2,6,11-Dodecatrienal, 2,6-dimethyl-10-methylene-
- 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/h5,9,11-12H,1-2,6-8,10H2,3-4H3/b14-9+,15-11+
- IUPAC Standard InChIKey: NOPLRNXKHZRXHT-YFVJMOTDSA-N
- CAS Registry Number: 60066-88-8
- 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. - Other names: 2,6-Dimethyl-10-methylene-2,6,11-dodecatrienal; 2,6-Dimethyl-10-methylenedodeca-2,6,11-trienal; β-Sinensal; 2,6-dimethyl-10-methylenedodeca-2,6,11-trien-1-al
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
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Gas Chromatography
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
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | ZB-5 | 1693. | Ruiz Perez-Cacho, Mahattanatawee, et al., 2007 | 30. m/0.32 mm/0.5 μm, He, 7. K/min, 265. C @ 5. min; Tstart: 40. C |
| Capillary | DB-1 | 1664. | Gancel, Ollitrault, et al., 2005 | 30. m/0.25 mm/0.25 μm, He, 3. K/min, 250. C @ 20. min; Tstart: 40. C |
| Capillary | ZB-5 | 1677. | Bell, 2004 | 30. m/0.32 mm/0.50 μm, Helium, 7. K/min, 265. C @ 5. min; Tstart: 40. C |
| Capillary | ZB-5 | 1707. | Gocmen, Gurbuz, et al., 2004 | 0. m/0.32 mm/0.5 μm, 7. K/min, 265. C @ 5. min; Tstart: 40. C |
| Capillary | SPB-1 | 1661. | Chisholm, Jell, et al., 2003 | 30. m/0.25 mm/0.25 μm, He, 35. C @ 5. min, 4. K/min, 225. C @ 20. min |
| Capillary | SPB-1 | 1671. | Chisholm, Jell, et al., 2003 | 30. m/0.25 mm/0.25 μm, He, 35. C @ 5. min, 4. K/min, 225. C @ 20. min |
| Capillary | DB-1 | 1664. | Gancel, Ollitrault, et al., 2003 | 30. m/0.25 mm/0.25 μm, He, 3. K/min, 250. C @ 20. min; Tstart: 40. C |
| Capillary | DB-5 | 1706. | Högnadóttir and Rouseff, 2003 | 30. m/0.32 mm/0.5 μm, 7. K/min, 265. C @ 5. min; Tstart: 40. C |
| Capillary | DB-5 | 1700. | Högnadóttir and Rouseff, 2003 | 30. m/0.32 mm/0.5 μm, 7. K/min, 265. C @ 5. min; Tstart: 40. C |
| Capillary | BP-1 | 1673. | Lota, de Rocca Serra, et al., 2002 | 50. m/0.22 mm/0.25 μm, He, 2. K/min, 220. C @ 20. min; Tstart: 60. C |
| Capillary | DB-1 | 1668. | Lin and Rouseff, 2001 | 30. m/0.32 mm/0.25 μm, 7. K/min, 240. C @ 5. min; Tstart: 40. C |
| Capillary | HP-5 | 1695. | Alonzo, Bosco, et al., 2000 | 30. m/0.20 mm/0.25 μm, He, 60. C @ 8. min, 4. K/min, 180. C @ 2. min |
| Capillary | BP-1 | 1673. | Lota, de Rocca Serra, et al., 2000 | 50. m/0.22 mm/0.25 μm, He, 2. K/min, 230. C @ 35. min; Tstart: 60. C |
| Capillary | BP-1 | 1673. | Lota, de Rocca Serra, et al., 2000 | 50. m/0.22 mm/0.25 μm, He, 2. K/min, 230. C @ 35. min; Tstart: 60. C |
| Capillary | Mega 5MS | 1685. | Verzera, Trozzi, et al., 2000 | 30. m/0.25 mm/0.25 μm, He, 40. C @ 2. min, 3. K/min; Tend: 240. C |
| Capillary | OV-101 | 1671. | Yang, Sugisawa, et al., 1992 | N2, 2. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tstart: 80. C; Tend: 200. C |
| Capillary | OV-101 | 1672. | Yang, Sugisawa, et al., 1992 | N2, 2. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tstart: 80. C; Tend: 200. C |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5MS | 1702.5 | Andriamaharavo, 2014 | 30. m/0.25 mm/0.25 μm, He; Program: 60C (1 min) => 5 C/min => 210C => 10 C/min => 280C (15 min) |
| Capillary | ZB-5 | 1706. | Bell, 2004 | 30. m/0.32 mm/0.50 μm, Helium; Program: not specified |
