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
The 3d structure may be viewed using Java or Javascript. - 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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- Other data available:
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Van Den Dool and Kratz 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 | MDN-5 | ZB-5 | DB-5 | SPB-1 | DB-5 |
| Column length (m) | 30. | 0. | 30. | 30. | 30. |
| Carrier gas | He | He | He | ||
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.32 | 0.25 | 0.25 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.5 | 0.25 | 0.25 | 0.5 |
| Tstart (C) | 50. | 40. | 60. | 35. | 40. |
| Tend (C) | 250. | 265. | 275. | 225. | 265. |
| Heat rate (K/min) | 3. | 7. | 4. | 4. | 7. |
| Initial hold (min) | 5. | ||||
| Final hold (min) | 5. | 20. | 5. | ||
| I | 1745. | 1752. | 1758. | 1731. | 1757. |
| Reference | Dugo, Mondello, et al., 2005 | Gocmen, Gurbuz, et al., 2004 | Ramezani, Khaje-Karamoddin, et al., 2004 | Chisholm, Jell, et al., 2003 | Högnadóttir and Rouseff, 2003 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | HP-5 | HP-5MS | HP-5 | BP-1 | BP-1 |
| Column length (m) | 30. | 30. | 30. | 50. | 50. |
| Carrier gas | He | He | He | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.20 | 0.22 | 0.22 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 60. | 60. | 60. | 60. | 60. |
| Tend (C) | 380. | 280. | 180. | 230. | 230. |
| Heat rate (K/min) | 3. | 4. | 4. | 2. | 2. |
| Initial hold (min) | 5. | 8. | |||
| Final hold (min) | 2. | 35. | 35. | ||
| I | 1750. | 1752. | 1752. | 1726. | 1726. |
| Reference | Couladis, Tsortanidou, et al., 2001 | Skaltsa, Mavrommati, et al., 2001 | Alonzo, Bosco, et al., 2000 | Lota, de Rocca Serra, et al., 2000 | Lota, de Rocca Serra, et al., 2000 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary |
|---|---|---|
| Active phase | HP-5 | Mega 5MS |
| Column length (m) | 30. | 30. |
| Carrier gas | He | He |
| Substrate | ||
| Column diameter (mm) | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 |
| Tstart (C) | 70. | 40. |
| Tend (C) | 230. | 240. |
| Heat rate (K/min) | 2. | 3. |
| Initial hold (min) | 2. | |
| Final hold (min) | ||
| I | 1753. | 1741. |
| Reference | Song, Sawamura, et al., 2000 | Verzera, Trozzi, et al., 2000 |
| Comment | MSDC-RI | MSDC-RI |
References
Go To: Top, Van Den Dool and Kratz 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.
Dugo, Mondello, et al., 2005
Dugo, P.; Mondello, L.; Favoino, O.; Cicero, L.; Rodriguez Zenteno, N.A.; Dugo, G.,
Characterization of cold-pressed Mexican dancy tangerine oils,
Flavour Fragr. J., 2005, 20, 1, 60-66, https://doi.org/10.1002/ffj.1367
. [all data]
Gocmen, Gurbuz, et al., 2004
Gocmen, D.; Gurbuz, O.; Rouseff, R.L.; Smoot, J.M.; Dagdelen, A.F.,
Gas chromatographic-olfactometric characterization of aroma active compounds in sun-dried and vacuum-dried tarhana,
Eur. Food Res. Technol., 2004, 218, 6, 573-578, https://doi.org/10.1007/s00217-004-0913-6
. [all data]
Ramezani, Khaje-Karamoddin, et al., 2004
Ramezani, M.; Khaje-Karamoddin, M.; Karimi-Fard, V.,
Chemical composition and anti-Helicobacter pylori activity of the essential oil of Pistacia vera,
Pharm. Biol., 2004, 42, 7, 488-490, https://doi.org/10.3109/13880200490891755
. [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]
Högnadóttir and Rouseff, 2003
Högnadóttir, Á.; Rouseff, R.L.,
Identification of aroma active compounds in organce essence oil using gas chromatography-olfactometry and gas chromatography-mass spectrometry,
J. Chromatogr. A, 2003, 998, 1-2, 201-211, https://doi.org/10.1016/S0021-9673(03)00524-7
. [all data]
Couladis, Tsortanidou, et al., 2001
Couladis, M.; Tsortanidou, V.; Francisco-Ortega, J.; Santos-Guerra, A.; Harvala, C.,
Composition of the essential oils of Argyranthemum species growing in the Canary Islands,
Flavour Fragr. J., 2001, 16, 2, 103-106, https://doi.org/10.1002/ffj.954
. [all data]
Skaltsa, Mavrommati, et al., 2001
Skaltsa, H.D.; Mavrommati, A.; Constantinidis, T.,
A chemotaxonomic investigation of volatile constituents in Stachys subsect. Swainsonianeae (Labiatae),
Phytochemistry, 2001, 57, 2, 235-244, https://doi.org/10.1016/S0031-9422(01)00003-6
. [all data]
Alonzo, Bosco, et al., 2000
Alonzo, G.; Bosco, S.F.D.; Palazzolo, E.; Saiano, F.; Tusa, N.,
Citrus somatic hybrid leaf essential oil,
Flavour Fragr. J., 2000, 15, 4, 258-262, https://doi.org/10.1002/1099-1026(200007/08)15:4<258::AID-FFJ906>3.0.CO;2-F
. [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]
Song, Sawamura, et al., 2000
Song, H.S.; Sawamura, M.; Ito, T.; Kawashimo, K.; Ukeda, H.,
Quantitative determination of characteric flavour of Citrus junos (yuzu) peel oil,
Flavour Fragr. J., 2000, 15, 4, 245-250, https://doi.org/10.1002/1099-1026(200007/08)15:4<245::AID-FFJ904>3.0.CO;2-V
. [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, 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
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