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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Van Den Dool and Kratz RI, non-polar column, temperature ramp
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 | SPB-5 | HP-5 | SE-54 | DB-5MS | DB-5MS |
Column length (m) | 60. | 30. | 50. | 30. | 30. |
Carrier gas | He | He | H2 | He | |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.25 | 0.32 | 0.25 | 0.25 |
Phase thickness (μm) | 1. | 0.25 | 0.25 | 0.25 | |
Tstart (C) | 40. | 50. | 40. | 30. | 40. |
Tend (C) | 230. | 250. | 240. | 250. | 200. |
Heat rate (K/min) | 3. | 4. | 8. | 2. | 5. |
Initial hold (min) | 2. | 4. | 2. | 2. | 5. |
Final hold (min) | 10. | 10. | 5. | 2. | 45. |
I | 789. | 790. | 823. | 822. | 850. |
Reference | Engel and Ratel, 2007 | Quijano, Salamanca, et al., 2007 | Schlutt B., Moran N., et al., 2007 | Schwambach and Peterson, 2006 | Whetstine M.E.C., Drake M.A., et al., 2006 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-5MS | DB-5 | HP-5 | HP-5 | HP-5 |
Column length (m) | 30. | 30. | 30. | 30. | 30. |
Carrier gas | N2 | He | He | He | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Tstart (C) | 40. | 40. | 50. | 50. | 50. |
Tend (C) | 200. | 230. | 250. | 250. | 250. |
Heat rate (K/min) | 10. | 5. | 4. | 4. | 4. |
Initial hold (min) | 3. | 2. | 5. | 5. | 5. |
Final hold (min) | 20. | 6. | 15. | 15. | 15. |
I | 840. | 824. | 831. | 848. | 841. |
Reference | Carunchia Whetstine, Croissant, et al., 2005 | Colahan-Sederstrom and Peterson, 2005 | Mahattanatawee, Goodner, et al., 2005 | Mahattanatawee, Goodner, et al., 2005 | Mahattanatawee, Goodner, et al., 2005 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP-5MS | DB-5 | ZB-5 | ZB-5 | CP-Sil 8CB-MS |
Column length (m) | 30. | 30. | 30. | 0. | 60. |
Carrier gas | He | Helium | |||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.32 | 0.32 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.50 | 0.5 | 0.25 |
Tstart (C) | 60. | 40. | 40. | 40. | 40. |
Tend (C) | 250. | 200. | 265. | 265. | 280. |
Heat rate (K/min) | 4. | 10. | 7. | 7. | 4. |
Initial hold (min) | 2. | 5. | 2. | ||
Final hold (min) | 20. | 15. | 5. | 5. | 5. |
I | 790. | 844. | 820. | 823. | 818. |
Reference | Pino, Mesa, et al., 2005 | Avsar, Karagul-Yuceer, et al., 2004 | Bell, 2004 | Gocmen, Gurbuz, et al., 2004 | Hierro, de la Hoz, et al., 2004 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | SPB-5 | DB-5MS | DB-5 | DB-5 | SPB-5 |
Column length (m) | 30. | 30. | 30. | 30. | 30. |
Carrier gas | He | He | He | ||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Tstart (C) | 60. | 35. | 35. | 35. | 60. |
Tend (C) | 250. | 200. | 250. | 250. | 250. |
Heat rate (K/min) | 4. | 10. | 4. | 4. | 4. |
Initial hold (min) | 2. | 5. | 2. | 2. | 2. |
Final hold (min) | 20. | 30. | 4. | 4. | 20. |
I | 780. | 804. | 818. | 818. | 780. |
Reference | Píno, Marbot, et al., 2004 | Karagül-Yüceer, Vlahovich, et al., 2003 | Peterson and Reineccius, 2003 | Peterson and Reineccius, 2003, 2 | Pino, Marbot, et al., 2003 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-5 | DB-5 | CP Sil 5 CB | CP-Sil 8CB-MS | DB-5 |
Column length (m) | 60. | 30. | 30. | 60. | 30. |
Carrier gas | He | H2 | |||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.32 | 0.25 | 0.25 | 0.32 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Tstart (C) | 40. | 35. | 60. | 40. | 35. |
Tend (C) | 275. | 200. | 280. | 280. | 200. |
Heat rate (K/min) | 7. | 10. | 2. | 4. | 10. |
Initial hold (min) | 5. | 10. | 2. | 5. | |
Final hold (min) | 30. | 40. | 30. | ||
I | 834. | 826. | 856. | 820. | 802. |
Reference | Valim, Rouseff, et al., 2003 | Karagül-Yüceer, Cadwallader, et al., 2002 | Pino, Marbot, et al., 2002 | Bruna, Hierro, et al., 2001 | Karagül-Yüceer, Drake, et al., 2001 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary |
