Home Symbol which looks like a small house Up Solid circle with an upward pointer in it

Propanoic acid, 2-methyl-, butyl ester

Data at NIST subscription sites:

NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.


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 Spec Data Center, S.E. Stein, director

Kovats' RI, non-polar column, isothermal

View large format table.

Column typeActive phaseTemperature (C)IReferenceComment
CapillaryOV-10180.937.Komárek, Hornová, et al., 1983Column length: 15. m; Column diameter: 0.22 mm
PackedApiezon L120.895.Bogoslovsky, Anvaer, et al., 1978Celite 545
PackedApiezon L160.908.Bogoslovsky, Anvaer, et al., 1978Celite 545
PackedApiezon L130.894.Bogoslovsky, Anvaer, et al., 1978 
PackedSE-30150.931.Ashes and Haken, 1974Celaton (62-72 mesh); Column length: 3.7 m
PackedSE-30100.936.Chastrette, Heintz, et al., 1974N2, Chromosorb W AW (60-80 mesh); Column length: 3. m
PackedOV-1150.933.Ashes and Haken, 1971 
PackedSqualane70.891.Mira and Sanchez, 1970Chromosorb G
PackedSE-30100.952.Zarazir, Chovin, et al., 1970Chromosorb W; Column length: 2. m
PackedSE-30150.933.Germaine and Haken, 1969Celite 560; Column length: 3.7 m
PackedApiezon L130.894.Wehrli and Kováts, 1959Celite; Column length: 2.25 m
PackedApiezon L190.898.Wehrli and Kováts, 1959Celite; Column length: 2.25 m

Kovats' RI, non-polar column, temperature ramp

View large format table.

Column typeActive phaseIReferenceComment
CapillaryDB-1943.Takeoka, Flath, et al., 199060. m/0.32 mm/0.25 «mu»m, He, 30. C @ 4. min, 2. K/min; Tend: 210. C
CapillaryDB-1944.Takeoka, Flath, et al., 199060. m/0.32 mm/0.25 «mu»m, He, 30. C @ 4. min, 2. K/min; Tend: 210. C
CapillaryDB-1935.Takeoka, Flath, et al., 199060. m/0.32 mm/0.25 «mu»m, He, 30. C @ 4. min, 2. K/min; Tend: 210. C
CapillaryDB-1936.Takeoka, Flath, et al., 199060. m/0.32 mm/0.25 «mu»m, He, 30. C @ 4. min, 2. K/min; Tend: 210. C

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

View large format table.

Column typeActive phaseIReferenceComment
CapillarySE-30931.Chretien and Dubois, 1978Program: not specified

Kovats' RI, polar column, isothermal

View large format table.

Column typeActive phaseTemperature (C)IReferenceComment
PackedCarbowax 20M100.1145.Chastrette, Heintz, et al., 1974Chromosorb WAW (60-80 mesh); Column length: 3. m
PackedCarbowax 20M100.1197.Zarazir, Chovin, et al., 1970Chromosorb W; Column length: 2. m

Kovats' RI, polar column, temperature ramp

View large format table.

Column typeActive phaseIReferenceComment
CapillaryDB-Wax1149.Umano, Shoji, et al., 1986N2, 60. C @ 10. min, 2. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tend: 200. C

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

View large format table.

Column typeActive phaseIReferenceComment
CapillarySPB-5954.Balbontin, Gaete-Eastman, et al., 200730. m/0.25 mm/0.25 «mu»m, He, 50. C @ 2. min, 20. K/min, 220. C @ 2. min
CapillaryHP-5MS955.Pino, Mesa, et al., 200530. m/0.25 mm/0.25 «mu»m, He, 60. C @ 2. min, 4. K/min, 250. C @ 20. min

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

View large format table.

Column typeActive phaseIReferenceComment
CapillaryDB-1952.Eri, Khoo, et al., 200060. m/0.25 mm/0.25 «mu»m, He; Program: -20C (5min) => 10C/min => 100C => 4C/min => 200C => 10C/min => 280C

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

View large format table.

Column typeActive phaseIReferenceComment
CapillarySupelcowax-101154.Bianchi, Careri, et al., 200730. m/0.25 mm/0.25 «mu»m, He; Program: 35C(8min) => 4C/min => 60C => 6C/min => 160C => 20C/min => 200C(1min)

Normal alkane RI, non-polar column, isothermal

View large format table.