Van Den Dool and Kratz RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-Wax | 2250. | Ruiz Perez-Cacho, Mahattanatawee, et al., 2007 | 30. m/0.32 mm/0.5 μm, He, 7. K/min, 240. C @ 5. min; Tstart: 40. C |
| Capillary | DB-Wax | 2238. | Choi, 2005 | 60. m/0.25 mm/0.25 μm, N2, 70. C @ 2. min, 2. K/min, 230. C @ 20. min |
| Capillary | DB-Wax | 2200. | Gancel, Ollitrault, et al., 2005 | 30. m/0.25 mm/0.25 μm, He, 3. K/min, 250. C @ 20. min; Tstart: 40. C |
| Capillary | DB-Wax | 2249. | Njoroge, Koaze, et al., 2005 | 60. m/0.25 mm/0.25 μm, N2, 70. C @ 2. min, 2. K/min, 230. C @ 20. min |
| Capillary | DB-Wax | 2254. | Bell, 2004 | 30. m/0.32 mm/0.50 μm, Helium, 7. K/min, 240. C @ 5. min; Tstart: 40. C |
| Capillary | Innowax | 2242. | Chisholm, Jell, et al., 2003 | 15. m/0.25 mm/0.25 μm, He, 35. C @ 5. min, 4. K/min, 225. C @ 20. min |
| Capillary | DB-Wax | 2200. | Gancel, Ollitrault, et al., 2003 | 60. m/0.32 mm/0.25 μm, H2, 1.5 K/min, 245. C @ 20. min; Tstart: 40. C |
| Capillary | DB-Wax | 2249. | Högnadóttir and Rouseff, 2003 | 30. m/0.32 mm/0.5 μm, 7. K/min, 240. C @ 5. min; Tstart: 40. C |
| Capillary | BP-20 | 2225. | Lota, de Rocca Serra, et al., 2002 | 50. m/0.22 mm/0.25 μm, He, 2. K/min, 220. C @ 20. min; Tstart: 60. C |
| Capillary | DB-Wax | 2244. | Lin and Rouseff, 2001 | 30. m/0.32 mm/0.50 μm, He, 7. K/min, 240. C @ 5. min; Tstart: 40. C |
| Capillary | DB-Wax | 2239. | Choi and Sawamura, 2000 | 60. m/0.25 mm/0.25 μm, N2, 70. C @ 2. min, 2. K/min, 230. C @ 20. min |
| Capillary | BP-20 | 2225. | Lota, de Rocca Serra, et al., 2000 | 50. m/0.22 mm/0.25 μm, He, 2. K/min, 230. C @ 35. min; Tstart: 60. C |
| Capillary | BP-20 | 2225. | Lota, de Rocca Serra, et al., 2000 | 50. m/0.22 mm/0.25 μm, He, 2. K/min, 230. C @ 35. min; Tstart: 60. C |
| Capillary | Megawax | 2189. | Verzera, Trozzi, et al., 2000 | 30. m/0.25 mm/0.25 μm, He, 40. C @ 6. min, 2. K/min, 220. C @ 10. min |
Van Den Dool and Kratz RI, polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-Wax | 2251. | Elston, Lin, et al., 2005 | Program: not specified |
| Capillary | DB-Wax | 2251. | Bell, 2004 | 30. m/0.32 mm/0.50 μm, Helium; Program: not specified |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-5 MS | 1694. | Noudogbessi, Yedomonhan, et al., 2008 | 30. m/0.25 mm/0.25 μm, Helium, 50. C @ 5. min, 5. K/min, 300. C @ 5. min |
| Capillary | BP-1 | 1675. | Fanciullino, Tomi, et al., 2006 | 50. m/0.22 mm/0.25 μm, He, 2. K/min, 220. C @ 20. min; Tstart: 60. C |
| Capillary | DB-5MS | 1659. | Maronigiu, Piras, et al., 2006 | 30. m/0.25 mm/0.25 μm, He, 3. K/min, 280. C @ 30. min; Tstart: 60. C |
| Capillary | HP-5MS | 1695. | Ghasemi, Asghari, et al., 2003 | 30. m/0.25 mm/0.25 μm, He, 4. K/min; Tstart: 60. C; Tend: 280. C |
| Capillary | HP-5 | 1695. | Stashenko, Jaramillo, et al., 2003 | 60. m/0.25 mm/0.25 μm, 40. C @ 15. min, 5. K/min; Tend: 250. C |
| Capillary | DB-1 | 1658. | Gancel, Ollé, et al., 2002 | 30. m/0.32 mm/0.25 μm, H2, 40. C @ 20. min, 3. K/min; Tend: 245. C |
| Capillary | BP-1 | 1673. | Lota, de Rocca Serra, et al., 2001 | 50. m/0.22 mm/0.25 μm, He, 2. K/min, 230. C @ 35. min; Tstart: 60. C |
| Capillary | OV-101 | 1672. | Yang, 2001 | N2, 2. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tstart: 80. C; Tend: 200. C |
