2,6-Octadienal, 3,7-dimethyl-, (Z)-
- Formula: C10H16O
- Molecular weight: 152.2334
- IUPAC Standard InChIKey: WTEVQBCEXWBHNA-YFHOEESVSA-N
- CAS Registry Number: 106-26-3
- 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: β-Citral; cis-Citral; cis-3,7-Dimethyl-2,6-octadienal; beta-Citral; Neral; Z-Citral; (Z)-3,7-Dimethyl-2,6-octadienal; Citral B; (2Z)-3,7-Dimethyl-2,6-octadienal; 2,6-Octadienal, 3,7-dimethyl-, (2Z)-; (Z)-Neral; Neroli aldehyde; (Z)-3,7-Dimethylocta-2,6-dienal; Z-Citral (neral)
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Other data available:
- Options:
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 | HP-5MS | HP-5 | CP Sil 8 CB | CP Sil 8 CB |
Column length (m) | 30. | 60. | 25. | 30. | 30. |
Carrier gas | He | He | H2 | H2 | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.2 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.33 | 0.25 | 0.25 |
Tstart (C) | 50. | 40. | 60. | 50. | 50. |
Tend (C) | 280. | 250. | 240. | 220. | 220. |
Heat rate (K/min) | 5. | 3. | 3. | 3. | 3. |
Initial hold (min) | 3. | 1. | 2. | 2. | |
Final hold (min) | 20. | ||||
I | 1214. | 1249. | 1245. | 1244. | 1244. |
Reference | Allegrone, Belliardo, et al., 2006 | Jalali-Heravi, Zekavat, et al., 2006 | Oliveira, Leitao, et al., 2006 | Tayoub, Schwob, et al., 2006 | Tayoub, Schwob, et al., 2006, 2 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | SPB-5 | HP-5MS | CP Sil 5 CB | SPB-1 | DB-5 |
Column length (m) | 60. | 30. | 25. | 30. | 50. |
Carrier gas | He | He | H2 | He | He |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.25 | 0.25 | 0.32 | 0.32 |
Phase thickness (μm) | 1. | 0.25 | 0.15 | 0.25 | 0.25 |
Tstart (C) | 60. | 60. | 50. | 50. | 50. |
Tend (C) | 200. | 200. | 230. | 250. | 280. |
Heat rate (K/min) | 4. | 4. | 3. | 2. | 5. |
Initial hold (min) | 1. | 2. | 2. | ||
Final hold (min) | 30. | 15. | 5. | 10. | |
I | 1244. | 1242. | 1236. | 1227. | 1256. |
Reference | Gauvin, Lecomte, et al., 2004 | Juliani, Zygadlo, et al., 2004 | Ogunwande, Olawore, et al., 2004 | Yadav, Chauhan, et al., 2004 | Baranauskiene, Venskutonis, et al., 2003 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP-5 | DB-1 | DB-5 | DB-5 | DB-5 |
Column length (m) | 30. | 30. | 30. | 30. | 30. |
Carrier gas | He | He | He | He | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.26 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | |
Tstart (C) | 60. | 80. | 60. | 60. | 60. |
Tend (C) | 200. | 225. | 180. | 246. | 240. |
Heat rate (K/min) | 4. | 4. | 2. | 3. | 3. |
Initial hold (min) | 1. | ||||
Final hold (min) | 15. | ||||
I | 1248. | 1222. | 1239. | 1240. | 1241. |
Reference | Juliani and Simon, 2002 | Abella, Cortella, et al., 2000 | Rao, Rout, et al., 2000 | Adams, 1999 | da Silva, Andrade, et al., 1999 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|
Active phase | Methyl Silicone | DB-5 | SE-30 | Methyl Silicone |
Column length (m) | 25. | 30. | 25. | 12. |
Carrier gas | N2 | He | N2 | |
Substrate | ||||
Column diameter (mm) | 0.5 | 0.25 | 0.2 | 0.5 |
Phase thickness (μm) | 0.25 | |||
Tstart (C) | 60. | 60. | 60. | 70. |
Tend (C) | 220. | 240. | 180. | 250. |
Heat rate (K/min) | 5. | 4. | 3. | 4. |
Initial hold (min) | 10. | |||
Final hold (min) | 1. | 15. | ||
I | 1217. | 1238. | 1215. | 1222.0 |
Reference | Mallavarapu, Rao, et al., 1998 | Zoghbi, Andrade, et al., 1998 | Jantan, Ahmad, et al., 1996 | Rao, Rajanikanth, et al., 1989 |
Comment | MSDC-RI | MSDC-RI | 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]
Jalali-Heravi, Zekavat, et al., 2006
Jalali-Heravi, M.; Zekavat, B.; Sereshti, H.,
Characterization of essential oil components of Iranian geranium oil using gas chromatography-mass spectrometry combined with chemometric resolution techniques,
J. Chromatogr. A, 2006, 1114, 1, 154-163, https://doi.org/10.1016/j.chroma.2006.02.034
. [all data]
Oliveira, Leitao, et al., 2006
Oliveira, D.R.; Leitao, G.G.; Santos, S.S.; Bizzo, H.R.; Lopes, D.; Alviano, C.S.; Alviano, D.S.; Leitao, S.G.,
Ethnopharmacological study of two Lippia species from Oriximina, Brazil,
J. Ethnopharmacol., 2006, 108, 1, 103-108, https://doi.org/10.1016/j.jep.2006.04.018
