Butanoic acid, 3,7-dimethyl-2,6-octadienyl ester, (E)-


Gas Chromatography

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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

Kovats' RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryHP-5MS1565.Jalali-Heravi, Zekavat, et al., 200660. m/0.25 mm/0.25 μm, He, 40. C @ 1. min, 3. K/min, 250. C @ 20. min
CapillaryBP-11531.Rajeswara Rao, Kaul, et al., 200530. m/0.32 mm/0.25 μm, 5. K/min, 245. C @ 10. min; Tstart: 60. C
CapillaryBP-11531.Rao, Kaul, et al., 200530. m/0.32 mm/0.25 μm, 5. K/min, 245. C @ 10. min; Tstart: 60. C
CapillaryBP-11531.Raina, Srivastava, et al., 200225. m/0.55 mm/0.25 μm, N2, 5. K/min, 220. C @ 15. min; Tstart: 60. C
CapillaryCross-Linked Methylsilicone1534.Rajeswara Rao, Kaul, et al., 200250. m/0.2 mm/0.25 μm, He, 4. K/min; Tstart: 100. C; Tend: 280. C
CapillaryBP-11534.Rajeswara Rao, 200225. m/0.5 mm/0.25 μm, N2, 5. K/min, 220. C @ 10. min; Tstart: 60. C
CapillaryBP-11534.Rao B.R.R., 200225. m/0.5 mm/0.25 μm, 5. K/min, 220. C @ 10. min; Tstart: 60. C
CapillaryBP-11532.Jain, Aggarwal, et al., 200125. m/0.55 mm/0.25 μm, N2, 5. K/min, 220. C @ 15. min; Tstart: 60. C
CapillaryHP-11529.Rajeswara Rao, 200125. m/0.2 mm/0.25 μm, He, 4. K/min; Tstart: 100. C; Tend: 220. C
CapillaryDB-51562.Adams, 200030. m/0.26 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 240. C
CapillaryBP-11534.Rao, Kaul, et al., 2000N2, 5. K/min, 220. C @ 10. min; Column length: 25. m; Column diameter: 0.5 mm; Tstart: 60. C
CapillaryBP-11534.Rao, Sastry, et al., 200025. m/0.50 mm/0.25 μm, N2, 5. K/min, 220. C @ 10. min; Tstart: 60. C
CapillaryBP-11534.Kulkarni, Mallavarapu, et al., 1998N2, 5. K/min; Column length: 25. m; Column diameter: 0.25 mm; Tstart: 60. C; Tend: 220. C
CapillaryMethyl Silicone1532.Mallavarapu, Rao, et al., 1998N2, 5. K/min; Column length: 25. m; Column diameter: 0.5 mm; Tstart: 60. C; Tend: 220. C

Kovats' RI, non-polar column, custom temperature program

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Column type Active phase I Reference Comment
CapillarySPB-11535.Riu-Aumatell, Castellari, et al., 200430. m/0.25 mm/0.25 μm; Program: not specified
CapillaryHP-51564.Sibanda, Chigwada, et al., 200430. m/0.25 mm/0.25 μm, He; Program: 40C(10min) => 3C/min => 200C => 2C/min => 220C
CapillaryBP-11543.Raina, Srivastava, et al., 200325. m/0.32 mm/0.25 μm, N2; Program: 60C => 5C/min => 220C(5min) => 3C/min => 245C(5min)
CapillaryHP-51562.Shellie and Marriott, 200330. m/0.25 mm/0.25 μm, He; Program: not specified
CapillaryDB-51562.Adams, 199830. m/0.26 mm/0.25 μm; Program: not specified

Kovats' RI, polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
PackedCarbowax 20M150.1904.ter Heide, 1968N2, Embacel; Column length: 2.5 m