| Capillary | DB-5 | 1691. | Mitiku, Sawamura, et al., 2000 | 30. m/0.22 mm/0.25 μm, N2, 70. C @ 2. min, 4. K/min, 230. C @ 20. min |
| Capillary | HP-5 | 1669. | Poiana, Sicari, et al., 1998 | 25. m/0.2 mm/0.33 μm, He, 70. C @ 8. min, 3. K/min, 290. C @ 20. min |
| Capillary | OV-101 | 1671. | Tamura, Yang, et al., 1993 | 2. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tstart: 80. C; Tend: 200. C |
| Capillary | OV-101 | 1672. | Tamura, Yang, et al., 1993 | 2. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tstart: 80. C; Tend: 200. C |
| Capillary | OV-101 | 1671. | Yang and Sugisawa, 1990 | N2, 2. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tstart: 80. C; Tend: 200. C |
| Capillary | OV-101 | 1671. | Yang and Sugisawa, 1990 | N2, 2. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tstart: 80. C; Tend: 200. C |
| Capillary | OV-101 | 1671. | Sugisawa, Yamamoto, et al., 1989 | N2, 2. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tstart: 80. C; Tend: 200. C |
| Capillary | OV-101 | 1671. | Sugisawa, Yang, et al., 1989 | N2, 2. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tstart: 80. C; Tend: 200. C |
| Capillary | OV-101 | 1671. | Sugisawa, Yang, et al., 1989 | N2, 2. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tstart: 80. C; Tend: 200. C |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5MS | 1697. | Takaku, Haber, et al., 2007 | He; Column length: 30. m; Column diameter: 0.25 mm; Program: 40C(10min) => 3C/min => 200C => 2C/min => 220C |
| Capillary | SE-54 | 1700. | Buettner, Mestres, et al., 2003 | 30. m/0.32 mm/0.25 μm; Program: 35C (2min) => 40C/min => 50C (2min) => 6C/min => 180C => 10C/min => 230C (10min) |
Normal alkane RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | BP-20 | 2228. | Fanciullino, Tomi, et al., 2006 | 50. m/0.22 mm/0.25 μm, He, 2. K/min, 220. C @ 20. min; Tstart: 60. C |
| Capillary | DB-Wax | 2249. | Njoroge, Koaze, et al., 2005, 2 | 60. m/0.25 mm/0.25 μm, N2, 70. C @ 2. min, 2. K/min, 230. C @ 20. min |
| Capillary | DB-Wax | 2249. | Njoroge, Koaze, et al., 2005, 3 | 60. m/0.25 mm/0.25 μm, N2, 70. C @ 2. min, 2. K/min, 230. C @ 20. min |
| Capillary | DB-Wax | 2238. | Choi, 2004 | 60. m/0.25 mm/0.25 μm, N2, 70. C @ 2. min, 2. K/min, 230. C @ 20. min |
| Capillary | DB-Wax | 2203. | Gancel, Ollé, et al., 2002 | 60. m/0.32 mm/0.25 μm, H2, 1.5 K/min, 245. C @ 20. min; Tstart: 40. C |
| Capillary | DB-Wax | 2237. | Tu, Thanh, et al., 2002 | 60. m/0.25 mm/0.25 μm, N2, 2. K/min; Tstart: 70. C; Tend: 230. C |
| Capillary | BP-20 | 2225. | Lota, de Rocca Serra, et al., 2001 | 50. m/0.22 mm/0.25 μm, He, 2. K/min, 230. C @ 35. min; Tstart: 60. C |
Normal alkane RI, polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Innowax FSC | 2237. | Tosun, Kürkcüoglu, et al., 2006 | 60. m/0.25 mm/0.25 μm, He; Program: 60C(10min) => 4C/min => 220C (10min) => 1C/min => 240C |
| Capillary | DB-Wax | 2200. | Berlinet, Ducruet, et al., 2005 | 30. m/0.25 mm/0.25 μm, He; Program: not specified |
| Capillary | FFAP | 2209. | Buettner, Mestres, et al., 2003 | 30. m/0.32 mm/0.25 μm; Program: 35C (2min) => 40C/min => 60C (2min) => 6C/min => 180C => 10C/min => 230C (10min |
References
