(3E,5Z)-1,3,5-Undecatriene

Formula: C₁₁H₁₈
Molecular weight: 150.2606
IUPAC Standard InChI: InChI=1S/C11H18/c1-3-5-7-9-11-10-8-6-4-2/h3,5,7,9,11H,1,4,6,8,10H2,2H3/b7-5+,11-9-
IUPAC Standard InChIKey: JQQDKNVOSLONRS-STRRHFTISA-N
CAS Registry Number: 51447-08-6
Chemical structure:
This structure is also available as a 2d Mol file
Stereoisomers:
Other names: 1,3,5-Undecatriene, (E,Z)-; 1,3(E),5(Z)-Undecatriene; 1,(E)3,(Z)5-Undecatriene; 1-(E,Z)-3,5-Undecatriene; (3E,5Z)-Undeca-1,3,5-triene; (E,Z)-1,3,5-Undecatriene; cis,trans-1,3,5-Undecatriene; (3E,5Z)-Undeca-1,3,5-triene (Isomer 2); (E,Z)-undeca-1,3,5-triene
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Other data available:
- Mass spectrum (electron ionization)
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Gas Chromatography

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Kovats' RI, non-polar column, temperature ramp

Column type	Active phase	I	Reference	Comment
Capillary	DB-1	1165.	Takeoka, Flath, et al., 1990	60. m/0.32 mm/0.25 μm, He, 30. C @ 4. min, 2. K/min; T_end: 210. C
Capillary	DB-1	1167.	Takeoka, Flath, et al., 1990	60. m/0.32 mm/0.25 μm, He, 30. C @ 4. min, 2. K/min; T_end: 210. C

Van Den Dool and Kratz RI, non-polar column, custom temperature program

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Column type	Active phase	I	Reference	Comment
Capillary	CP Sil 8 CB	1174.	Steinhaus and Schieberle, 2000	He; Column length: 30. m; Column diameter: 0.32 mm; Program: 35C (2min) => 40C/min => 50C (2min) => 6C/min => 180C => 10C/min => 240C
Capillary	SE-54	1185.	Jagella and Grosch, 1999	30. m/0.32 mm/0.25 μm, He; Program: 35C(2min) => 40C/min => 65C => 6C/min => 250C
Capillary	RTX-5	1183.	Jagella and Grosch, 1999	30. m/0.32 mm/0.25 μm, He; Program: 35C(2min) => 40C/min => 65C => 6C/min => 250C

Van Den Dool and Kratz RI, polar column, custom temperature program

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Column type	Active phase	I	Reference	Comment
Capillary	FFAP	1387.	Steinhaus and Schieberle, 2000	He; Column length: 25. m; Column diameter: 0.32 mm; Program: 35C (2min) => 40C/min => 60C (2min) => 6C/min => 180C => 10C/min => 240C
Capillary	FFAP	1388.	Jagella and Grosch, 1999	30. m/0.32 mm/0.25 μm, He; Program: 40C(1min) => 40C/min => 60C => 6C/min => 230C

Normal alkane RI, non-polar column, temperature ramp

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Column type	Active phase	I	Reference	Comment
Capillary	DB-1-MS	1165.	Takeoka, Hobbs, et al., 2010	60. m/0.25 mm/0.25 μm, Helium, 30. C @ 4. min, 2. K/min, 200. C @ 35. min
Capillary	HP-5MS	1177.	Ghasemi Y., Faridi P., et al., 2005	He, 50. C @ 3. min, 3. K/min, 250. C @ 10. min; Column length: 25. m; Column diameter: 0.25 mm
Capillary	RTX-5	1181.	Tokitomo, Steihaus, et al., 2005	60. m/0.53 mm/1.5 μm, Helium, 6. K/min; T_start: 0. C; T_end: 240. C
Capillary	DB-5	1174.	Priestap, van Baren, et al., 2003	30. m/0.2 mm/0.25 μm, He, 75. C @ 4. min, 3. K/min; T_end: 220. C
Capillary	SPB-5	1173.	Doneanu and Anitescu, 1998	50. m/0.32 mm/0.25 μm, He, 3. K/min, 240. C @ 20. min; T_start: 60. C
Capillary	DB-1	1165.	Takeoka and Butter, 1989	He, 30. C @ 4. min, 2. K/min; Column length: 60. m; Column diameter: 0.32 mm; T_end: 210. C
Capillary	DB-1	1165.	Takeoka and Butter, 1989	He, 30. C @ 4. min, 2. K/min; Column length: 60. m; Column diameter: 0.32 mm; T_end: 210. C

