishikawa, Y.,
Components of the essential oil from Petasites japonicus,
Flavour Fragr. J., 2003, 18, 3, 231-233, https://doi.org/10.1002/ffj.1203
. [all data]
Lota, de Rocca Serra, et al., 2001
Lota, M.-L.; de Rocca Serra, D.; Tomi, F.; Casanova, J.,
Chemical variability of peel and leaf essential oils of 15 species of mandarins,
Biochem. Syst. Ecol., 2001, 29, 1, 77-104, https://doi.org/10.1016/S0305-1978(00)00029-6
. [all data]
Paniandy, Chane-Ming, et al., 2000
Paniandy, J.-C.; Chane-Ming, J.; Pierbattesti, J.-C.,
Chemical Composition of the Essential Oil and Headspace Solid-Phase Microextraction of the Guava Fruit (Psidium guajava L.),
J. Essent. Oil Res., 2000, 12, 153-158. [all data]
Notes
Go To: Top, Normal alkane RI, 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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