2,6-Octadienal, 3,7-dimethyl-, (E)-
- Formula: C10H16O
- Molecular weight: 152.2334
- IUPAC Standard InChI: InChI=1S/C10H16O/c1-9(2)5-4-6-10(3)7-8-11/h5,7-8H,4,6H2,1-3H3/b10-7+
- IUPAC Standard InChIKey: WTEVQBCEXWBHNA-JXMROGBWSA-N
- CAS Registry Number: 141-27-5
- 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: α-Citral; (E)-Citral; trans-Citral; trans-3,7-Dimethyl-2,6-octadienal; Citral a; Geranaldehyde; Geranial; Citral α; (E)-3,7-Dimethyl-2,6-octadienal; (E)-3,7-Dimethylocta-2,6-dienal; trans-3,7-dimethyl-octa-2,6-dienal; (E)-Geranial; (E)-Neral; 2,6-Octadienal, 3,7-dimethyl-, (2E)-; β-Geranial; trans-3,7-dimethyl-2,6-octadienal (geranial); geranial (α-Citral); E-Citral (geranial)
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Other data available:
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Gas Chromatography
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
Kovats' RI, non-polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Capillary | PB-1 | 130. | 1250. | Engewald, Knobloch, et al., 1991 | Column length: 42. m; Column diameter: 0.32 mm |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | CP-Sil PONA GB | 1249. | Cunicao, Lopes, et al., 2007 | 100. m/0.25 mm/0.25 μm, He, 140. C @ 10. min, 5. K/min, 230. C @ 25. min |
| Capillary | Equity-5 | 1287. | Rocha, Coelho, et al., 2007 | 60. m/0.25 mm/1. μm, He, 40. C @ 1. min, 5. K/min, 260. C @ 15. min |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-5 | 1271. | Wang, Finn, et al., 2005 | 30. m/0.32 mm/1. μm, He; Program: 40C(2min) => 5C/min => 100C => 4C/min => 230C (10min) |
| Capillary | DB-5 | 1270. | Beaulieu and Grimm, 2001 | 30. m/0.25 mm/0.25 μm, He; Program: 50C (1min) => 5C/min => 100C => 10C/min => 250C (9min) |
Van Den Dool and Kratz RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-Wax | 1733. | Pozo-Bayon M.A., Ruiz-Rodriguez A., et al., 2007 | 30. m/0.25 mm/0.5 μm, He, 40. C @ 5. min, 4. K/min, 250. C @ 15. min |
| Capillary | DB-Wax | 1714. | Osorio, Alarcon, et al., 2006 | 30. m/0.25 mm/0.25 μm, He, 50. C @ 4. min, 4. K/min, 220. C @ 20. min |
| Capillary | DB-Wax | 1731. | Cha, Kim, et al., 1998 | 60. m/0.25 mm/0.25 μm, 40. C @ 5. min, 3. K/min, 200. C @ 60. min |
Van Den Dool and Kratz RI, polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-Wax | 1718. | Guillot, Peytavi, et al., 2006 | 30. m/0.25 mm/0.25 μm, He; Program: 60C => 5C/min => 200C => 6C/min => 250C(5min) |
| Capillary | Stabilwax | 1729. | Wang, Finn, et al., 2005 | 30. m/0.32 mm/1. μm, He; Program: 40C(2min) => 5C/min => 100C => 4C/min => 230C (10min) |
| Capillary | Stabilwax | 1725. | Wang, Finn, et al., 2005 | 30. m/0.32 mm/1. μm, He; Program: 40C(2min) => 5C/min => 100C => 4C/min => 230C (10min) |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5 | 1269. | Bertuzzi, Tirillini, et al., 2013 | 30. m/0.25 mm/0.25 μm, Helium, 60. C @ 3. min, 4. K/min, 300. C @ 15. min |