. [all data]
Tayoub, Schwob, et al., 2006
Tayoub, G.; Schwob, I.; Bessiere, J.-M.; Masotti, V.; Rabier, J.; Ruzzier, M.; Viano, J.,
Composition of volatile oils of Styrax (Styrax officinalis L.) leaves at different phenological stages,
Biochem. Syst. Ecol., 2006, 34, 9, 705-709, https://doi.org/10.1016/j.bse.2006.05.008
. [all data]
Tayoub, Schwob, et al., 2006, 2
Tayoub, G.; Schwob, I.; Bessière, J.-M.; Rabier, J.; Masotti, V.; J.; M.; Girard, G.; Viano, J.,
Essential oil composition of leaf, flower and stem of Styrax (Styrax officinalis L.) from south-eastern France,
Flavour Fragr. J., 2006, 21, 5, 809-812, https://doi.org/10.1002/ffj.1731
. [all data]
Gauvin, Lecomte, et al., 2004
Gauvin, A.; Lecomte, H.; Smadja, J.,
Comparative investigations of the essential oils of two scented geranium (Pelargonium spp.) cultivars grown on Reunion Island,
Flavour Fragr. J., 2004, 19, 5, 455-460, https://doi.org/10.1002/ffj.1354
. [all data]
Juliani, Zygadlo, et al., 2004
Juliani, H.R.; Zygadlo, J.A.; Scrivanti, R.; de la Sota, E.; Simon, J.E.,
The essential oil of Anemia tomentosa (Savigny) Sw. var. anthriscifolia (Schrad.) Mickel,
Flavour Fragr. J., 2004, 19, 6, 541-543, https://doi.org/10.1002/ffj.1341
. [all data]
Ogunwande, Olawore, et al., 2004
Ogunwande, I.A.; Olawore, N.O.; Adeleke, K.A.; Ekundayo, O.; König, W.A.,
Rare terpenoid esters from Hyparrhenia rufa (Nees) Stapf. growing wild in Nigeria,
Flavour Fragr. J., 2004, 19, 3, 239-243, https://doi.org/10.1002/ffj.1295
. [all data]
Yadav, Chauhan, et al., 2004
Yadav, A.R.; Chauhan, A.S.; Rekha, M.N.; Rao, L.J.M.; Ramteke, R.S.,
Flavour quality of dehydrated lime [Citrus aurantifolia (Christm.) Swingle],
Food Chem., 2004, 85, 1, 59-62, https://doi.org/10.1016/j.foodchem.2003.06.002
. [all data]
Baranauskiene, Venskutonis, et al., 2003
Baranauskiene, R.; Venskutonis, R.P.; Demyttenaere, J.C.R.,
Sensory and instrumental evaluation of catnip (Nepeta cataria L.) aroma,
J. Agric. Food Chem., 2003, 51, 13, 3840-3848, https://doi.org/10.1021/jf021187b
. [all data]
Juliani and Simon, 2002
Juliani, H.R.; Simon, J.E.,
Antioxidant acitivity of basil
in Trends in new crops and new uses, Janick,J.; Whipkey,A., ed(s)., ASHA Press, Alexandria, Va, 2002, 575-579. [all data]
Abella, Cortella, et al., 2000
Abella, L.; Cortella, A.R.; Velasco-Negueruela, A.; Pérez-Alonso, M.J.,
Ethnobotany, volatile oils and secretion tissues of Werneria poposa from Argentina,
Pharm. Biol., 2000, 38, 3, 197-203, https://doi.org/10.1076/1388-0209(200007)3831-SFT197
. [all data]
Rao, Rout, et al., 2000
Rao, Y.R.; Rout, P.K.; Jena, K.S.; Sahu, S.B.,
Composition of essential oil of citronella (Cymbopogon winterianus jowitt) grown in coastal Orissa,
Fafai J., 2000, 2, 4, 29-31. [all data]
Adams, 1999
Adams, R.P.,
Systematics of multi-seeded eastern hemisphere Juniperus based on leaf essential oils and RAPD DNA fingerprinting,
Biochem. Syst. Ecol., 1999, 27, 7, 709-725, https://doi.org/10.1016/S0305-1978(99)00016-2
. [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]
Mallavarapu, Rao, et al., 1998
Mallavarapu, G.R.; Rao, B.R.R.; Kaul, P.N.; Ramesh, S.; Bhattacharya, A.K.,
Volatile constituents of the essential oils of the seeds and the herb of palmarosa (Cymbopogon martinii (Roxb.) Wats. var. motia Burk.),
Flavour Fragr. J., 1998, 13, 3, 167-169, https://doi.org/10.1002/(SICI)1099-1026(199805/06)13:3<167::AID-FFJ719>3.0.CO;2-B
. [all data]
Zoghbi, Andrade, et al., 1998
Zoghbi, M.G.B.; Andrade, E.H.A.; Santos, A.S.; Silva, M.H.L.; Maia, J.G.S.,
Essential oils of Lippia alba (Mill.) N. E. Br growing wild in the Brazilian Amazon,
Flavour Fragr. J., 1998, 13, 1, 47-48, https://doi.org/10.1002/(SICI)1099-1026(199801/02)13:1<47::AID-FFJ690>3.0.CO;2-0
. [all data]
Jantan, Ahmad, et al., 1996
Jantan, I.; Ahmad, A.S.; Ahmad, A.R.; Ali, N.A.M.; Ayop, N.,
Chemical composition of some citrus oils from Malaysia,
J. Essent. Oil Res., 1996, 8, 6, 627-632, https://doi.org/10.1080/10412905.1996.9701030
. [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
- The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
- Customer support for NIST Standard Reference Data products.