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:
- Options:
Normal alkane RI, non-polar column, custom temperature program
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-5 MS | DB-1 | RTX-1 | SLB-5 MS | SLB-5 MS |
| Column length (m) | 30. | 30. | 60. | 30. | 30. |
| Carrier gas | Helium | Hydrogen | Helium | Helium | Helium |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.22 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | |
| Program | not specified | 45 0C 3 0C/min -> 175 0C 15 0C/min -> 300 0C (10 min) | not specified | not specified | not specified |
| I | 1270. | 1240. | 1239. | 1268. | 1273. |
| Reference | Pinheiro, de Queiros, et al., 2013 | Albano, Lima, et al., 2012 | Bendiabdellah, El Amine Dib, et al., 2012 | Mondello, 2012 | Mondello, 2012 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | Siloxane, 5 % Ph | DB-5 | HP-5 MS | HP-5 MS | HP-5 MS |
| Column length (m) | 60. | 30. | |||
| Carrier gas | Helium | Helium | |||
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | |||
| Phase thickness (μm) | 1.00 | 0.25 | |||
| Program | not specified | 40 0C 4 0C/min -> 230 0C 100 0C/min -> 260 0C (11.7 min) | 40 0C (10 min) 3 0C/min -> 200 0C 2 0C/min -> 220 0C | not specified | not specified |
| I | 1275. | 1268. | 1270. | 1271. | 1271. |
| Reference | VOC BinBase, 2012 | Miyazaki, Plotto, et al., 2011 | Nance and Setzer, 2011 | Payo, Colo, et al., 2011 | Payo, Colo, et al., 2011 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | Polydimethyl siloxane, 5 % phenyl | HP-5 | DB-5 | DB-1-MS | DB-1 |
| Column length (m) | 30. | 30. | 60. | 30. | |
| Carrier gas | Helium | Helium | Helium | Helium | |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.20 | 0.25 | 0.25 | |
| Phase thickness (μm) | 0.25 | 0.32 | 0.25 | 0.25 | |
| Program | not specified | 60 0C (1 min) 10 0C/min -> 180 0C (1 min) 20 0C/min -> 280 0C (15 min) | 60 0C (1 min) 3 0C/min -> 140 0C 50 0C/min -> 250 0C (3 min) | not specified | not specified |
| I | 1275. | 1267. | 1270. | 1241. | 1262. |
| Reference | Skogerson, Wohlgemuth, et al., 2011 | Wang, Liu, et al., 2011 | Nezhadali and Parsa, 2010 | Takeoka, Hobbs, et al., 2010 | Xu, Tang, et al., 2010 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | HP-5 | HP-5 | DB-5 | DB-5 | 5 % Phenyl methyl siloxane |
| Column length (m) | 25. | 25. | 30. | 30. | 30. |
| Carrier gas | Helium | Helium | Helium | ||
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.32 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.17 | 0.17 | 0.25 | 0.25 | 0.75 |
| Program | 60 0C (5 min) 4 0C/min -> 220 0C 11 0C/min -> 280 0C (15 min) | not specified | 50 0C 95 min) 3 0C/min -> 100 0C 4 0C/min -> 160 0C 5 0C/min -> 220 0C (15 min) | 50C(1min) => 5C/min => 100C => 10C/min => 250C (9min) | 50C(1min) => 5C/min => 100C => 10C/min => 190C => 30C/min => 250C(1min) |
| I | 1265. | 1264. | 1272. | 1270. | 1272. |
| Reference | Custer, 2009 | Custer, 2009 | Yang, Yang, et al., 2009 | Beaulieu and Lancaster, 2007 | Beaulieu J.C. and Lea J.M., 2006 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary |
|---|---|
| Active phase | DB-1 |
| Column length (m) | 60. |
| Carrier gas | He |
| Substrate | |
| Column diameter (mm) | 0.32 |
| Phase thickness (μm) | 0.25 |
| Program | not specified |
| I | 1249. |
| Reference | Nishimura, 1995 |
| Comment | MSDC-RI |
References
Go To: Top, Normal alkane RI, non-polar column, custom temperature program, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Pinheiro, de Queiros, et al., 2013
Pinheiro, P.F.; de Queiros, V.T.; Rondelli, V.M.; Costa, A.V.; MArcelino, T. deP.; Pratissoli, D.,
Insecticidal activity of citronells grass essential oil on Frankliniella schultzei and Myzus persicae,
Cienc. Agrotec. Lavras, 2013, 37, 2, 138-144, https://doi.org/10.1590/S1413-70542013000200004
. [all data]
Albano, Lima, et al., 2012
Albano, S.M.; Lima, A.S.; Miguel, M.G.; Pedro, L.G.; Barroso, J.G.; Figueiredo, A.C.,