Column typeActive phaseTemperature (C)IReferenceComment
PackedSE-3070.944.Yabumoto, Jennings, et al., 1977 

Normal alkane RI, non-polar column, temperature ramp

View large format table.

Column typeActive phaseIReferenceComment
CapillaryHP-5 MS911.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
CapillaryDB-1934.Kumazawa, Itobe, et al., 200830. m/0.25 mm/0.25 «mu»m, He, 5. K/min; Tstart: 30. C; Tend: 210. C
CapillaryOV-101939.Anker, Jurs, et al., 19902. K/min; Column length: 50. m; Column diameter: 0.28 mm; Tstart: 80. C; Tend: 200. C
CapillarySE-30945.Alves and Jennings, 1979Helium, 2. K/min; Tstart: 70. C; Tend: 170. C

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

View large format table.

Column typeActive phaseIReferenceComment
CapillarySE-30931.Liu, Liang, et al., 2007Program: not specified
CapillarySE-30939.Vinogradov, 2004Program: not specified

Normal alkane RI, polar column, isothermal

View large format table.

Column typeActive phaseTemperature (C)IReferenceComment
PackedCarbowax 20M100.1147.Yabumoto, Jennings, et al., 1977 

Normal alkane RI, polar column, temperature ramp

View large format table.

Column typeActive phaseIReferenceComment
CapillaryDB-Wax1149.Kumazawa, Itobe, et al., 200830. m/0.25 mm/0.25 «mu»m, He, 5. K/min; Tstart: 30. C; Tend: 210. C
CapillaryInnowax1159.Suleimenov, Atazharova, et al., 2003He, 60. C @ 10. min, 4. K/min, 220. C @ 10. min; Column length: 60. m; Column diameter: 0.25 mm
CapillaryCarbowax 20M1139.Anker, Jurs, et al., 19902. K/min; Column length: 80. m; Column diameter: 0.2 mm; Tstart: 70. C; Tend: 170. C

Normal alkane RI, polar column, custom temperature program

View large format table.

Column typeActive phaseIReferenceComment
CapillaryFFAP1129.Ortiz, Echeverra, et al., 200950. m/0.20 mm/0.33 «mu»m, Helium; Program: 70 0C (1 min) 3 0C/min -> 142 0C 5 0C/min -> 225 0C (10 min)
CapillaryCarbowax 20M1139.Vinogradov, 2004Program: not specified

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.

Komárek, Hornová, et al., 1983
Komárek, K.; Hornová, L.; Horna, A.; Churácek, J., Glass capillary gas chromatography of homologous series of esters. IV. Separation of homologous series of certain halogenopropyl esters of aliphatic carboxylic acids on OV-101, J. Chromatogr., 1983, 281, 299-303. [doi:10.1016/S0021-9673(01)87889-4] [all data]

Bogoslovsky, Anvaer, et al., 1978
Bogoslovsky, Yu.N.; Anvaer, B.I.; Vigdergauz, M.S., Chromatographic constants in gas chromatography (in Russian), Standards Publ. House, Moscow, 1978, 192. [all data]

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]

Chastrette, Heintz, et al., 1974
Chastrette, M.; Heintz, M.; Druilhe, A.; Lefort, D., Analyse chromatographique d'esters aliphatiques saturés. Relations rétention-structure et prévision de la rétention, Bull. Soc. Chim. Fr., 1974, 9/10,Pt.1, 1852-1856. [all data]

Ashes and Haken, 1971
Ashes, J.R.; Haken, J.K., Gas chromatography of homologous esters. Part V. Retention of aliphatic esters on non-polar, donar and acceptor stationary phases, J. Chromatogr., 1971, 60, 33-44. [doi:10.1016/S0021-9673(00)95527-4] [all data]

Mira and Sanchez, 1970
Mira, J.M.; Sanchez, L.G., Polarity of the Gas Chromatographic Stationary Phases and Retention Indices of Aliphatic Esters, Ketones and Alcohols, Anal. Chim. Acta., 1970, 50, 2, 315-321. [doi:10.1016/0003-2670(70)80071-X] [all data]

Zarazir, Chovin, et al., 1970
Zarazir, D.; Chovin, P.; Guiochon, G., Identification of hydroxylic compounds and their derivatives by gas chromatography, Chromatographia, 1970, 3, 4, 180-195. [doi:10.1007/BF02269018] [all data]

Germaine and Haken, 1969
Germaine, R.W.; Haken, J.K., Gas chromatography of homologous esters. Part 1. Simple aliphatic esters, J. Chromatogr., 1969, 43, 33-42. [doi:10.1016/S0021-9673(00)99162-3] [all data]