| Capillary | RTX-5 MS | 1278. | Pinheiro, de Queiros, et al., 2013 | Helium, 3. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tstart: 60. C; Tend: 240. C |
| Capillary | RTX-1 | 1244. | Bendiabdellah, El Amine Dib, et al., 2012 | 60. m/0.22 mm/0.25 μm, Helium, 2. K/min, 230. C @ 5. min; Tstart: 60. C |
| Capillary | DB-5 | 1277. | Boukhris, Bouaziz, et al., 2012 | 30. m/0.25 mm/0.25 μm, Helium, 100. C @ 1. min, 10. K/min, 260. C @ 10. min |
| Capillary | HP-5 MS | 1269. | Fanaro, Duarte, et al., 2012 | 30. m/0.25 mm/0.25 μm, Helium, 50. C @ 0.5 min, 5. K/min, 250. C @ 0.5 min |
| Capillary | CP-Sil 5 CB | 1268. | Ameen, Usman, et al., 2011 | 25. m/0.25 mm/0.15 μm, Helium; Tstart: 50. C; Tend: 220. C |
| Capillary | SE-30 MS | 1275. | Menichini, Tundis, et al., 2011 | 30. m/0.25 mm/0.25 μm, Helium, 50. C @ 5. min, 5. K/min, 250. C @ 10. min |
| Capillary | HP-5 MS | 1269. | Miyazawa, Marumoto, et al., 2011 | 30. m/0.25 mm/0.25 μm, Helium, 4. K/min, 260. C @ 5. min; Tstart: 40. C |
| Capillary | DB-5 MS | 1271. | Mesa-Arango, Betancur-Galvis, et al., 2010 | 60. m/0.25 mm/0.25 μm, Helium, 40. C @ 15. min, 5. K/min, 250. C @ 15. min |
| Capillary | DB-5 MS | 1279. | Mesa-Arango, Betancur-Galvis, et al., 2010 | 60. m/0.25 mm/0.25 μm, Helium, 40. C @ 15. min, 5. K/min, 250. C @ 15. min |
| Capillary | BP-1 | 1244. | Mishra, Chaudhary, et al., 2010 | Nitrogen, 60. C @ 10. min, 5. K/min, 220. C @ 30. min |
| Capillary | HP-5 MS | 1273. | Radulovic, Blagojevic, et al., 2010 | 30. m/0.25 mm/0.25 μm, Helium, 5. K/min, 290. C @ 10. min; Tstart: 70. C |
| Capillary | DB-1-MS | 1241. | Takeoka, Hobbs, et al., 2010 | 60. m/0.25 mm/0.25 μm, Helium, 30. C @ 4. min, 2. K/min, 200. C @ 35. min |
| Capillary | CP Sil 5 CB | 1268. | Usman, Zubair, et al., 2010 | 25. m/0.25 mm/0.15 μm, 3. K/min; Tstart: 50. C; Tend: 230. C |
| Capillary | DB-1 | 1246. | Xu, Tang, et al., 2010 | 30. m/0.25 mm/0.25 μm, Helium, 50. C @ 2. min, 4. K/min, 220. C @ 2. min |
| Capillary | ZB-5 | 1218. | Gardini, Beletti, et al., 2009 | 30. m/0.25 mm/0.25 μm, Helium, 3. K/min, 240. C @ 1. min; Tstart: 50. C |
| Capillary | DB-5 | 1267. | Ho, Wang, et al., 2009 | 30. m/0.25 mm/0.25 μm, Helium, 50. C @ 2. min, 5. K/min; Tend: 250. C |
| Capillary | DB-5 MS | 1267. | Koba, Sanda, et al., 2009 | 30. m/0.25 mm/0.25 μm, Helium, 50. C @ 5. min, 2. K/min; Tend: 250. C |
| Capillary | HP-5 | 1270. | Maridass, 2009 | 25. m/0.20 mm/0.33 μm, Helium, 3. K/min, 240. C @ 7. min; Tstart: 60. C |
| Capillary | BP-1 | 1249. | Ottavioli, Bighelli, et al., 2009 | 50. m/0.22 mm/0.25 μm, Helium, 2. K/min, 220. C @ 20. min; Tstart: 60. C |
| Capillary | HP-5 | 1270. | Saeidnia and Hadjiakhoondi, 2008 | 30. m/0.25 mm/0.25 μm, Nitrogen, 100. C @ 1. min, 5. K/min, 200. C @ 15. min |
| Capillary | DBP-5 | 1236. | Heravi and Sereshti, 2007 | 25. m/0.25 mm/0.22 μm, Helium, 40. C @ 1. min, 3. K/min, 250. C @ 10. min |
| Capillary | FSOT-RSL-200 | 1267. | Jirovetz, Eller, et al., 2006 | 30. m/0.32 mm/0.25 μm, Hydrogen, 40. C @ 5. min, 6. K/min, 280. C @ 5. min |