Antioxidant, anti-5-lipoxygenase and antiacetylcholinesterase activities of essential oils and decoction water of some aromatic plants,
Rec. Nat. Prod., 2012, 6, 1, 35-48. [all data]
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]
Mondello, 2012
Mondello, L.,
HS-SPME-GCxGC-MS analysis of Yerba Mate (Ilex paraguariensis)
in Shimadzu GC-GC application compendium of comprehensive 2D GC, Vol. 1-5, Shimadzu Corp., 2012, 1-29. [all data]
VOC BinBase, 2012
VOC BinBase,
The volatile compound BinBase (VOC BinBase), 2012, retrieved from http://fiehnlab.ucdavis.edu/projects/VocBinBase and http://binbase.sourceforge.net. [all data]
Miyazaki, Plotto, et al., 2011
Miyazaki, T.; Plotto, A.; Goodner, K.; Gmitter F.G.,
Distribution of aroma volatile compounds in tangerine hybrids and proposed inheritance,
J. Sci. Food Agric., 2011, 91, 3, 449-460, https://doi.org/10.1002/jsfa.4205
. [all data]
Nance and Setzer, 2011
Nance, M.R.; Setzer, W.N.,
Volatile components of aroma hops (Humulus lupulus L.) commonly used in beer brewing,
J. of Brewing and Distilling, 2011, 2, 2, 16-22. [all data]
Payo, Colo, et al., 2011
Payo, D.A.; Colo, J.; Calumpong, H.; de Clerck, O.,
Variability of non-polar secondary metabolites in the Red Alga Portieria,
Mar Drugs, 2011, 9, 11, 2438-2468, https://doi.org/10.3390/md9112438
. [all data]
Skogerson, Wohlgemuth, et al., 2011
Skogerson, K.; Wohlgemuth, G.; Fiehn, O.,
VocBinNase, 2011, retrieved from http://fiehnlab.ucdavis.edu/projects//VocBinBase. [all data]
Wang, Liu, et al., 2011
Wang, C.F.; Liu, P.; Yang, K.; Zeng, Y.; Liu, Z.L.; Du, S.S.; Deng, Z.W.,
Chemical composition and toxicities of essential oil of Illicium fragesil fruits against Sitophilis zeamais,
African J. Biotechnol., 2011, 10, 79, 18179-18184. [all data]
Nezhadali and Parsa, 2010
Nezhadali, A.; Parsa, M.,
Study of the volatile compounds in Artemisia Sagebrush from Iran using HS/SPME/GC/MS,
Int. J. Environ. Sci. Development, 2010, 1, 3, 287-289, https://doi.org/10.7763/IJESD.2010.V1.56
. [all data]
Takeoka, Hobbs, et al., 2010
Takeoka, G.R.; Hobbs, C.; Byeoung-Soo, P.,
Volatile constituents of the aerial parts of Salvia apiana Jepson,
J. Essential Oil. Res., 2010, 22, 3, 241-244, https://doi.org/10.1080/10412905.2010.9700314
. [all data]
Xu, Tang, et al., 2010
Xu, X.; Tang, Z.; Liang, Y.,
Comparative analysis of plant essential oils by GC-MS coupled with integrated chemometric resolution methods,
Anal. Methods, 2010, 2, 4, 359-367, https://doi.org/10.1039/b9ay00213h
. [all data]
Custer, 2009
Custer, Y.,
GC Volatile Components Analysis of Different Parts of Litchi chinensis (Dissertation), 2009. [all data]
Yang, Yang, et al., 2009
Yang, Z.; Yang, W.; Peng, Q.; He, Q.; Feng, Y.; Luo, S.; Yu, Z.,
Volatile phytochemical composition of rhisome of ginger after extraction by headspace solid-phase microextraction, petrol ether extraction and steam distillation extraction,
Bangladesh J. Pharmacol., 2009, 4, 2, 136-143, https://doi.org/10.3329/bjp.v4i2.3232
. [all data]
Beaulieu and Lancaster, 2007
Beaulieu, J.C.; Lancaster, V.A.,
Correlating Volatile Compounds, Sensory Attributes, and Quality Parameters in Stored Fresh-Cut Cantaloupe,
J. Agric. Food Chem., 2007, 55, 23, 9503-9513, https://doi.org/10.1021/jf070282n
. [all data]
Beaulieu J.C. and Lea J.M., 2006
Beaulieu J.C.; Lea J.M.,
Characterization and semiquantitative analysis of volatiles in seedless watermelon varieties using solid-phase microextraction,
J. Agric. Food Chem., 2006, 54, 20, 7789-7793, https://doi.org/10.1021/jf060663l
. [all data]
Nishimura, 1995
Nishimura, O.,
Application of a thermal desorption cold trap injector to multidimensional GC and GC-MS,
J. Hi. Res. Chromatogr., 1995, 18, 11, 699-704, https://doi.org/10.1002/jhrc.1240181105
. [all data]
Notes
Go To: Top, Normal alkane RI, non-polar column, custom temperature program, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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