Wehrli and Kováts, 1959
Wehrli, A.; Kováts, E., Gas-chromatographische Charakterisierung ogranischer Verbindungen. Teil 3: Berechnung der Retentionsindices aliphatischer, alicyclischer und aromatischer Verbindungen, Helv. Chim. Acta, 1959, 7, 7, 2709-2736. [doi:10.1002/hlca.19590420745] [all data]

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. [doi:10.1021/jf00092a031] [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]

Umano, Shoji, et al., 1986
Umano, K.; Shoji, A.; Hagi, Y.; Shibamoto, T., Volatile constituents of peel of quince fruit, Cydonia oblonga Miller, J. Agric. Food Chem., 1986, 34, 4, 593-596. [doi:10.1021/jf00070a003] [all data]

Balbontin, Gaete-Eastman, et al., 2007
Balbontin, C.; Gaete-Eastman, C.; Vergara, M.; Herrera, R.; Moya-Leon, M.A., Treatment with 1-MCP and the role of ethylene in aroma development of mountain papaya fruit, Postharvest Biol. Technol., 2007, 43, 1, 67-77. [doi:10.1016/j.postharvbio.2006.08.005] [all data]

Pino, Mesa, et al., 2005
Pino, J.A.; Mesa, J.; Muñoz, Y.; Martí, M.P.; Marbot, R., Volatile components from mango (Mangifera indica L.) cultivars, J. Agric. Food Chem., 2005, 53, 6, 2213-2223. [doi:10.1021/jf0402633] [all data]

Eri, Khoo, et al., 2000
Eri, S.; Khoo, B.K.; Lech, J.; Hartman, T.G., Direct thermal desorption-gas chromatography and gas chromatography-mass spectrometry profiling of hop (Humulus lupulus L.) essential oils in support of varietal characterization, J. Agric. Food Chem., 2000, 48, 4, 1140-1149. [doi:10.1021/jf9911850] [all data]

Bianchi, Careri, et al., 2007
Bianchi, F.; Careri, M.; Mangia, A.; Musci, M., Retention indices in the analysis of food aroma volatile compounds in temperature-programmed gas chromatography: Database creation and evaluation of precision and robustness, J. Sep. Sci., 2007, 39, 4, 563-572. [doi:10.1002/jssc.200600393] [all data]

Yabumoto, Jennings, et al., 1977
Yabumoto, K.; Jennings, W.G.; Yamaguchi, M., Gas chromatographic retention as identification criteria, Anal. Biochem., 1977, 78, 1, 244-251. [doi:10.1016/0003-2697(77)90029-X] [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]

Kumazawa, Itobe, et al., 2008
Kumazawa, K.; Itobe, T.; Nishimura, O.; Hamaguchi, T., A new approach to estimate the in-mouth release characteristics of odorants in chewing gum, Food Science and Technology Research, 2008, 14, 3, 269-276. [doi:10.3136/fstr.14.269] [all data]

Anker, Jurs, et al., 1990
Anker, L.S.; Jurs, P.C.; Edwards, P.A., Quantitative structure-retention relationship studies of odor-active aliphatic compounds with oxygen-containing functional groups, Anal. Chem., 1990, 62, 24, 2676-2684. [doi:10.1021/ac00223a006] [all data]

Alves and Jennings, 1979
Alves, S.; Jennings, W.G., Volatile composition of certain Amazonian fruits, Food Chem., 1979, 4, 2, 149-159. [doi:10.1016/0308-8146(79)90039-6] [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]

Vinogradov, 2004
Vinogradov, B.A., Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]

Suleimenov, Atazharova, et al., 2003
Suleimenov, E.M.; Atazharova, G.A.; Demirchi, B.; Baser, K.H.C.; Adekenov, S.M., Essential oil composition of Artemisia Lercheana and A. Sieversiana of Kazakhstan flora in Recent problems of development of new medicines of natural origin, Proceedings of symposium, St.Petersburg - Pushkin, 2003, 382-385. [all data]

Ortiz, Echeverra, et al., 2009
Ortiz, A.; Echeverra, G.; Graell, J.; Lara, I., Calcium dips enhance volatile emission of cold-stored Fuji Kiki-8 apples, J. Agric. Food Chem., 2009, 57, 11, 4931-4938. [doi:10.1021/jf9003576] [all data]


Notes

Go To: Top, Gas Chromatography, References