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

Butanoic acid

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.

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

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

Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase SLB-5 MSSLB-5 MSPolydimethyl siloxane with 5 % Ph groupsPolydimethyl siloxane with 5 % Ph groupsHP-5 MS
Column length (m) 30.30.  30.
Carrier gas HeliumHelium  Helium
Column diameter (mm) 0.250.25  0.32
Phase thickness (mum) 0.250.25  0.25
Program not specifiednot specifiednot specifiednot specifiednot specified
I 773.777.789.802.790.
ReferenceMondello, 2012Mondello, 2012Robinson, Adams, et al., 2012Robinson, Adams, et al., 2012Pino, Marquez, et al., 2010
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-5SE-54HP-5HP-5HP-5
Column length (m)
Carrier gas HydrogenHeliumHeliumHeliumHelium
Column diameter (mm) 0.320.320.320.250.32
Phase thickness (mum) 0.500.
Program 40 0C (5 min) 4 0C/min -> 100 0C 6 0C/min -> 220 0C (20 min)35 0C (2 min) 10 0C/min -> 50 0C (2 min) 6 0C/min -> 250 0Cnot specified30 0C (2 min) 2 0Cmin -> 60 0C 10 0C/min -> 100 0C 20 0C/min -> 140 0C 10 0C/min -> 200 0C (10 min)40 0C (10 min) 5 0C/min -> 200 0C 15 0C/min -> 250 0C (10 min)
I 821.821.788.781.780.
ReferenceSan-Juan, Petka, et al., 2010Christlbauer and Schieberle, 2009Pugliese, Sirtori, et al., 2009Rotsatschakul, Visesanguan, et al., 2009Ventanas, Estevez, et al., 2008
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-5DB-5SE-54SE-54HP-1
Column length (m)
Carrier gas  He  He
Column diameter (mm) 0.320.250.320.320.32
Phase thickness (mum)
Program 40C(2min) => 40C/min => 60C(2min) => 6C/min => 180C => 15C/min => 230C(10min)40C(1min) => 7C/min => 110C => 5C/min => 180C => 10C/min => 240C(10min)35C(2min) => 40C/min => 60C(2min) => 6C/min => 180C => 10C/min => 230C(10min)35C(2min) => 40C/min => 60C(2min) => 6C/min => 180C => 10C/min => 230C(10min)40C => 2C/min => 130C => 4C/min => 250C (25min)
I 821.821.821.821.804.
ReferenceBuettner, 2007Greger and Schieberle, 2007Lasekan, Buettner, et al., 2007Lasekan, Buettner, et al., 2007Senger-Emonnot, Rochard, et al., 2006
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-5SE-54HP-1HP-5DB-5
Column length (m)
Carrier gas  He   
Column diameter (mm)  0.320.20.320.32
Phase thickness (mum)
Program not specified40C(2min) => 40C/min => 50C(2min) => 6C/min => 180C => 15C/min => 230C (10min)35C(3min) => 4C/min => 190C => 30C/min => 225C(3min)40C(10min) => 5C/min => 200C => 20C/min => 250C(5min)40C(10min) => 5C/min => 200C => 20C/min => 250C (5min)
I 820.821.823.788.788.
ReferenceRiu-Aumatell, Lopez-Tamames, et al., 2005Buettner, 2004Carpino, Mallia, et al., 2004Garcia-Estaban, Ansorena, et al., 2004Garcia-Estaban, Ansorena, et al., 2004, 2
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase SE-30DB-1SPB-5DB-5 MSDB-5
Column length (m)
Carrier gas  H2 Helium 
Column diameter (mm)  0.250.320.250.53
Phase thickness (mum)
Program not specified40C(10min) => 2C/min => 110C => 5C/min => 200C(10min)not specifiednot specified-40C(10min) => 70C/min => 40C(5min) => 3C/min => 180C => 6C/min => 280C(5min)
I 800.786.779.814.784.
ReferenceVinogradov, 2004Alves and Franco, 2003Begnaud, Pérès, et al., 2003Luo and Agnew, 2001Young and Baumeister, 1999
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-5DB-5SE-54DB-5DB-5
Column length (m)
Carrier gas HeHeHeHeHe
Column diameter (mm) 0.320.320.320.320.32
Phase thickness (mum) 0.520.
Program 35 0C 10 0C/min -> 200 0C (20 min) 5 0C/min -> 230 0C (50 min)40C(10min) => 3C/min => 95C => 10C/min => 270C(10min)35C (2min) => 40C/min => 60C (2min) => 6C/min => 180C => 10C/min => 240C40C (10min) => 3C/min => 95C => 10C/min => 270C (10min)40C (10min) => 3C/min => 95C => 10C/min => 270C (10min)
I 792.784.821.789.791.
ReferenceTimón, Ventanas, et al., 1998Mateo, Aguirrezábal, et al., 1997Schermann and Schieberle, 1997Mateo and Zumalacárregui, 1996Mateo and Zumalacárregui, 1996
Column type CapillaryCapillaryCapillary
Active phase DB-1DB-1SE-54
Column length (m) 60.60.50.
Carrier gas   He
Column diameter (mm) 0.320.320.32
Phase thickness (mum) 0.250.25 
Program not specified3 min at 5 C; 5 - 50 C at 3 deg/min; 50 - 220 C at 5 deg/min35 0C (5 min) 8 0C/min -> 200 0C 2 0C/min -> 250 0C
I 797.797.793.
ReferenceCiccioli, Cecinato, et al., 1994Ciccioli, Brancaleoni, et al., 1993Um, Bailey, et al., 1992