Normal alkane RI, non-polar column, custom temperature program

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	DB-1-MS	1163.	Takeoka, Hobbs, et al., 2010	60. m/0.25 mm/0.25 μm, Helium; Program: not specified
Capillary	DB-5	1173.	Tokitomo, Steihaus, et al., 2005	30. m/0.32 mm/0.25 μm, Helium; Program: 40 0C (2 min) 40 0C/min -> 60 0C (2 min) 6 0C/min -> 180 0C 10 0C/min -> 240 0C (5 min)
Capillary	SE-54	1174.	Schieberle and Steinhaus, 2001	Program: 35C (2min) => 40C/min => 50C (2min) => 6C/min => 180C => 10C/min => 240C
Capillary	HP-1	1160.	Teai, Claude-Lafontaine, et al., 2001	50. m/0.32 mm/0.52 μm, N2; Program: 40C => 2C/min => 130C => 4C/min => 250C

Normal alkane RI, polar column, temperature ramp

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Column type	Active phase	I	Reference	Comment
Capillary	TC-Wax	1387.	Miyazawa, Fujita, et al., 2010	Helium, 40. C @ 3. min, 3. K/min; Column length: 60. m; Column diameter: 0.25 mm; T_end: 230. C
Capillary	TC-Wax	1403.	Miyazawa, Nakanishi, et al., 2009	Helium, 3. K/min; Column length: 60. m; Column diameter: 0.25 mm; T_start: 40. C; T_end: 230. C
Capillary	TC-WAX	1387.	Miyazawa, Tomita, et al., 2009	Helium, 40. C @ 3. min, 3. K/min; Column length: 60. m; Column diameter: 0.25 mm; T_end: 230. C
Capillary	Carbowax 20M	1392.	Priestap, van Baren, et al., 2003	50. m/0.25 mm/0.25 μm, N2, 3. K/min; T_start: 90. C; T_end: 220. C
Capillary	DB-Wax	1382.	Takeoka and Butter, 1989	60. m/0.32 mm/0.25 μm, He, 30. C @ 4. min, 2. K/min; T_end: 180. C
Capillary	DB-Wax	1384.	Takeoka and Butter, 1989	60. m/0.32 mm/0.25 μm, He, 30. C @ 4. min, 2. K/min; T_end: 180. C

Normal alkane RI, polar column, custom temperature program

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	HP Innowax FSP	1402.	Wedge, Klun, et al., 2009	60. m/0.25 mm/0.25 μm, Helium; Program: 60 0C (10 min) 4 0C/min -> 220 0C (10 min) 1 0C/min -> 240 0C (20 min)
Capillary	CP-Wax 58CB	1380.	Tokitomo, Steihaus, et al., 2005	25. m/0.32 mm/0.20 μm, Helium; Program: 40 0C (2 min) 40 0C/min -> 60 0C (1 min) 6 0C/min -> 180 0C 10 0C/min -> 240 0C (5 min)
Capillary	Innowax FSC	1402.	Tunalier, Kirimer, et al., 2002	60. m/0.25 mm/0.25 μm; Program: 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C

References

Go To: Top, Gas Chromatography, Notes

Takeoka, Flath, et al., 1990
Takeoka, G.R.; Flath, R.A.; Mon, T.R.; Teranishi, R.; Guentert, M., Volatile Constituents of Apricot (Prunus armeniaca), J. Agric. Food Chem., 1990, 38, 2, 471-477, https://doi.org/10.1021/jf00092a031 . [all data]

Steinhaus and Schieberle, 2000
Steinhaus, M.; Schieberle, P., Comparison of the most odor-active compounds in fresh and dried hop cones (Humulus lupulus L. variety Spalter Select) based on GC-olfactometry and odor dilution techniques, J. Agric. Food Chem., 2000, 48, 5, 1776-1783, https://doi.org/10.1021/jf990514l . [all data]

Jagella and Grosch, 1999
Jagella, T.; Grosch, W., Flavour and off-flavour compounds of black and white pepper ( Piper nigrum L.) I. Evaluation of potent odorants of black pepper by dilution and concentration techniques, Eur. Food Res. Technol., 1999, 209, 1, 16-21, https://doi.org/10.1007/s002170050449 . [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]