Go To: Top, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Ruiz Perez-Cacho, Mahattanatawee, et al., 2007
Ruiz Perez-Cacho, P.; Mahattanatawee, K.; Smoot, J.M.; Rouseff, R.,
Identification of Sulfur Volatiles in Canned Orange Juices Lacking Orange Flavor,
J. Agric. Food Chem., 2007, 55, 14, 5761-5767, https://doi.org/10.1021/jf0703856
. [all data]
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]
Bell, 2004
Bell, W.A.-M.,
Examination of Aroma Volatiles Formed from Thermal Processing of Florida Reconstituted Grapefruit Juice. A Thesis presented to the graduate school of the university of Florida in partial fulfillment of the requirements for the degree of master of science, 2004. [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,
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Chisholm, Jell, et al., 2003
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Characterization of the major odorants found in the peel oil of Citrus reticulata Blanco cv. Clementine using gas chromatography-olfactometry,
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Leaf volatile compounds of seven citrus somatic tetraploid hybrids sharing willow leaf mandarin (Citrus deliciosa Ten.) as their common parent,
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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,
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Lota, de Rocca Serra, et al., 2002
Lota, M.-L.; de Rocca Serra, D.; Tomi, F.; Jacquemond, C.; Casanova, J.,
Volatile components of peel and leaf oils of lemon and lime species,
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Lin and Rouseff, 2001
Lin, J.; Rouseff, R.L.,
Characterization of aroma-impact compounds in cold-pressed grapefruit oil using time-intensity GC-olfactometry and GC-MS,
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Alonzo, Bosco, et al., 2000
Alonzo, G.; Bosco, S.F.D.; Palazzolo, E.; Saiano, F.; Tusa, N.,
Citrus somatic hybrid leaf essential oil,
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Lota, de Rocca Serra, et al., 2000
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Chemical variability of peel and leaf essential oils of mandarins from Citrus reticulata Blanco,
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Comparison of odor quality in peel oils of acid citrus,
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Andriamaharavo, 2014
Andriamaharavo, N.R.,
Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2014. [all data]
Choi, 2005
Choi, H.-S.,
Characteristic odor components of kumquat (Fortunella japonica Swingle) peel oil,
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Elston, A.; Lin, J.; Rouseff, R.,
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Noudogbessi, Yedomonhan, et al., 2008
Noudogbessi, J.-P.; Yedomonhan, P.; Sohounhloue, D.C.K.; Chalchat, J.-C.; Figueredo, G.,
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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,
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Stashenko, E.E.; Jaramillo, B.E.; Martínez, J.R.,
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Gancel, Ollé, et al., 2002
Gancel, A.-L.; Ollé, D.; Ollitrault, P.; Luro, F.; Brillouet, J.-M.,
Leaf and peel volatile compounds of an interspecific citrus somatic hybrid [Citrus aurantifolia (Christm.) Swing. + Citrus paradisi Macfayden],
