Butanoic acid
- Formula: C4H8O2
- Molecular weight: 88.1051
- IUPAC Standard InChIKey: FERIUCNNQQJTOY-UHFFFAOYSA-N
- CAS Registry Number: 107-92-6
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: Butyric acid; n-Butanoic acid; n-Butyric acid; Ethylacetic acid; Propylformic acid; 1-Butyric acid; 1-Propanecarboxylic acid; n-C3H7COOH; Propanecarboxylic acid; Butanic acid; Buttersaeure; Kyselina maselna; UN 2820; 1-Butanoic acid; NSC 8415
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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 | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | SLB-5 MS | SLB-5 MS | Polydimethyl siloxane with 5 % Ph groups | Polydimethyl siloxane with 5 % Ph groups | HP-5 MS |
Column length (m) | 30. | 30. | 30. | ||
Carrier gas | Helium | Helium | Helium | ||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.32 | ||
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | ||
Program | not specified | not specified | not specified | not specified | not specified |
I | 773. | 777. | 789. | 802. | 790. |
Reference | Mondello, 2012 | Mondello, 2012 | Robinson, Adams, et al., 2012 | Robinson, Adams, et al., 2012 | Pino, Marquez, et al., 2010 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-5 | SE-54 | HP-5 | HP-5 | HP-5 |
Column length (m) | 30. | 30. | 50. | 60. | 50. |
Carrier gas | Hydrogen | Helium | Helium | Helium | Helium |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.32 | 0.25 | 0.32 |
Phase thickness (μm) | 0.50 | 0.25 | 1.05 | 0.25 | 1.05 |
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 0C | not specified | 30 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. |
Reference | San-Juan, Petka, et al., 2010 | Christlbauer and Schieberle, 2009 | Pugliese, Sirtori, et al., 2009 | Rotsatschakul, Visesanguan, et al., 2009 | Ventanas, Estevez, et al., 2008 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-5 | DB-5 | SE-54 | SE-54 | HP-1 |
Column length (m) | 30. | 30. | 30. | 30. | 50. |
Carrier gas | He | He | |||
Substrate | |||||
Column diameter (mm) | 0.32 | 0.25 | 0.32 | 0.32 | 0.32 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.52 |
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. |
Reference | Buettner, 2007 | Greger and Schieberle, 2007 | Lasekan, Buettner, et al., 2007 | Lasekan, Buettner, et al., 2007 | Senger-Emonnot, Rochard, et al., 2006 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP-5 | SE-54 | HP-1 | HP-5 | DB-5 |
Column length (m) | 30. | 25. | 50. | 50. | |
Carrier gas | He | ||||
Substrate | |||||
Column diameter (mm) | 0.32 | 0.2 | 0.32 | 0.32 | |
Phase thickness (μm) | 0.25 | 0.11 | 1.05 | 1.05 | |
Program | not specified | 40C(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. |
Reference | Riu-Aumatell, Lopez-Tamames, et al., 2005 | Buettner, 2004 | Carpino, Mallia, et al., 2004 | Garcia-Estaban, Ansorena, et al., 2004 | Garcia-Estaban, Ansorena, et al., 2004, 2 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | SE-30 | DB-1 | SPB-5 | DB-5 MS | DB-5 |
Column length (m) | 30. | 60. | 30. | 30. | |
Carrier gas | H2 | Helium | |||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.32 | 0.25 | 0.53 | |
Phase thickness (μm) | 0.25 | 1. | 1.0 | 1. | |
Program | not specified | 40C(10min) => 2C/min => 110C => 5C/min => 200C(10min) | not specified | not specified | -40C(10min) => 70C/min => 40C(5min) => 3C/min => 180C => 6C/min => 280C(5min) |
I | 800. | 786. | 779. | 814. | 784. |
Reference | Vinogradov, 2004 | Alves and Franco, 2003 | Begnaud, Pérès, et al., 2003 | Luo and Agnew, 2001 | Young and Baumeister, 1999 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP-5 | DB-5 | SE-54 | DB-5 | DB-5 |
Column length (m) | 50. | 50. | 30. | 50. | 50. |
Carrier gas | He | He | He | He | He |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.32 | 0.32 | 0.32 |
Phase thickness (μm) | 0.52 | 0.25 | 0.25 | 0.25 | 0.25 |
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 => 240C | 40C (10min) => 3C/min => 95C => 10C/min => 270C (10min) | 40C (10min) => 3C/min => 95C => 10C/min => 270C (10min) |
I | 792. | 784. | 821. | 789. | 791. |
Reference | Timón, Ventanas, et al., 1998 | Mateo, Aguirrezábal, et al., 1997 | Schermann and Schieberle, 1997 | Mateo and Zumalacárregui, 1996 | Mateo and Zumalacárregui, 1996 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary |
---|---|---|---|
Active phase | DB-1 | DB-1 | SE-54 |
Column length (m) | 60. | 60. | 50. |
Carrier gas | He | ||
Substrate | |||
Column diameter (mm) | 0.32 | 0.32 | 0.32 |
Phase thickness (μm) | 0.25 | 0.25 | |
Program | not specified | 3 min at 5 C; 5 - 50 C at 3 deg/min; 50 - 220 C at 5 deg/min | 35 0C (5 min) 8 0C/min -> 200 0C 2 0C/min -> 250 0C |
I | 797. | 797. | 793. |
Reference | Ciccioli, Cecinato, et al., 1994 | Ciccioli, Brancaleoni, et al., 1993 | Um, Bailey, et al., 1992 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI |
References
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
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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
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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
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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
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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
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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]
Notes
Go To: Top, Normal alkane RI, non-polar column, custom temperature program, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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