Ghasemi Y., Faridi P., et al., 2005
Ghasemi Y.; Faridi P.; Mehregan I.; Mohagheghzadeh A., Ferula gummosa fruits: An aromatic antimicrobial agent, Chem. Nat. Compd. (Engl. Transl.), 2005, 41, 3, 311-314, https://doi.org/10.1007/s10600-005-0138-3 . [all data]

Tokitomo, Steihaus, et al., 2005
Tokitomo, Y.; Steihaus, M.; Buttner, A.; Schieberle, P., Odor-Active Constituents in Fresh Pineapple (ananas comosus [L.] Merr.) by Quamtitative and Sensory Evaluations, Biosci. Biotechnol, Biochem,, 2005, 69, 7, 1323-1330, https://doi.org/10.1271/bbb.69.1323 . [all data]

Priestap, van Baren, et al., 2003
Priestap, H.A.; van Baren, C.M.; Lira, P.D.L.; Coussio, J.D.; Bandoni, A.L., Volatile constituents of Aristolochia argentina, Phytochemistry, 2003, 63, 2, 221-225, https://doi.org/10.1016/S0031-9422(02)00751-3 . [all data]

Doneanu and Anitescu, 1998
Doneanu, C.; Anitescu, G., Supercritical carbon dioxide extraction of Angelica archangelica L. root oil, J. Supercrit. Fluids, 1998, 12, 1, 59-67, https://doi.org/10.1016/S0896-8446(97)00040-5 . [all data]

Takeoka and Butter, 1989
Takeoka, G.; Butter, R.G., Volatile constituents of pineapple (Ananas Comosus [L.] Merr.) in Flavor Chemistry. Trends and Developments, Teranishi,R.; Buttery,R.G.; Shahidi,F., ed(s)., American Chemical Society, Washington, DC, 1989, 223-237. [all data]

Schieberle and Steinhaus, 2001
Schieberle, P.; Steinhaus, M., Characterization of the odor-active constituents in fresh and processed hops (variety Spalter select), Am. Chem. Soc. Symp. Ser., 2001, 782, 23-32. [all data]

Teai, Claude-Lafontaine, et al., 2001
Teai, T.; Claude-Lafontaine, A.; Schippa, C.; Cozzolino, F., Volatile compounds in fresh pulp of pineapple (Ananas comosus [L.] Merr.) from French Polynesia, J. Essent. Oil Res., 2001, 13, 5, 314-318, https://doi.org/10.1080/10412905.2001.9712222 . [all data]

Miyazawa, Fujita, et al., 2010
Miyazawa, N.; Fujita, A.; Kubota, K., Aroma character impact compounds in Kinokuni Mandarin Orange (Citrus kinikuni) compared with Satsuma Mandarin Orange, Biosci. Biotechnol. Biochem., 2010, 74, 4, 835-842, https://doi.org/10.1271/bbb.90937 . [all data]

Miyazawa, Nakanishi, et al., 2009
Miyazawa, N.; Nakanishi, A.; Tomita, N.; Ohkubo, Y.; Maeda, T.; Fujita, A., Novel key aroma components of Galbanum oil, J. Agric. Food Chem., 2009, 57, 4, 1433-1439, https://doi.org/10.1021/jf803157j . [all data]

Miyazawa, Tomita, et al., 2009
Miyazawa, N.; Tomita, N.; Kurobayashi, Y.; Nakanishi, A.; Ohkubo, Y.; Maeda, T.; Fujita, A., Novel character impact compounds in Yuzu (Citrus junos Sieb. ex Tanaka) Peel oil, J. Agric. Food Chem., 2009, 57, 5, 1990-1996, https://doi.org/10.1021/jf803257x . [all data]

Wedge, Klun, et al., 2009
Wedge, D.E.; Klun, J.A.; Tabanca, N.; Demirci, B.; Ozek, T.; Baser, K.H.C.; Liu, Z.; Zhang, S.; Cantrell, C.L.; Zhang, J., Bioactivity-guided fractionation and GC/MS fingerprinting of Amgelica sinensis and Angelica archangelica root components for antifungal and mosquito deterrent activity, J. Agric. Food Chem., 2009, 57, 2, 464-470, https://doi.org/10.1021/jf802820d . [all data]

Tunalier, Kirimer, et al., 2002
Tunalier, Z.; Kirimer, N.; Baser, K.H.C., The composition of essential oils from various parts of Juniperus foetidissima, Chem. Nat. Compd. (Engl. Transl.), 2002, 38, 1, 43-47, https://doi.org/10.1023/A:1015725630556 . [all data]

Notes

Go To: Top, Gas Chromatography, References

Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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