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Butanoic acid, 3-methyl-, hexyl ester


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 Spec Data Center, S.E. Stein, director

Kovats' RI, non-polar column, isothermal

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Column typeActive phaseTemperature (C)IReferenceComment
PackedSE-30150.1204.Ashes and Haken, 1974Celaton (62-72 mesh); Column length: 3.7 m

Kovats' RI, non-polar column, temperature ramp

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Column typeActive phaseIReferenceComment
CapillarySE-541243.Adams, 200030. m/0.26 mm/0.25 «mu»m, 3. K/min; Tstart: 60. C; Tend: 246. C
CapillaryDB-51242.Adams, 199930. m/0.26 mm/0.25 «mu»m, He, 3. K/min; Tstart: 60. C; Tend: 246. C

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

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Column typeActive phaseIReferenceComment
CapillarySE-301204.Chretien and Dubois, 1978Program: not specified

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

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Column typeActive phaseIReferenceComment
CapillaryHP-51245.Flamini, Tebano, et al., 200630. m/0.25 mm/0.25 «mu»m, N2, 60. C @ 10. min, 5. K/min; Tend: 220. C
CapillaryHP-51245.Ertugrul, Dural, et al., 200330. m/0.25 mm/0.25 «mu»m, N2, 60. C @ 10. min, 5. K/min; Tend: 220. C
CapillaryCP Sil 5 CB1222.Hendriks and Bruins, 19834. K/min; Column length: 25. m; Column diameter: 0.22 mm; Tstart: 70. C; Tend: 205. C

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

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Column typeActive phaseIReferenceComment
CapillaryDB-Wax1425.Fröhlich, Duque, et al., 198930. m/0.25 mm/0.25 «mu»m, He, 50. C @ 3. min, 4. K/min; Tend: 250. C
CapillaryDB-Wax1425.Fröhlich, Duque, et al., 198930. m/0.25 mm/0.25 «mu»m, He, 50. C @ 3. min, 4. K/min; Tend: 250. C

Normal alkane RI, non-polar column, temperature ramp

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Column typeActive phaseIReferenceComment
CapillaryVF-5 MS1244.Srisajjalerwaja, Apichartsrangkoon, et al., 201260. m/0.25 mm/0.25 «mu»m, Helium, 40. C @ 2. min, 4. K/min; Tend: 250. C
CapillaryDB-51242.Fraternale, Ricci, et al., 201130. m/0.25 mm/0.25 «mu»m, Helium, 3. K/min; Tstart: 60. C; Tend: 240. C
CapillaryHP-5 MS1245.Farhat, Ginies, et al., 200930. m/0.25 mm/0.25 «mu»m, Helium, 60. C @ 8. min, 2. K/min, 250. C @ 15. min
CapillarySE-541244.Laselan, Buettner, et al., 200930. m/0.32 mm/0.25 «mu»m, 0. C @ 2. min, 6. K/min; Tend: 200. C
CapillaryHP-5 MS1244.Forero, Quijano, et al., 200830. m/0.25 mm/0.25 «mu»m, Helium, 50. C @ 4. min, 4. K/min, 230. C @ 10. min
CapillarySPB-51240.Raal, Orav, et al., 200730. m/0.25 mm/0.25 «mu»m, He, 2. K/min; Tstart: 50. C; Tend: 250. C
CapillaryHP-51243.Pino, Sauri-Duch, et al., 200630. m/0.25 mm/0.25 «mu»m, H2, 50. C @ 2. min, 4. K/min, 280. C @ 10. min
CapillaryDB-11224.Shiota, 199330. m/0.25 mm/0.25 «mu»m, He, 50. C @ 5. min, 3. K/min; Tend: 240. C
CapillaryDB-11227.Shiota, 199330. m/0.25 mm/0.25 «mu»m, He, 50. C @ 5. min, 3. K/min; Tend: 240. C
CapillaryDB-11224.Shiota, 199330. m/0.25 mm/0.25 «mu»m, He, 50. C @ 3. min, 5. K/min; Tend: 240. C
CapillaryDB-11227.Shiota, 199330. m/0.25 mm/0.25 «mu»m, He, 50. C @ 3. min, 5. K/min; Tend: 240. C
CapillaryDB-11226.Binder, Benson, et al., 19904. K/min, 230. C @ 10. min; Column length: 60. m; Column diameter: 0.32 mm; Tstart: 50. C