Go To: Top, Normal alkane RI, non-polar column, custom temperature program, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Mondello, 2012
Mondello, L., HS-SPME-GCxGC-MS analysis of Yerba Mate (Ilex paraguariensis) in Shimadzu GC-GC application compendium of comprehensive 2D GC, Vol. 1-5, Shimadzu Corp., 2012, 1-29. [all data]

Robinson, Adams, et al., 2012
Robinson, A.L.; Adams, D.O.; Boss, P.K.; Heymann, H.; Solomon, P.S.; Trengove, R.D., Influence of geographic origine on the sensory characteristics and wine composition of Vitus viniferas cv. Cabernet Sauvignon wines from Australia (Supplemental data), Am. J. Enol. Vitic., 2012, 64, 4, 467-476, https://doi.org/10.5344/ajev.2012.12023 . [all data]

Pino, Marquez, et al., 2010
Pino, J.A.; Marquez, E.; Quijano, C.E.; Castro, D., Volatile compounds in noni (Morinda citrifolia L.) at two ripening stages, Ciencia e Technologia de Alimentos, 2010, 30, 1, 183-187, https://doi.org/10.1590/S0101-20612010000100028 . [all data]

San-Juan, Petka, et al., 2010
San-Juan, F.; Petka, J.; Cacho, J.; Ferreira, V.; Escudero, A., Producing headspace extracts for the gas chromatography - olphactometric evaluation of wine aroma, Food Chemistry, 2010, 123, 1, 188-195, https://doi.org/10.1016/j.foodchem.2010.03.129 . [all data]

Christlbauer and Schieberle, 2009
Christlbauer, M.; Schieberle, P., Characterization of the key aroma compounds in beef and pork vegetable gravies a la chef by application of the aroma extract dilution analysis, J. Agric. Food Chem., 2009, 57, 19, 9114-9112, https://doi.org/10.1021/jf9023189 . [all data]

Pugliese, Sirtori, et al., 2009
Pugliese, C.; Sirtori, F.; Ruiz, J.; Martin, D.; Parenti, S.; Franci, O., Effect of pasture on chestnut or acorn on fatty acid composition and aromatic profile of fat of China Senece dry-cured ham, Gracas y Aceites, 2009, 60, 3, 271-276, https://doi.org/10.3989/gya.130208 . [all data]