Kovats' RI, polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryHP-Wax1906.Gauvin, Lecomte, et al., 200450. m/0.2 mm/0.4 μm, He, 4. K/min, 230. C @ 30. min; Tstart: 60. C
CapillaryCarbowax 20M1907.Kulkarni, Mallavarapu, et al., 1998N2, 5. K/min; Column length: 25. m; Column diameter: 0.25 mm; Tstart: 60. C; Tend: 200. C
CapillaryCarbowax 20M1889.Randriamiharisoa and Gaydou, 1987He, 2. K/min; Column length: 50. m; Column diameter: 0.3 mm; Tstart: 70. C; Tend: 210. C
CapillaryCarbowax 20M1833.Bernhard, Shibamoto, et al., 19833. K/min; Column length: 100. m; Column diameter: 0.28 mm; Tstart: 80. C; Tend: 200. C
CapillaryCarbowax 20M1836.Bernhard, Shibamoto, et al., 19833. K/min; Column length: 100. m; Column diameter: 0.28 mm; Tstart: 80. C; Tend: 200. C

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

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Column type Active phase I Reference Comment
CapillaryDB-11559.Sonboli, Azizian, et al., 200760. m/0.25 mm/0.25 μm, N2, 5. K/min, 250. C @ 10. min; Tstart: 60. C
CapillaryDB-11534.Ramezani, Behravan, et al., 200630. m/0.25 mm/0.25 μm, He, 2.5 K/min; Tstart: 50. C; Tend: 265. C
CapillaryHP-5MS1555.Saroglou, Dorizas, et al., 200630. m/0.25 mm/0.25 μm, He, 60. C @ 5. min, 4. K/min; Tend: 280. C
CapillaryHP-5MS1570.Saroglou, Dorizas, et al., 200630. m/0.25 mm/0.25 μm, He, 60. C @ 5. min, 4. K/min; Tend: 280. C
CapillaryBP-11537.Raina, Kumar, et al., 200430. m/0.32 mm/0.25 μm, N2, 5. K/min, 220. C @ 13. min; Tstart: 60. C
CapillaryHP-51565.Shellie and Marriott, 200330. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 40. C; Tend: 240. C
CapillaryDB-11536.9Sun and Stremple, 200330. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 40. C; Tend: 325. C
CapillaryHP-11540.Nath, Sarma, et al., 200224. m/0.32 mm/0.17 μm, He, 60. C @ 2. min, 4. K/min, 250. C @ 20. min
CapillaryHP-51554.Couladis, Tsortanidou, et al., 200130. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 380. C
CapillaryHP-51562.Song, Sawamura, et al., 200030. m/0.25 mm/0.25 μm, He, 2. K/min; Tstart: 70. C; Tend: 230. C
CapillaryDB-11539.4Chang, Sheng, et al., 19892. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tstart: 50. C; Tend: 300. C
CapillaryDB-11542.6Chang, Sheng, et al., 19892. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tstart: 50. C; Tend: 300. C

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

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Column type Active phase I Reference Comment
CapillaryHP-5MS1563.6Andriamaharavo, 201430. m/0.25 mm/0.25 μm, He; Program: 60C (1 min) => 5 C/min => 210C => 10 C/min => 280C (15 min)
Capillary5 % Phenyl methyl siloxane1564.Sacchetti, Maietti, et al., 200530. m/0.32 mm/0.15 μm, He; Program: 45C => 1C/min => 100C => 5C/min => 250C (10min)
CapillaryHP-51564.Isidorov, Krajewska, et al., 200130. m/0.25 mm/0.25 μm, He; Program: 50C => 6C/min => 100C => 4C/min => 280C

