1,3-Cyclohexadiene, 5-(1,5-dimethyl-4-hexenyl)-2-methyl-, [S-(R*,S*)]-
- Formula: C15H24
- Molecular weight: 204.3511
- IUPAC Standard InChIKey: KKOXKGNSUHTUBV-UHFFFAOYSA-N
- CAS Registry Number: 495-60-3
- 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: (-)-Zingiberene; l-Zingiberene; Zingiberene; α-Zingiberene; 5-(1,5-Dimethyl-4-hexenyl)-2-methyl-1,3-cyclohexadiene; α-zingibirene; [S-(R*,S*)]-5-(1,5-dimethylhexen-4-yl)-2-methyl-1,3-cyclohexa-1,3-diene
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Kovats' 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 | DB-1 | BP-1 | BP-1 | CP Sil 5 CB | SPB-1 |
Column length (m) | 30. | 25. | 30. | 25. | 30. |
Carrier gas | He | N2 | N2 | H2 | He |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.32 | 0.32 | 0.25 | 0.32 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.15 | 0.25 |
Tstart (C) | 50. | 60. | 60. | 50. | 60. |
Tend (C) | 280. | 220. | 220. | 230. | 225. |
Heat rate (K/min) | 5. | 5. | 5. | 3. | 2. |
Initial hold (min) | 3. | 3. | |||
Final hold (min) | 13. | 3. | 5. | ||
I | 1493. | 1491. | 1484. | 1486. | 1463. |
Reference | Allegrone, Belliardo, et al., 2006 | Raina, Verma, et al., 2006 | Srivastava, Srivastava, et al., 2006 | Ogunwande, Olawore, et al., 2003 | Jayaprakasha, Jena, et al., 2002 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | BP-1 | DB-1 | BP-5 | HP-5MS | DB-5 |
Column length (m) | 25. | 50. | 25. | 30. | 30. |
Carrier gas | N2 | N2 | He | He | He |
Substrate | |||||
Column diameter (mm) | 0.55 | 0.25 | 0.25 | 0.32 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Tstart (C) | 60. | 80. | 60. | 70. | 60. |
Tend (C) | 220. | 225. | 200. | 250. | 240. |
Heat rate (K/min) | 5. | 4. | 3. | 3. | 3. |
Initial hold (min) | 5. | ||||
Final hold (min) | 15. | ||||
I | 1487. | 1473. | 1496. | 1487. | 1500. |
Reference | Raina, Srivastava, et al., 2002 | Palá-Paúl, Velasco-Negueruela, et al., 2001 | Weissbecker B., Van Loon J.J.A., et al., 2000 | Siani, Ramos, et al., 1999 | da Silva, Andrade, et al., 1999 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Packed | Capillary |
---|---|---|
Active phase | OV-1 | Methyl Silicone |
Column length (m) | 1.83 | 12. |
Carrier gas | ||
Substrate | ||
Column diameter (mm) | 0.5 | |
Phase thickness (μm) | ||
Tstart (C) | 90. | 70. |
Tend (C) | 200. | 250. |
Heat rate (K/min) | 15. | 4. |
Initial hold (min) | ||
Final hold (min) | 15. | |
I | 1454. | 1471.8 |
Reference | Carter, Gianfagna, et al., 1989 | Rao, Rajanikanth, et al., 1989 |
Comment | MSDC-RI | MSDC-RI |
References
Go To: Top, Kovats' 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.