Rotsatschakul, Visesanguan, et al., 2009
Rotsatschakul, P.; Visesanguan, W.; Smitinont, T.; Chaiseri, S., Changes in volatile compounds during fermentation of nham (Thai fermented sausage), Int. Food Res. J., 2009, 16, 391-414. [all data]

Ventanas, Estevez, et al., 2008
Ventanas, S.; Estevez, M.; Andres, A.I.; Ruiz, J., Analysis of volatile compounds of Iberian dry-cured loins with different intramuscular fat contents using SPME-DED, Meat Sci., 2008, 79, 1, 172-180, https://doi.org/10.1016/j.meatsci.2007.08.011 . [all data]

Buettner, 2007
Buettner, A., A selective and sensitive approach to characterize odour-active and volatile constituents in small-scale human milk samples, Flavour Fragr. J., 2007, 22, 6, 465-473, https://doi.org/10.1002/ffj.1822 . [all data]

Greger and Schieberle, 2007
Greger, V.; Schieberle, P., Characterization of the Key Aroma Compounds in Apricots (Prunus armeniaca) by Application of the Molecular Sensory Science Concept, J. Agric. Food Chem., 2007, 55, 13, 5221-5228, https://doi.org/10.1021/jf0705015 . [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, https://doi.org/10.1016/j.foodchem.2006.12.052 . [all data]

Senger-Emonnot, Rochard, et al., 2006
Senger-Emonnot, P.; Rochard, S.; Pellegrin, F.; George, G.; Fernandez, X.; Lizzani-Cuvelier, L., Odour active aroma compounds of sea fig (Microcosmus sulcatus), Food Chem., 2006, 97, 3, 465-471, https://doi.org/10.1016/j.foodchem.2005.05.026 . [all data]

Riu-Aumatell, Lopez-Tamames, et al., 2005
Riu-Aumatell, M.; Lopez-Tamames, E.; Buxaderas, S., Assessment of the Volatile Composition of Juices of Apricot, Peach, and Pear According to Two Pectolytic Treatments, J. Agric. Food Chem., 2005, 53, 20, 7837-7843, https://doi.org/10.1021/jf051397z . [all data]

Buettner, 2004
Buettner, A., Investigation of potent odorants and afterodor development in two chardonnay wines using the Buccal Odor Screening System (BOSS), J. Agric. Food Chem., 2004, 52, 8, 2339-2346, https://doi.org/10.1021/jf035322b . [all data]

Carpino, Mallia, et al., 2004
Carpino, S.; Mallia, S.; La Terra, S.; Melilli, C.; Licitra, G.; Acree, T.E.; Barbano, D.M.; van Soest, P.J., Composition and aroma compounds of ragusano cheese: native pasture and total mixed rations, J. Dairy Sci., 2004, 87, 4, 816-830, https://doi.org/10.3168/jds.S0022-0302(04)73226-9 . [all data]

Garcia-Estaban, Ansorena, et al., 2004
Garcia-Estaban, M.; Ansorena, D.; Astiasaran, I.; Martin, D.; Ruiz, J., Comparison of simultaneous distillation extraction (SDE) and solid-phase microextraction (SPME) for the analysis of volatile compounds in dry-cured ham, J. Sci. Food Agric., 2004, 84, 11, 1364-1370, https://doi.org/10.1002/jsfa.1826 . [all data]

Garcia-Estaban, Ansorena, et al., 2004, 2
Garcia-Estaban, M.; Ansorena, D.; Astiasarán, I.; Ruiz, J., Study of the effect of different fiber coatings and extraction conditions on dry cured ham volatile compounds extracted by solid-phase microextraction (SPME), Talanta, 2004, 64, 2, 458-466, https://doi.org/10.1016/j.talanta.2004.03.007 . [all data]