Normal alkane RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryRTX-11534.Dib, Djabou, et al., 201060. m/0.22 mm/0.25 μm, Helium, 2. K/min, 230. C @ 30. min; Tstart: 60. C
CapillaryDB-51549.El-Massry, El-Ghorab, et al., 200930. m/0.25 mm/0.25 μm, Helium, 3. K/min, 220. C @ 40. min; Tstart: 35. C
CapillaryDB-11565.Pala-Paul, Brophy, et al., 200750. m/0.25 mm/0.25 μm, He, 4. K/min; Tstart: 95. C; Tend: 240. C
CapillaryDB-11556.Sonboli, Kanani, et al., 200760. m/0.25 mm/0.25 μm, Nitrogen, 5. K/min, 250. C @ 10. min; Tstart: 60. C
CapillaryHP-5MS1562.Farah, Afifi, et al., 200630. m/0.25 mm/0.25 μm, He, 2. K/min; Tstart: 50. C; Tend: 250. C
CapillaryFSOT-RSL-2001564.Jirovetz, Eller, et al., 200630. m/0.32 mm/0.25 μm, Hydrogen, 40. C @ 5. min, 6. K/min, 280. C @ 5. min
CapillaryNB-301523.Orav, Raal, et al., 200630. m/0.2 mm/0.25 μm, He, 2. K/min; Tstart: 50. C; Tend: 250. C
CapillaryHP-51566.Pintore G., Chessa M., et al., 200630. m/0.25 mm/0.25 μm, He, 60. C @ 10. min, 5. K/min; Tend: 220. C
CapillaryDB-5 MS1544.Schirack, Drake, et al., 200630. m/0.25 mm/0.25 μm, 40. C @ 3. min, 8. K/min, 200. C @ 20. min
CapillaryDB-51563.Kalvandi, Sefidkon, et al., 200460. m/0.25 mm/0.25 μm, He, 40. C @ 4. min, 4. K/min; Tend: 280. C
CapillaryDB-51558.Miyazawa, Fuhita, et al., 2004Helium, 2. K/min, 240. C @ 999. min; Column length: 30. m; Column diameter: 0.25 mm; Tstart: 60. C
CapillaryDB-51558.Miyazawa, Fujita, et al., 2004Helium, 2. K/min, 240. C @ 999. min; Column length: 50. m; Column diameter: 0.25 mm; Tstart: 60. C
CapillaryDB-11549.Palá-Paúl, Pérez-Alonso, et al., 200250. m/0.25 mm/0.25 μm, N2, 4. K/min; Tstart: 80. C; Tend: 225. C
CapillaryBP-11534.Gupta, Mallavarapu, et al., 200130. m/0.25 mm/0.25 μm, N2, 5. K/min; Tstart: 60. C; Tend: 220. C
CapillarySPB-11540.Vijayanand, Rao, et al., 200130. m/0.32 mm/0.25 μm, He, 2. K/min; Tstart: 50. C; Tend: 250. C
CapillaryBP-11529.Rajeswara, Kaul, et al., 1996N2, 5. K/min; Column length: 25. m; Column diameter: 0.50 mm; Tstart: 60. C; Tend: 220. C
CapillaryDB-11531.Stashenko, Puertas, et al., 199660. m/0.25 mm/0.25 μm, He, 50. C @ 5. min, 2.5 K/min; Tend: 250. C

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

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Column type Active phase I Reference Comment
CapillaryDB-11544.Albano, Lima, et al., 201230. m/0.25 mm/0.25 μm, Hydrogen; Program: 45 0C 3 0C/min -> 175 0C 15 0C/min -> 300 0C (10 min)
CapillaryRTX-11530.Dib, Djabou, et al., 201060. m/0.22 mm/0.25 μm, Helium; Program: not specified
CapillaryHP-5 MS1562.Sharififar, Mozaffarian, et al., 200730. m/0.25 mm/0.25 μm, Helium; Program: not specified
CapillaryCP Sil 8 CB1562.Judpentienë and Mockutë, 200450. m/0.32 mm/0.25 μm, He; Program: 60C(2min) => 5C/min => 160C(1min) => 10C/min => 250C (5min)
CapillarySE-301532.Vinogradov, 2004Program: not specified
CapillaryDB-11544.Baratta, Dorman, et al., 199830. m/0.25 mm/0.25 μm, He; Program: 45C => 3C/min => 175C => 15C/min => 240C (10min)

