2,6,9,11-Dodecatetraenal, 2,6,10-trimethyl-, (E,E,E)-
- Formula: C15H22O
- Molecular weight: 218.3346
- IUPAC Standard InChI: InChI=1S/C15H22O/c1-5-13(2)8-6-9-14(3)10-7-11-15(4)12-16/h5,8-9,11-12H,1,6-7,10H2,2-4H3/b13-8+,14-9+,15-11+
- IUPAC Standard InChIKey: PFSTYGCNVAVZBK-JQGMZEBDSA-N
- CAS Registry Number: 17909-77-2
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
View 3d structure (requires JavaScript / HTML 5) - Stereoisomers:
- Other names: α-Sinensal; (2E,6E,9E)-2,6,10-Trimethyldodeca-2,6,9,11-tetraenal; (2E,6E,9E)-2,6,10-Trimethyl-2,6,9,11-dodecatetraenal; (E,E,E)-2,6,10-trimethyldodeca-2,6,9,11-tetraen-1-al
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Van Den Dool and Kratz RI, 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-Wax | DB-Wax | DB-Wax | Innowax | DB-Wax |
| Column length (m) | 30. | 60. | 30. | 15. | 60. |
| Carrier gas | He | N2 | He | He | H2 |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 40. | 70. | 40. | 35. | 40. |
| Tend (C) | 250. | 230. | 250. | 225. | 245. |
| Heat rate (K/min) | 3. | 2. | 3. | 4. | 1.5 |
| Initial hold (min) | 2. | 5. | |||
| Final hold (min) | 20. | 20. | 20. | 20. | 20. |
| I | 2268. | 2304. | 2261. | 2350. | 2268. |
| Reference | Gancel, Ollitrault, et al., 2005 | Njoroge, Koaze, et al., 2005 | Brat, Rega, et al., 2003 | Chisholm, Jell, et al., 2003 | Gancel, Ollitrault, et al., 2003 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary |
|---|---|---|---|
| Active phase | BP-20 | BP-20 | Megawax |
| Column length (m) | 50. | 50. | 30. |
| Carrier gas | He | He | He |
| Substrate | |||
| Column diameter (mm) | 0.22 | 0.22 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 60. | 60. | 40. |
| Tend (C) | 230. | 230. | 220. |
| Heat rate (K/min) | 2. | 2. | 2. |
| Initial hold (min) | 6. | ||
| Final hold (min) | 35. | 35. | 10. |
| I | 2323. | 2323. | 2287. |
| Reference | Lota, de Rocca Serra, et al., 2000 | Lota, de Rocca Serra, et al., 2000 | Verzera, Trozzi, et al., 2000 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Van Den Dool and Kratz RI, 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.
Gancel, Ollitrault, et al., 2005
Gancel, A.-L.; Ollitrault, P.; Froelicher, Y.; Tomi, F.; Jacquemond, C.; Luro, F.; Brillouet, J.-M.,
Leaf volatile compounds of six citrus somatic allotetraploid hybrids originating from various combinations of lime, lemon, citron, sweet orange, and grapefruit,
J. Agric. Food Chem., 2005, 53, 6, 2224-2230, https://doi.org/10.1021/jf048315b
. [all data]
Njoroge, Koaze, et al., 2005
Njoroge, S.M.; Koaze, H.; Karanja, P.N.; Sawamura, M.,
Volatile Constituents of Redblush Grapefruit ( Citrus paradisi) and Pummelo ( Citrus grandis) Peel Essential Oils from Kenya,
J. Agric. Food Chem., 2005, 53, 25, 9790-9794, https://doi.org/10.1021/jf051373s
. [all data]
Brat, Rega, et al., 2003
Brat, P.; Rega, B.; Alter, P.; Reynes, M.; Brillouet, J.-M.,
Distribution of volatile compounds in the pulp, cloud, and serum of freshly squeezed orange juice,
J. Agric. Food Chem., 2003, 51, 11, 3442-3447, https://doi.org/10.1021/jf026226y
. [all data]
Chisholm, Jell, et al., 2003
Chisholm, M.G.; Jell, J.A.; Cass, D.M., Jr.,
Characterization of the major odorants found in the peel oil of Citrus reticulata Blanco cv. Clementine using gas chromatography-olfactometry,
Flavour Fragr. J., 2003, 18, 4, 275-281, https://doi.org/10.1002/ffj.1188
. [all data]
Gancel, Ollitrault, et al., 2003
Gancel, A.-L.; Ollitrault, P.; Froelicher, Y.; Tomi, F.; Jacquemond, C.; Luro, F.; Brillouet, J.-M.,
Leaf volatile compounds of seven citrus somatic tetraploid hybrids sharing willow leaf mandarin (Citrus deliciosa Ten.) as their common parent,
J. Agric. Food Chem., 2003, 51, 20, 6006-6013, https://doi.org/10.1021/jf0345090
. [all data]
Lota, de Rocca Serra, et al., 2000
Lota, M.-L.; de Rocca Serra, D.; Tomi, F.; Casanova, J.,
Chemical variability of peel and leaf essential oils of mandarins from Citrus reticulata Blanco,
Biochem. Syst. Ecol., 2000, 28, 1, 61-78, https://doi.org/10.1016/S0305-1978(99)00036-8
. [all data]
Verzera, Trozzi, et al., 2000
Verzera, A.; Trozzi, A.; Cotroneo, A.; Lorenzo, D.; Dellacassa, E.,
Uruguayan essential oil. 12. Composition of Nova and Satsuma mandarin oils,
J. Agric. Food Chem., 2000, 48, 7, 2903-2909, https://doi.org/10.1021/jf990734z
. [all data]
Notes
Go To: Top, Van Den Dool and Kratz RI, 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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