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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,
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Yang, 2001
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Volatile compounds in peel oil of Citrus sudachi,
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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,
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Poiana, Sicari, et al., 1998
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. [all data]
Tamura, Yang, et al., 1993
Tamura, H.; Yang, R.-H.; Sugisawa, H.,
Aroma profiles of peel oils of acid citrus,
ACS Sym. Ser., 1993, 525, 121-136. [all data]
Yang and Sugisawa, 1990
Yang, R.; Sugisawa, H.,
Citrus Suachi Hort. ex Shirai. Volatile components in Sudachi (Citrus Sudachi Hort. ex Shirai) juice,
Nippon Shokuhin Kogyo Gakkaishi, 1990, 37, 12, 946-952, https://doi.org/10.3136/nskkk1962.37.12_946
. [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),
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. [all data]
Takaku, Haber, et al., 2007
Takaku, S.; Haber, W.A.; Setzer, W.N.,
Leaf essential oil composition of 10 species of Ocotea (Lauraceae) from Monteverde, Costa Rica,
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. [all data]
Buettner, Mestres, et al., 2003
Buettner, A.; Mestres, M.; Fischer, A.; Guasch, J.; Schieberle, P.,
Evaluation of the most odour-active compounds in the peel oil of clementines ( citrus reticulata blanco cv. clementine),
Eur. Food Res. Technol., 2003, 216, 11-14. [all data]
Njoroge, Koaze, et al., 2005, 2
Njoroge, S.M.; Koaze, H.; Mwaniki, M.; Minh Tu, N.T.; Sawamura, M.,
Essential oils of Kenyan Citrus fruits: volatile components of two varieties of mandarins (Citrus reticulata) and a tangelo (C. paradisi × C. tangerina),
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. [all data]
Njoroge, Koaze, et al., 2005, 3
Njoroge, S.M.; Koaze, H.; Karanja, P.N.; Sawamura, M.,
Essential oil constituents of three varieties of Kenyan sweet oranges (Citrus sinensis),
Flavour Fragr. J., 2005, 20, 1, 80-85, https://doi.org/10.1002/ffj.1377
. [all data]
Choi, 2004
Choi, H.-S.,
Aroma evaluation of an aquatic herb, changpo (Acorus calamus Var. angustatus Bess), by AEDA and SPME,
J. Agric. Food Chem., 2004, 52, 26, 8099-8104, https://doi.org/10.1021/jf040239p
. [all data]
Tu, Thanh, et al., 2002
Tu, N.T.M.; Thanh, L.X.; Une, A.; Ukeda, H.; Sawamura, M.,
Volatile constituents of Vietnamese pummelo, orange, tangerine and lime peel oils,
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. [all data]
Tosun, Kürkcüoglu, et al., 2006
Tosun, A.; Kürkcüoglu, M.; Dogan, E.; Duman, H.; Baser, K.H.C.,
Essential oil composition of Seseli petraeum M. Bieb. and Seseli andronakii Woron. growing in Turkey,
Flavour Fragr. J., 2006, 21, 2, 257-259, https://doi.org/10.1002/ffj.1572
. [all data]
Berlinet, Ducruet, et al., 2005
Berlinet, C.; Ducruet, V.; Brillouet, J.-M.; Reynes, M.; Brat, P.,
Evolution of aroma compounds from orange juice stored in polyethylene terephthalate (PET),
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. [all data]
Notes
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