Normal alkane RI, polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryRTX-Wax1877.Dib, Djabou, et al., 201060. m/0.22 mm/0.25 μm, Helium, 2. K/min, 230. C @ 30. min; Tstart: 60. C
CapillaryNB-20M1877.Orav, Raal, et al., 200630. m/0.2 mm/0.25 μm, He, 2. K/min; Tstart: 50. C; Tend: 250. C
CapillaryDB-Wax1888.Schirack, Drake, et al., 200630. m/0.25 mm/0.25 μm, 40. C @ 3. min, 8. K/min, 200. C @ 20. min
CapillaryCarbowax 20M1872.Babu and Kaul, 200560. m/0.25 mm/0.25 μm, N2, 40. C @ 2. min, 10. K/min, 190. C @ 15. min
CapillaryCP-Wax 52CB1872.Chagonda, Makanda, et al., 200050. m/0.30 mm/0.25 μm, He, 40. C @ 5. min, 3. K/min; Tend: 220. C
CapillaryDB-Wax1900.Tamura, Boonbumrung, et al., 2000Nitrogen, 40. C @ 10. min, 2. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 200. C
CapillaryDB-Wax1890.Werkhoff, Güntert, et al., 199860. m/0.32 mm/0.25 μm, H2, 3. K/min; Tstart: 60. C; Tend: 220. C
CapillaryDB-Wax1871.Stashenko, Puertas, et al., 199660. m/0.25 mm/0.25 μm, He, 50. C @ 5. min, 2.5 K/min; Tend: 180. C

Normal alkane RI, polar column, custom temperature program

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Column type Active phase I Reference Comment
CapillaryCarbowax 20M1872.Vinogradov, 2004Program: not specified
CapillaryHP-Innowax1901.Baser, Demirci, et al., 200260. m/0.25 mm/0.25 μm, He; Program: 60 0C (10 min) 4 K/min -> 220 0C (10 min) 1 K/min -> 240 0C
CapillaryInnowax1901.Baser, Nuriddinov, et al., 200260. m/0.25 mm/0.25 μm, He; Program: 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C

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.

Jalali-Heravi, Zekavat, et al., 2006
Jalali-Heravi, M.; Zekavat, B.; Sereshti, H., Characterization of essential oil components of Iranian geranium oil using gas chromatography-mass spectrometry combined with chemometric resolution techniques, J. Chromatogr. A, 2006, 1114, 1, 154-163, https://doi.org/10.1016/j.chroma.2006.02.034 . [all data]

Rajeswara Rao, Kaul, et al., 2005
Rajeswara Rao, B.R.; Kaul, P.N.; Syamasundar, K.V.; Ramesh, S., Chemical profiles of primary and secondary essential oils of palmarosa (Cymbopogon martinii (Roxb.) Wats var. motia Burk.), Ind. Crops Prod., 2005, 21, 1, 121-127, https://doi.org/10.1016/j.indcrop.2004.02.002 . [all data]

Rao, Kaul, et al., 2005
Rao, B.R.R.; Kaul, P.N.; Syamasundar, K.V.; Ramesh, S., Chemical profiles of primary and secondary essential oils of palmarosa (Cymbopogon martinii (Roxb.) Wats var. motia Burk.), Ind. Crops Prod., 2005, 21, 1, 121-127, https://doi.org/10.1016/j.indcrop.2004.02.002 . [all data]

Raina, Srivastava, et al., 2002
Raina, V.K.; Srivastava, S.K.; Jain, N.; Ahmad, A.; Syamasundar, K.V.; Aggarwal, K.K., Essential oil composition of Curcuma longa L. cv. Roma from the plains of northern India, Flavour Fragr. J., 2002, 17, 2, 99-102, https://doi.org/10.1002/ffj.1053 . [all data]

Rajeswara Rao, Kaul, et al., 2002
Rajeswara Rao, B.R.; Kaul, P.N.; Syamasundar, K.V.; Ramesh, S., Water soluble fractions of rose scented geranium (Pelargonium species) essential oil, Bioresour. Technol., 2002, 84, 3, 243-246, https://doi.org/10.1016/S0960-8524(02)00057-3 . [all data]