Allegrone, Belliardo, et al., 2006
Allegrone, G.; Belliardo, F.; Cabella, P.,
Comparison of volatile concentrations in hand-squeezed juices of four different lemon varieties,
J. Agric. Food Chem., 2006, 54, 5, 1844-1848, https://doi.org/10.1021/jf051206s
. [all data]
Raina, Verma, et al., 2006
Raina, V.K.; Verma, S.C.; Dhawan, S.; Khan, M.; Ramesh, S.; Singh, S.C.; Yadav, A.; Srivastava, S.K.,
Essential oil composition of Murraya exotica from the plains of northern India,
Flavour Fragr. J., 2006, 21, 1, 140-142, https://doi.org/10.1002/ffj.1547
. [all data]
Srivastava, Srivastava, et al., 2006
Srivastava, A.K.; Srivastava, S.K.; Syamsundar, K.V.,
Volatile composition of Curcuma angustifolia Roxb. rhizome from central and southern India,
Flavour Fragr. J., 2006, 21, 3, 423-426, https://doi.org/10.1002/ffj.1680
. [all data]
Ogunwande, Olawore, et al., 2003
Ogunwande, I.A.; Olawore, N.O.; Kasali, A.A.; König, W.A.,
Chemical composition of the leaf volatile oils of Callitris intratropica R.T. Baker H.G. Smith from Nigeria,
Flavour Fragr. J., 2003, 18, 5, 387-389, https://doi.org/10.1002/ffj.1214
. [all data]
Jayaprakasha, Jena, et al., 2002
Jayaprakasha, G.K.; Jena, B.S.; Negi, P.S.; Sakariah, K.K.,
Evaluation of antioxidant activities and antimutagenicity of turmeric oil: a byproduct from curcumin production,
Z. Naturforsch. C:, 2002, 57c, 828-835, retrieved from http://www.znaturforsch.com/57c/s57c0828.pdf. [all data]
Raina, Srivastava, et al., 2002
Raina, V.K.; Srivastava, S.K.; Jain, N.; Ahmad, A.; Syamasundar, K.V.; Aggarwal, K.K.,
Essential oil composition of Curcuma longa L. cv. Roma from the plains of northern India,
Flavour Fragr. J., 2002, 17, 2, 99-102, https://doi.org/10.1002/ffj.1053
. [all data]
Palá-Paúl, Velasco-Negueruela, et al., 2001
Palá-Paúl, J.; Velasco-Negueruela, A.; Pérez-Alonso, M.J.; Sanz, J.,
Analysis of the volatile components of Argyranthemum adauctum (Link.) Humphries by gas chromatography-mass spectrometry,
J. Chromatogr. A, 2001, 923, 1-2, 295-298, https://doi.org/10.1016/S0021-9673(01)01003-2
. [all data]
Weissbecker B., Van Loon J.J.A., et al., 2000
Weissbecker B.; Van Loon J.J.A.; Posthumus M.A.; Bouwmeester H.J.; Dicke M.,
Identification of volatile potato sesquiterpenoids and their olfactory detection by the two-spotted stinkbug Perillus bioculatus,
J. Chem. Ecol., 2000, 26, 6, 1433-1445, https://doi.org/10.1023/A:1005535708866
. [all data]
Siani, Ramos, et al., 1999
Siani, A.C.; Ramos, M.F.S.; Menezes-de-Lima, O., Jr.; Ribeiro-dos-Santos, R.; Fernadez-Ferreira, E.; Soares, R.O.A.; Rosas, E.C.; Susunaga, G.S.; Guimarães, A.C.; Zoghbi, M.G.B.; Henriques, M.G.M.O.,
Evaluation of anti-inflammatory-related activity of essential oils from the leaves and resin of species of Protium,
J. Ethnopharmacol., 1999, 66, 1, 57-69, https://doi.org/10.1016/S0378-8741(98)00148-2
. [all data]
da Silva, Andrade, et al., 1999
da Silva, M.H.L.; Andrade, E.H.A.; Zoghbi, M.G.B.; Luz, A.I.R.; da Silva, J.D.; Maia, J.G.S.,
The essential oils of Lantana camara L. occurring in North Brazil,
Flavour Fragr. J., 1999, 14, 4, 208-210, https://doi.org/10.1002/(SICI)1099-1026(199907/08)14:4<208::AID-FFJ811>3.0.CO;2-F
. [all data]
Carter, Gianfagna, et al., 1989
Carter, C.D.; Gianfagna, T.J.; Sacalis, J.N.,
Sesquiterpenes in glandular trichomes of a wild tomato species and toxicity to the Colorado potato beetle,
J. Agric. Food Chem., 1989, 37, 5, 1425-1428, https://doi.org/10.1021/jf00089a048
. [all data]
Rao, Rajanikanth, et al., 1989
Rao, A.S.; Rajanikanth, B.; Seshadri, R.,
Volatile aroma components of Curcuma amada Roxb.,
J. Agric. Food Chem., 1989, 37, 3, 740-743, https://doi.org/10.1021/jf00087a036
. [all data]
Notes
Go To: Top, Kovats' 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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