---|---|---|
Active phase | SPB-5 | DB-1 |
Column length (m) | 60. | 60. |
Carrier gas | He | |
Substrate | ||
Column diameter (mm) | 0.32 | 0.25 |
Phase thickness (μm) | 1. | 0.25 |
Tstart (C) | 40. | 35. |
Tend (C) | 200. | 280. |
Heat rate (K/min) | 3. | 2. |
Initial hold (min) | 5. | 10. |
Final hold (min) | 2. | 10. |
I | 795. | 778. |
Reference | Verdier-Metz., Coulon, et al., 1998 | Specht and Baltes, 1994 |
Comment | MSDC-RI | MSDC-RI |
References
Go To: Top, Van Den Dool and Kratz RI, non-polar column, temperature ramp, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Engel and Ratel, 2007
Engel, E.; Ratel, J.,
Correction of the data generated by mass spectrometry analyses of biological tissues: Application to food authentication,
J. Chromatogr. A, 2007, 1154, 1-2, 331-341, https://doi.org/10.1016/j.chroma.2007.02.012
. [all data]
Quijano, Salamanca, et al., 2007
Quijano, C.E.; Salamanca, G.; Pino, J.A.,
Aroma volatile constituents of Colombian varieties of mango (Mangifera indica L.),
Flavour Fragr. J., 2007, 22, 5, 401-406, https://doi.org/10.1002/ffj.1812
. [all data]
Schlutt B., Moran N., et al., 2007
Schlutt B.; Moran N.; Schieberle P.; Hofmann T.,
Sensory-directed identification of creaminess-enhancing volatiles and semivolatiles in full-fat cream,
J. Agric. Food Chem., 2007, 55, 23, 9634-9645, https://doi.org/10.1021/jf0721545
. [all data]
Schwambach and Peterson, 2006
Schwambach, S.L.; Peterson, D.G.,
Reduction of Stale Flavor Development in Low-Heat Skim Milk Powder via Epicatechin Addition,
J. Agric. Food Chem., 2006, 54, 2, 502-508, https://doi.org/10.1021/jf0519764
. [all data]
Whetstine M.E.C., Drake M.A., et al., 2006
Whetstine M.E.C.; Drake M.A.; Nelson B.K.; Barbano D.M.,
Flavor profiles of full-fat and reduced-fat cheese and cheese fat made from aged cheddar with the fat removed using a novel process,
J. Dairy Res., 2006, 89, 2, 505-517, https://doi.org/10.3168/jds.S0022-0302(06)72113-0
. [all data]
Carunchia Whetstine, Croissant, et al., 2005
Carunchia Whetstine, M.E.; Croissant, A.E.; Drake, M.A.,
Characterization of Dried Whey Protein Concentrate and Isolate Flavor,
J. Dairy Sci., 2005, 88, 11, 3826-3839, https://doi.org/10.3168/jds.S0022-0302(05)73068-X
. [all data]
Colahan-Sederstrom and Peterson, 2005
Colahan-Sederstrom, P.M.; Peterson, D.G.,
Inhibition of key aroma compound generated during ultrahigh-temperature processing of bovine milk via epicatechin addition,
J. Agric. Food Chem., 2005, 53, 2, 398-402, https://doi.org/10.1021/jf0487248
. [all data]
Mahattanatawee, Goodner, et al., 2005
Mahattanatawee, K.; Goodner, K.L.; Baldwin, E.A.,
Volatile constituents and character impact compounds of selected Florida's tropical fruit,
Proc. Fla. State Hort. Soc., 2005, 118, 414-418. [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, https://doi.org/10.1021/jf0402633
. [all data]
Avsar, Karagul-Yuceer, et al., 2004
Avsar, Y.K.; Karagul-Yuceer, Y.; Drake, M.A.; Singh, T.K.; Yoon, Y.; Cadwallader, K.R.,
Characterization of nutty flavor in cheddar cheese,
J. Dairy Sci., 2004, 87, 7, 1999-2010, https://doi.org/10.3168/jds.S0022-0302(04)70017-X
. [all data]
Bell, 2004
Bell, W.A.-M.,
Examination of Aroma Volatiles Formed from Thermal Processing of Florida Reconstituted Grapefruit Juice. A Thesis presented to the graduate school of the university of Florida in partial fulfillment of the requirements for the degree of master of science, 2004. [all data]
Gocmen, Gurbuz, et al., 2004
Gocmen, D.; Gurbuz, O.; Rouseff, R.L.; Smoot, J.M.; Dagdelen, A.F.,
Gas chromatographic-olfactometric characterization of aroma active compounds in sun-dried and vacuum-dried tarhana,