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Rajeswara Rao, B.R., Biomass yield, essential oil yield and essential oil composition of rose-scented geranium (Pelargonium species) as influenced by row spacings and intercropping with cornmint (Mentha arvensis L.f. piperascens Malinv. ex Holmes), Ind. Crops Prod., 2002, 16, 2, 133-144, https://doi.org/10.1016/S0926-6690(02)00038-9 . [all data]

Rao B.R.R., 2002
Rao B.R.R., Biomass yield, essential oil yield and essential oil composition of rose-scented geranium (Pelargonium species) as influenced by row spacings and intercropping with cornmint (Mentha arvensis L.f. piperascens Malinv. ex Holmes), Industrial Crops and Products, 2002, 16, 2, 133-144, https://doi.org/10.1016/S0926-6690(02)00038-9 . [all data]

Jain, Aggarwal, et al., 2001
Jain, N.; Aggarwal, K.K.; Syamasundar, K.V.; Srivastava, S.K.; Kumar, S., Essential oil composition of geranium (Pelargonium sp.) from the plains of Northern India, Flavour Fragr. J., 2001, 16, 1, 44-46, https://doi.org/10.1002/1099-1026(200101/02)16:1<44::AID-FFJ943>3.0.CO;2-X . [all data]

Rajeswara Rao, 2001
Rajeswara Rao, B.R., Biomass and essential oil yields of rainfed palmarosa (Cymbopogon martinii (Roxb.) Wats. var. motia Burk.) supplied with different levels of organic manure and fertilizer nitrogen in semi-arid tropical climate, Ind. Crops Prod., 2001, 14, 3, 171-178, https://doi.org/10.1016/S0926-6690(01)00081-4 . [all data]

Adams, 2000
Adams, R.P., Systematics of Juniperus section Juniperus based on leaf essential oils and random amplified polymorphic DNAs (RAPDs), Biochem. Syst. Ecol., 2000, 28, 6, 515-528, https://doi.org/10.1016/S0305-1978(99)00089-7 . [all data]

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Mallavarapu, G.R.; Rao, B.R.R.; Kaul, P.N.; Ramesh, S.; Bhattacharya, A.K., Volatile constituents of the essential oils of the seeds and the herb of palmarosa (Cymbopogon martinii (Roxb.) Wats. var. motia Burk.), Flavour Fragr. J., 1998, 13, 3, 167-169, https://doi.org/10.1002/(SICI)1099-1026(199805/06)13:3<167::AID-FFJ719>3.0.CO;2-B . [all data]

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Randriamiharisoa, R.P.; Gaydou, E.M., Composition of Palmarosa (Cymbopogon martinii) essential oil from Madagascar, J. Agric. Food Chem., 1987, 35, 1, 62-66, https://doi.org/10.1021/jf00073a015 . [all data]

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Raina, V.K.; Kumar, A.; Srivastava, S.K.; Syamsundar, K.V.; Kahol, A.P., Essential oil composition of 'kewda' (Pandanus odoratissimus) from India, Flavour Fragr. J., 2004, 19, 5, 434-436, https://doi.org/10.1002/ffj.1331 . [all data]

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Sun, G.; Stremple, P., Retention index characterization of flavor, fragrance, and many other compounds on DB-1 and DB-XLB, 2003, retrieved from http://www.chem.agilent.com/cag/cabu/pdf/b-0279.pdf. [all data]

Nath, Sarma, et al., 2002
Nath, S.C.; Sarma, K.K.; Vajezikova, I.; Leclercq, P.A., Comparison of volatile inflorescence oils and taxonomy of certain Cymbopogon taxa described as Cymbopogon flexuosus (Nees ex Steud.) Wats., Biochem. Syst. Ecol., 2002, 30, 2, 151-162, https://doi.org/10.1016/S0305-1978(01)00066-7 . [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]

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Notes

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