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

Alves and Franco, 2003
Alves, G.L.; Franco, M.R.B., Headspace gas chromatography-mass spectrometry of volatile compounds in murici (Byrsonima crassifolia L. Rich), J. Chromatogr. A, 2003, 985, 1-2, 297-301, https://doi.org/10.1016/S0021-9673(02)01398-5 . [all data]

Begnaud, Pérès, et al., 2003
Begnaud, F.; Pérès, C.; Berdagué, J.-L., Characterization of volatile effluents of livestock buildings by solid-phase microextraction, Int. J. Environ. Anal. Chem., 2003, 83, 10, 837-849, https://doi.org/10.1080/03067310310001603349 . [all data]

Luo and Agnew, 2001
Luo, J.; Agnew, M.P., Gas characteristics before and after biofiltration treating odorous emissions from animal rendering processes, Environ. Technol., 2001, 22, 9, 1091-1103, https://doi.org/10.1080/09593332208618220 . [all data]

Young and Baumeister, 1999
Young, O.A.; Baumeister, B.M.B., The effect of diet on the flavour of cooked beef and the odour compounds in beef fat, N.Z. J. Agric. Res., 1999, 42, 3, 297-304, https://doi.org/10.1080/00288233.1999.9513379 . [all data]

Timón, Ventanas, et al., 1998
Timón, M.L.; Ventanas, J.; Martín, L.; Tejeda, J.F.; García, C., Volatile compounds in supercritical carbon dioxide extracts of Iberian ham, J. Agric. Food Chem., 1998, 46, 12, 5143-5150, https://doi.org/10.1021/jf980652v . [all data]

Mateo, Aguirrezábal, et al., 1997
Mateo, J.; Aguirrezábal, M.; Domínguez, C.; Zumalacárregui, J.M., Volatile compounds in Spanish paprika, J. Food Comp. Anal., 1997, 10, 3, 225-232, https://doi.org/10.1006/jfca.1997.0535 . [all data]

Schermann and Schieberle, 1997
Schermann, P.; Schieberle, P., Evaluation of key odorants in milk chocolate and cocoa mass by aroma extract dilution analyses, J. Agric. Food Chem., 1997, 45, 3, 867-872, https://doi.org/10.1021/jf960670h . [all data]

Mateo and Zumalacárregui, 1996
Mateo, J.; Zumalacárregui, J.M., Volatile compounds in chorizo and their changes during ripening, Meat Sci., 1996, 44, 4, 255-273, https://doi.org/10.1016/S0309-1740(96)00028-9 . [all data]

Ciccioli, Cecinato, et al., 1994
Ciccioli, P.; Cecinato, A.; Brancaleoni, E.; Brachetti, A.; Frattoni, M.; Sparapani, R., Composition and Distribution of Polar and Non-Polar VOCs in Urban, Rural, Forest and Remote Areas, Eur Commission EUR, 1994, 549-568. [all data]

Ciccioli, Brancaleoni, et al., 1993
Ciccioli, P.; Brancaleoni, E.; Cecinato, A.; Sparapani, R.; Frattoni, M., Identification and determination of biogenic and anthropogenic volatile organic compounds in forest areas of Northern and Southern Europe and a remote site of the Himalaya region by high-resolution gas chromatography-mass spectrometry, J. Chromatogr., 1993, 643, 1-2, 55-69, https://doi.org/10.1016/0021-9673(93)80541-F . [all data]

Um, Bailey, et al., 1992
Um, K.W.; Bailey, M.E.; Clarke, A.D.; Chao, R.R., Concentration and identification of volatile compounds from heated beef fat using supercritical CO2 extraction-gas liquid chromatography/mass spectrometry, J. Agric. Food Chem., 1992, 40, 9, 1641-1646, https://doi.org/10.1021/jf00021a033 . [all data]


Go To: Top, Normal alkane RI, non-polar column, custom temperature program, References