Eur. Food Res. Technol., 2004, 218, 6, 573-578, https://doi.org/10.1007/s00217-004-0913-6
. [all data]
Hierro, de la Hoz, et al., 2004
Hierro, E.; de la Hoz, L.; Ordóñez, J.A.,
Headspace volatile compounds from salted and occasionally smoked dried meats (cecinas) as affected by animal species,
Food Chem., 2004, 85, 4, 649-657, https://doi.org/10.1016/j.foodchem.2003.07.001
. [all data]
Píno, Marbot, et al., 2004
Píno, J.A.; Marbot, R.; Vázquez, C.,
Volatile components of the fruits of Vangueria madagascariensis J. F. Gmel. from Cuba,
J. Essent. Oil Res., 2004, 16, 4, 302-304, https://doi.org/10.1080/10412905.2004.9698727
. [all data]
Karagül-Yüceer, Vlahovich, et al., 2003
Karagül-Yüceer, Y.; Vlahovich, K.N.; Drake, M.A.; Cadwallader, K.R.,
Characteristic aroma components of rennet casein,
J. Agric. Food Chem., 2003, 51, 23, 6797-6801, https://doi.org/10.1021/jf0345806
. [all data]
Peterson and Reineccius, 2003
Peterson, D.G.; Reineccius, G.A.,
Characterization of the volatile compounds that constitute fresh sweet cream butter aroma,
Flavour Fragr. J., 2003, 18, 3, 215-220, https://doi.org/10.1002/ffj.1192
. [all data]
Peterson and Reineccius, 2003, 2
Peterson, D.G.; Reineccius, G.A.,
Determination of the aroma impact compounds in heated sweet cream butter,
Flavour Fragr. J., 2003, 18, 4, 320-324, https://doi.org/10.1002/ffj.1228
. [all data]
Pino, Marbot, et al., 2003
Pino, J.; Marbot, R.; Rosado, A.; Vázquez, C.,
Volatile constituents of fruits of Garcinia dulcis Kurz. from Cuba,
Flavour Fragr. J., 2003, 18, 4, 271-274, https://doi.org/10.1002/ffj.1187
. [all data]
Valim, Rouseff, et al., 2003
Valim, M.F.; Rouseff, R.L.; Lin, J.,
Gas chromatographic-olfactometric characterization of aroma compounds in two types of cashew apple nectar,
J. Agric. Food Chem., 2003, 51, 4, 1010-1015, https://doi.org/10.1021/jf025738+
. [all data]
Karagül-Yüceer, Cadwallader, et al., 2002
Karagül-Yüceer, Y.; Cadwallader, K.R.; Drake, M.A.,
Volatile flavor components of stored nonfat dry milk,
J. Agric. Food Chem., 2002, 50, 2, 305-312, https://doi.org/10.1021/jf010648a
. [all data]
Pino, Marbot, et al., 2002
Pino, J.A.; Marbot, R.; Bello, A.,
Volatile compounds of Psidium salutare (H.B.K.) Berg. fruit,
J. Agric. Food Chem., 2002, 50, 18, 5146-5148, https://doi.org/10.1021/jf0116303
. [all data]
Bruna, Hierro, et al., 2001
Bruna, J.M.; Hierro, E.M.; de la Hoz, L.; Mottram, D.S.; Fernández, M.; Ordóñez, J.A.,
The contribution of Penicillium aurantiogriseum to the volatile composition and sensory quality of dry fermented sausages,
Meat Sci., 2001, 59, 1, 97-107, https://doi.org/10.1016/S0309-1740(01)00058-4
. [all data]
Karagül-Yüceer, Drake, et al., 2001
Karagül-Yüceer, Y.; Drake, M.; Cadwallader, K.R.,
Aroma-active components of nonfat dry milk,
J. Agric. Food Chem., 2001, 49, 6, 2948-2953, https://doi.org/10.1021/jf0009854
. [all data]
Verdier-Metz., Coulon, et al., 1998
Verdier-Metz., I.; Coulon, J.-B.; PPradel, P.; Viallon, C.; Berdague, J.-L.,
Effect of forage conservation (hay or silage) and cow breed on the coagulation properties of milks and on the characteristics of ripened cheeses,
J. Dairy Res., 1998, 65, 1, 9-21, https://doi.org/10.1017/S0022029997002616
. [all data]
Specht and Baltes, 1994
Specht, K.; Baltes, W.,
Identification of volatile flavor compounds with high aroma values from shallow-fried beef,
J. Agric. Food Chem., 1994, 42, 10, 2246-2253, https://doi.org/10.1021/jf00046a031
. [all data]
Notes
Go To: Top, Van Den Dool and Kratz RI, non-polar column, temperature ramp, References
- Symbols used in this document:
Tend Final temperature Tstart Initial temperature - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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