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

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Column typeActive phaseIReferenceComment
CapillarySE-541244.Lasekan, Buettner, et al., 200730. m/0.32 mm/0.25 «mu»m; Program: 35C(2min) => 40C/min => 60C(2min) => 6C/min => 180C => 10C/min => 230C(10min)
CapillarySE-301204.Liu, Liang, et al., 2007Program: not specified
CapillaryDB-11225.Takeoka, Flath, et al., 198830. m/0.25 mm/0.25 «mu»m, H2; Program: 30C (2min) => 2C/min => 150C => 4C/min => 250C
CapillaryDB-11225.Takeoka, Flath, et al., 198830. m/0.25 mm/0.25 «mu»m, H2; Program: 30C (2min) => 2C/min => 150C => 4C/min => 250C

Normal alkane RI, polar column, temperature ramp

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Column typeActive phaseIReferenceComment
CapillaryCP-Wax CB1445.Alves, da Penha, et al., 201230. m/0.25 mm/0.25 «mu»m, Helium, 2. K/min, 150. C @ 5. min; Tstart: 50. C
CapillaryDB-FFAP1430.Laselan, Buettner, et al., 200930. m/0.32 mm/0.25 «mu»m, 0. C @ 2. min, 6. K/min; Tend: 200. C
CapillarySupelcowax-101450.Raal, Orav, et al., 200730. m/0.25 mm/0.25 «mu»m, He, 2. K/min; Tstart: 50. C; Tend: 250. C
CapillaryDB-Wax1447.Werkhoff, Güntert, et al., 199860. m/0.32 mm/0.25 «mu»m, H2, 3. K/min; Tstart: 60. C; Tend: 220. C
CapillaryDB-Wax1444.Binder, Benson, et al., 19904. K/min, 230. C @ 10. min; Column length: 60. m; Column diameter: 0.32 mm; Tstart: 50. C

Normal alkane RI, polar column, custom temperature program

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Column typeActive phaseIReferenceComment
CapillaryDB-FFAP1430.Lasekan, Buettner, et al., 200730. m/0.32 mm/0.25 «mu»m; Program: 35C(2min) => 40C/min => 50C(2min) => 6C/min => 180C => 10C/min => 230C(10min)
CapillaryHP-Innowax1432.Quijano and Pino, 200660. m/0.25 mm/0.25 «mu»m, Nitrogen; Program: 50 0C (4 min) -> 40 0C 4 0C/min -> 220 0C
CapillaryInnowax1457.Baser, Özek, et al., 200060. m/0.25 mm/0.25 «mu»m, He; Program: 60 0C (10 min) 4 K/min -> 220 0C (10 min) 1 K/min -> 240 0C
CapillaryCross-linked FFAP1442.Lavilla, Puy, et al., 199950. m/0.2 mm/0.33 «mu»m, N2; Program: 70C(1min) => 3C/min => 142C (2min) => 25C/min => 230C(5min)

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.

Ashes and Haken, 1974
Ashes, J.R.; Haken, J.K., Gas chromatography of homologous esters. VI. Structure-retention increments of aliphatic esters, J. Chromatogr., 1974, 101, 1, 103-123. [doi:10.1016/S0021-9673(01)94737-5] [all data]

Adams, 2000
Adams, R.P., Systematics of the one seeded Juniperus of the eastern hemisphere based on leaf essential oils and random amplified polymorphic DNAs (RAPDs), Biochem. Syst. Ecol., 2000, 28, 6, 529-543. [doi:10.1016/S0305-1978(99)00096-4] [all data]