| Capillary | OV-101 | 1260. | Lattoo, Dhar, et al., 2006 | 25. m/0.25 mm/0.25 μm, He, 8. K/min; Tstart: 100. C; Tend: 250. C |
| Capillary | DB-1 | 1223. | Sawamura, Sou, et al., 2004 | 60. m/0.25 mm/0.25 μm, Nitrogen, 70. C @ 2. min, 2. K/min; Tend: 230. C |
| Capillary | MPS-5 | 1268. | Nakahara, Alzoreky, et al., 2003 | 70. C @ 2. min, 5. K/min; Tend: 180. C |
| Capillary | DB-1 | 1252. | Nishimura, 1995 | 60. m/0.32 mm/0.25 μm, He, 4. K/min; Tstart: 80. C; Tend: 210. C |
| Capillary | SE-30 | 1252. | Peacock and Kuneman, 1985 | N2, 45. C @ 1. min, 4. K/min; Column length: 100. m; Column diameter: 0.25 mm; Tend: 250. C |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | RTX-5 MS | 1270. | Pinheiro, de Queiros, et al., 2013 | Helium; Column length: 30. m; Column diameter: 0.25 mm; Program: not specified |
| Capillary | DB-1 | 1240. | Albano, Lima, et al., 2012 | 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 | RTX-1 | 1239. | Bendiabdellah, El Amine Dib, et al., 2012 | 60. m/0.22 mm/0.25 μm, Helium; Program: not specified |
| Capillary | SLB-5 MS | 1268. | Mondello, 2012 | 30. m/0.25 mm/0.25 μm, Helium; Program: not specified |
| Capillary | SLB-5 MS | 1273. | Mondello, 2012 | 30. m/0.25 mm/0.25 μm, Helium; Program: not specified |
| Capillary | Siloxane, 5 % Ph | 1275. | VOC BinBase, 2012 | Program: not specified |
| Capillary | DB-5 | 1268. | Miyazaki, Plotto, et al., 2011 | 60. m/0.25 mm/1.00 μm, Helium; Program: 40 0C 4 0C/min -> 230 0C 100 0C/min -> 260 0C (11.7 min) |
| Capillary | HP-5 MS | 1270. | Nance and Setzer, 2011 | 30. m/0.25 mm/0.25 μm, Helium; Program: 40 0C (10 min) 3 0C/min -> 200 0C 2 0C/min -> 220 0C |
| Capillary | HP-5 MS | 1271. | Payo, Colo, et al., 2011 | Program: not specified |
| Capillary | HP-5 MS | 1271. | Payo, Colo, et al., 2011 | Program: not specified |
| Capillary | Polydimethyl siloxane, 5 % phenyl | 1275. | Skogerson, Wohlgemuth, et al., 2011 | Program: not specified |
| Capillary | HP-5 | 1267. | Wang, Liu, et al., 2011 | 30. m/0.25 mm/0.25 μm, Helium; Program: 60 0C (1 min) 10 0C/min -> 180 0C (1 min) 20 0C/min -> 280 0C (15 min) |
| Capillary | DB-5 | 1270. | Nezhadali and Parsa, 2010 | 30. m/0.20 mm/0.32 μm, Helium; Program: 60 0C (1 min) 3 0C/min -> 140 0C 50 0C/min -> 250 0C (3 min) |
| Capillary | DB-1-MS | 1241. | Takeoka, Hobbs, et al., 2010 | 60. m/0.25 mm/0.25 μm, Helium; Program: not specified |
| Capillary | DB-1 | 1262. | Xu, Tang, et al., 2010 | 30. m/0.25 mm/0.25 μm, Helium; Program: not specified |
| Capillary | HP-5 | 1265. | Custer, 2009 | 25. m/0.32 mm/0.17 μm, Helium; Program: 60 0C (5 min) 4 0C/min -> 220 0C 11 0C/min -> 280 0C (15 min) |
| Capillary | HP-5 | 1264. | Custer, 2009 | 25. m/0.32 mm/0.17 μm, Helium; Program: not specified |
| Capillary | DB-5 | 1272. | Yang, Yang, et al., 2009 | 30. m/0.25 mm/0.25 μm, Helium; Program: 50 0C 95 min) 3 0C/min -> 100 0C 4 0C/min -> 160 0C 5 0C/min -> 220 0C (15 min) |
