2,6-Octadienal, 3,7-dimethyl-, (E)-
- Formula: C10H16O
- Molecular weight: 152.2334
- 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.
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Phase change data
Go To: Top, Mass spectrum (electron ionization), Gas Chromatography, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled as indicated in comments:
BS - Robert L. Brown and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 502.2 | K | N/A | Weast and Grasselli, 1989 | BS |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 62.5 | kJ/mol | GC | Hoskovec, Grygarová, et al., 2005 | Based on data from 343. to 453. K.; AC |
ΔvapH° | 61. | kJ/mol | A | Stephenson and Malanowski, 1987 | Based on data from 283. to 333. K.; AC |
Reduced pressure boiling point
Tboil (K) | Pressure (bar) | Reference | Comment |
---|---|---|---|
391.7 | 0.027 | Weast and Grasselli, 1989 | BS |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
54.9 | 388. | A | Stephenson and Malanowski, 1987 | Based on data from 373. to 501. K.; AC |
Mass spectrum (electron ionization)
Go To: Top, Phase change data, Gas Chromatography, 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
Spectrum
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Additional Data
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Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
---|---|
Origin | Chemical Concepts |
NIST MS number | 159020 |
Gas Chromatography
Go To: Top, Phase change data, Mass spectrum (electron ionization), 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, Phase change data, Mass spectrum (electron ionization), 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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Notes
Go To: Top, Phase change data, Mass spectrum (electron ionization), Gas Chromatography, References
- Symbols used in this document:
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