Adams, 1999
Adams, R.P., Systematics of multi-seeded eastern hemisphere Juniperus based on leaf essential oils and RAPD DNA fingerprinting, Biochem. Syst. Ecol., 1999, 27, 7, 709-725. [doi:10.1016/S0305-1978(99)00016-2] [all data]

Chretien and Dubois, 1978
Chretien, J.R.; Dubois, J-E., Topological Analysis: A Technique for the Physico-Chemical Exploitation of Retention Data in Gas-Liquid Chromatography, J. Chromatogr., 1978, 158, 43-56. [doi:10.1016/S0021-9673(00)89954-9] [all data]

Flamini, Tebano, et al., 2006
Flamini, G.; Tebano, M.; Cioni, P.L.; Bagci, Y.; Dural, H.; Ertugrul, K.; Uysal, T.; Savran, A., A multivariate statistical approach to Centaurea classification using essential oil composition data of some species from Turkey, Pl. Syst. Evol., 2006, 261, 1-4, 217-228. [doi:10.1007/s00606-006-0448-3] [all data]

Ertugrul, Dural, et al., 2003
Ertugrul, K.; Dural, H.; Tugay, O.; Flamini, G.; Cioni, P.L.; Morelli, I., Essential oils from flowers of Centaurea kotschyi var. kotschyi and C. kotschyi var. decumbens from Turkey, Flavour Fragr. J., 2003, 18, 2, 95-97. [doi:10.1002/ffj.1168] [all data]

Hendriks and Bruins, 1983
Hendriks, H.; Bruins, A.P., A tentative identification of components in the essential oil of Cannabis sativa L. by a combination of gas chromatography negative ion chemical ionization mass spectrometry and retention indices, Biomed. Mass Spectrom., 1983, 10, 6, 377-381. [doi:10.1002/bms.1200100607] [all data]

Fröhlich, Duque, et al., 1989
Fröhlich, O.; Duque, C.; Schreier, P., Volatile constituents of curuba (Passiflora mollissima) fruit, J. Agric. Food Chem., 1989, 37, 2, 421-425. [doi:10.1021/jf00086a033] [all data]

Srisajjalerwaja, Apichartsrangkoon, et al., 2012
Srisajjalerwaja, S.; Apichartsrangkoon, A.; Chaikham, P.; Chakrabandhu, Y.; Pathomrungsiyounggul, P.; Leksawasdi, N.; Supraditareporn, W.; Hirun, S., Color, capsaicin and volatile components of baked thai green chili (Capsicum anmuum Linn. var. Jak Ka Pat), J. Agricultural Sci., 2012, 4, 12, 75-84. [all data]

Fraternale, Ricci, et al., 2011
Fraternale, D.; Ricci, D.; Flamini, G.; Giomaro, G., Volatile profile of red apple from Marche region (Italy), Rec. Nat. Prod., 2011, 5, 3, 202-207. [all data]

Farhat, Ginies, et al., 2009
Farhat, A.; Ginies, C.; Romdhane, M.; Chemat, F., Eco-friendly and cleaner process for isolation of essential oil usung microwave energy. Experimantal and theoretical study., J. Chromatogr. A., 2009, 1216, 26, 5077-5085. [doi:10.1016/j.chroma.2009.04.084] [all data]

Laselan, Buettner, et al., 2009
Laselan, P.; Buettner, A.; Christlbauer, M., Investigation of the retronasal perseption of palm wine (Elaeis guineensis) aroma by application of sensory analysis and exhaled odorant measurement (EXOM), African J. of Food, Agriculture, Nutrition and development, 2009, 9, 2, 793-813. [all data]

Forero, Quijano, et al., 2008
Forero, M.D.; Quijano, C.E.; Pino, J.A., Volatile compounds of Chile pepper (Capsicum annuum L. var. glabriusculum) at two ripening stages, Flavour Fragr. J., 2008, 24, 1, 25-30. [doi:10.1002/ffj.1913] [all data]