| Capillary | DB-5 | 1270. | Beaulieu and Lancaster, 2007 | 30. m/0.25 mm/0.25 μm; Program: 50C(1min) => 5C/min => 100C => 10C/min => 250C (9min) |
| Capillary | 5 % Phenyl methyl siloxane | 1272. | Beaulieu J.C. and Lea J.M., 2006 | 30. m/0.25 mm/0.75 μm; Program: 50C(1min) => 5C/min => 100C => 10C/min => 190C => 30C/min => 250C(1min) |
| Capillary | DB-1 | 1249. | Nishimura, 1995 | 60. m/0.32 mm/0.25 μm, He; Program: not specified |
Normal alkane RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | BP-20 | 1730. | Mishra, Chaudhary, et al., 2010 | Nitrogen, 5. K/min; Tstart: 60. C; Tend: 200. C |
| Capillary | BP-20 | 1743. | Ottavioli, Bighelli, et al., 2009 | 50. m/0.22 mm/0.25 μm, Helium, 2. K/min, 220. C @ 20. min; Tstart: 60. C |
| Capillary | DB-Wax | 1737. | Lattoo, Dhar, et al., 2006 | 25. m/0.25 mm/0.25 μm, He, 8. K/min; Tstart: 100. C; Tend: 250. C |
| Capillary | DB-Wax | 1721. | Lee, Umano, et al., 2005 | 30. m/0.25 mm/0.25 μm, He, 3. K/min, 180. C @ 40. min; Tstart: 50. C |
| Capillary | DB-Wax | 1744. | Sawamura, Sou, et al., 2004 | 60. m/0.25 mm/0.25 μm, Nitrogen, 70. C @ 2. min, 2. K/min; Tend: 230. C |
| Capillary | DB-Wax | 1726. | Umano, Hagi, et al., 2000 | 60. m/0.25 mm/0.25 μm, He, 40. C @ 2. min, 2. K/min; Tend: 200. C |
Normal alkane RI, polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Supelco CO Wax-10 | 1738. | Prompona, Kandylis, et al., 2012 | 60. m/0.32 mm/0.25 μm, Helium; Program: 35 0C (6 min) 2 0C/min -> 60 0C (5 min) 5 0C/min -> 200 0C 25 0C/min -> 250 0C (6 min) |
| Capillary | Supelco CO Wax-10 | 1741. | Prompona, Kandylis, et al., 2012 | 60. m/0.32 mm/0.25 μm, Helium; Program: not specified |
| Capillary | CP-Wax 52 CB | 1735. | Genisheva and Oliveira, 2009 | 50. m/0.25 mm/0.20 μm, Helium; Program: 60 0C (5 min) 3 0C/min -> 250 0C (20 min) 1 0C/min -> 255 0C |
References
Go To: Top, 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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Koba, Sanda, et al., 2009
Koba, K.; Sanda, K.; Guyon, C.; Raynaud, C.; Chaumont, J.-P.; Nicod, L.,
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Maridass, 2009
Maridass, M.,
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Saeidnia and Hadjiakhoondi, 2008
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Peacock, V.E.; Kuneman, D.W.,
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VOC BinBase, 2012
VOC BinBase,
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Miyazaki, Plotto, et al., 2011
Miyazaki, T.; Plotto, A.; Goodner, K.; Gmitter F.G.,
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Nance and Setzer, 2011
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Beaulieu, J.C.; Lancaster, V.A.,
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Beaulieu J.C.; Lea J.M.,
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. [all data]
Notes
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