2,6,9,11-Dodecatetraenal, 2,6,10-trimethyl-, (E,E,E)-
- Formula: C15H22O
- Molecular weight: 218.3346
- 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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Normal alkane 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 | SLB-5 MS | SLB-5 MS | OV-1 | BP-1 | HP-5 |
| Column length (m) | 10. | 10. | 30. | 50. | 30. |
| Carrier gas | Helium | Helium | Helium | He | Helium |
| Substrate | |||||
| Column diameter (mm) | 0.10 | 0.10 | 0.25 | 0.22 | 0.32 |
| Phase thickness (μm) | 0.10 | 0.10 | 0.25 | 0.25 | |
| Tstart (C) | 50. | 50. | 65. | 60. | 70. |
| Tend (C) | 250. | 250. | 260. | 220. | 210. |
| Heat rate (K/min) | 10. | 10. | 6. | 2. | 2. |
| Initial hold (min) | |||||
| Final hold (min) | 20. | 60. | |||
| I | 1748. | 1754. | 1746. | 1726. | 1752. |
| Reference | Scandinaro, Tranchida, et al., 2010 | Scandinaro, Tranchida, et al., 2010 | Wang, Yi, et al., 2008 | Fanciullino, Tomi, et al., 2006 | Mookdasanit, Tamura, et al., 2003 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | BP-1 | DB-5 | DB-1 | OV-101 | OV-101 |
| Column length (m) | 50. | 30. | 60. | 50. | 50. |
| Carrier gas | He | N2 | He | N2 | N2 |
| Substrate | |||||
| Column diameter (mm) | 0.22 | 0.22 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | ||
| Tstart (C) | 60. | 70. | 70. | 80. | 80. |
| Tend (C) | 230. | 230. | 270. | 200. | 200. |
| Heat rate (K/min) | 2. | 4. | 2.5 | 2. | 2. |
| Initial hold (min) | 2. | 5. | |||
| Final hold (min) | 35. | 20. | |||
| I | 1726. | 1748. | 1725. | 1720. | 1720. |
| Reference | Lota, de Rocca Serra, et al., 2001 | Mitiku, Sawamura, et al., 2000 | Tirado, Stashenko, et al., 1995 | Sugisawa, Yamamoto, et al., 1989 | Sugisawa, Yang, et al., 1989 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary |
|---|---|
| Active phase | OV-101 |
| Column length (m) | 50. |
| Carrier gas | N2 |
| Substrate | |
| Column diameter (mm) | 0.25 |
| Phase thickness (μm) | |
| Tstart (C) | 80. |
| Tend (C) | 200. |
| Heat rate (K/min) | 2. |
| Initial hold (min) | |
| Final hold (min) | |
| I | 1721. |
| Reference | Sugisawa, Yang, et al., 1989 |
| Comment | MSDC-RI |
References
Go To: Top, Normal alkane 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.
Scandinaro, Tranchida, et al., 2010
Scandinaro, M.; Tranchida, P.Q.; Costa, R.; Dugo, P.; Mondello, L.,
Rapid Quality Control of Flavours and Fragrances using Fast GC-MS and Multi-MS Library Search Procedures,
LCGC Europe, 2010, 23, 9, 456-464. [all data]
Wang, Yi, et al., 2008
Wang, Y.; Yi, L.; Liang, Y.; Li, H.; Yuan, D.; Gao, H.; Zeng, M.,
Comparative analysis of essential oil components in Pericarpium Citri Reticulatae Viride and Pericarpium Citri Reticulatae by GC-MS combined with chemometric resolution method,
J. Pharmaceutical and Biomedical Anal., 2008, 46, 1, 66-74, https://doi.org/10.1016/j.jpba.2007.08.030
. [all data]
Fanciullino, Tomi, et al., 2006
Fanciullino, A.-L.; Tomi, F.; Luro, F.; Desjobert, J.M.; Casanova, J.,
Chemical variability of peel and leaf oils of mandarins,
Flavour Fragr. J., 2006, 21, 2, 359-367, https://doi.org/10.1002/ffj.1658
. [all data]
Mookdasanit, Tamura, et al., 2003
Mookdasanit, J.; Tamura, H.; Yoshizawa T.; Tokunaga T.; Nakanishi, K.,
Trace Volatile Compounds in Essential Oil of Citrus Sudachi by Means of Modified Solvent Extraction Method,
Food Sci Technol. Res., 2003, 9, 1, 54-61, https://doi.org/10.3136/fstr.9.54
. [all data]
Lota, de Rocca Serra, et al., 2001
Lota, M.-L.; de Rocca Serra, D.; Tomi, F.; Casanova, J.,
Chemical variability of peel and leaf essential oils of 15 species of mandarins,
Biochem. Syst. Ecol., 2001, 29, 1, 77-104, https://doi.org/10.1016/S0305-1978(00)00029-6
. [all data]
Mitiku, Sawamura, et al., 2000
Mitiku, S.B.; Sawamura, M.; Itoh, T.; Ukeda, H.,
Volatile components of peel cold-pressed oils of two cultivars of sweet orange (Citrus sinensis (L.) Osbeck) from Ethiopia,
Flavour Fragr. J., 2000, 15, 4, 240-244, https://doi.org/10.1002/1099-1026(200007/08)15:4<240::AID-FFJ902>3.0.CO;2-F
. [all data]
Tirado, Stashenko, et al., 1995
Tirado, C.B.; Stashenko, E.E.; Combariza, M.Y.; Martinez, J.R.,
Comparative study of Colombian citrus oils by high-resolution gas chromatography and gas chromatography-mass spectrometry,
J. Chromatogr. A, 1995, 697, 1-2, 501-513, https://doi.org/10.1016/0021-9673(94)00955-9
. [all data]
Sugisawa, Yamamoto, et al., 1989
Sugisawa, H.; Yamamoto, M.; Tamura, H.; Takagi, N.,
The comparison of volatile components in peel oil from four species of navel orange,
Nippon Shokuhin Kogio Gakkaishi, 1989, 36, 6, 455-462, https://doi.org/10.3136/nskkk1962.36.6_455
. [all data]
Sugisawa, Yang, et al., 1989
Sugisawa, H.; Yang, R.H.; Kawabata, C.; Tamura, H.,
Volatile constituents in the peel oil of sudachi (Citrus sudachi),
Agric. Biol. Chem., 1989, 53, 6, 1721-1723, https://doi.org/10.1271/bbb1961.53.1721
. [all data]
Notes
Go To: Top, Normal alkane 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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