Raal, Orav, et al., 2007
Raal, A.; Orav, A.; Arak, E.; Kailas, T.; Müürisepp, M., Variation in the composition of the essential oil of Valeriana officinalis L. roots from Estonia, Proc. Est. Acad. Sci. Chem., 2007, 56, 2, 67-74. [all data]

Pino, Sauri-Duch, et al., 2006
Pino, J.; Sauri-Duch, E.; Marbot, R., Changes in volatile compounds of Habanero chile pepper (Capsicum chinense Jack. cv. Habanero) at two ripening stages, Food Chem., 2006, 94, 3, 394-398. [doi:10.1016/j.foodchem.2004.11.040] [all data]

Shiota, 1993
Shiota, H., New esteric components in the volatiles of banana fruit (Musa sapientum L.), J. Agric. Food Chem., 1993, 41, 11, 2056-2062. [doi:10.1021/jf00035a046] [all data]

Binder, Benson, et al., 1990
Binder, R.G.; Benson, M.E.; Flath, R.A., Volatile Components of Safflower, J. Agric. Food Chem., 1990, 38, 5, 1245-1248. [doi:10.1021/jf00095a020] [all data]

Lasekan, Buettner, et al., 2007
Lasekan, O.; Buettner, A.; Christlbauer, M., Investigation of important odorants of palm wine (Elaeis guineensis), Food Chem., 2007, 105, 1, 15-23. [doi:10.1016/j.foodchem.2006.12.052] [all data]

Liu, Liang, et al., 2007
Liu, F.; Liang, Y.; Cao, C.; Zhou, N., QSPR study of GC retention indices for saturated esters on seven stationary phases based on novel topological indices, Talanta, 2007, 72, 4, 1307-1315. [doi:10.1016/j.talanta.2007.01.038] [all data]

Takeoka, Flath, et al., 1988
Takeoka, G.R.; Flath, R.A.; Güntert, M.; Jennings, W., Nectarine volatiles: vacuum steam distillation versus headspace sampling, J. Agric. Food Chem., 1988, 36, 3, 553-560. [doi:10.1021/jf00081a037] [all data]

Alves, da Penha, et al., 2012
Alves, V.C.C.; da Penha, M.F.A.; Pinto, N. deO.F.; Garruti, D. dosS., Volatile compounds profile of Musa FHIA 02: an option to counter losses by Black Sigatoka, Nat. Prod. J., 2012, 5, 55-60. [all data]

Werkhoff, Güntert, et al., 1998
Werkhoff, P.; Güntert, M.; Krammer, G.; Sommer, H.; Kaulen, J., Vacuum headspace method in aroma research: flavor chemistry of yellow passion fruits, J. Agric. Food Chem., 1998, 46, 3, 1076-1093. [doi:10.1021/jf970655s] [all data]

Quijano and Pino, 2006
Quijano, C.E.; Pino, J.A., Changes in volatile constituents during the ripening of cocona (Solanum sessiliflorum Dunal) fruit, Revista CENIC Ciencias Quimicas, 2006, 37, 3, 133-136. [all data]

Baser, Özek, et al., 2000
Baser, K.H.C.; Özek, T.; Demirci, B.; Duman, H., Composition of the essential oil of Prangos heyniae H. Duman et M. F. Watson, a new endemic from Turkey, Flavour Fragr. J., 2000, 15, 1, 47-49. [doi:10.1002/(SICI)1099-1026(200001/02)15:1<47::AID-FFJ869>3.0.CO;2-9] [all data]

Lavilla, Puy, et al., 1999
Lavilla, T.; Puy, J.; López, M.L.; Recasens, I.; Vendrell, M., Relationships between volatile production, fruit quality, and sensory evaluation in Granny Smith apples stored in different controlled-atmosphere treatments by means of multivariate analysis, J. Agric. Food Chem., 1999, 47, 9, 3791-3803. [doi:10.1021/jf990066h] [all data]


Notes

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