Butanoic acid
- Formula: C4H8O2
- Molecular weight: 88.1051
- IUPAC Standard InChI: InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)
- 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, 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 | DB-5 | VF-5 MS | VF-5 MS | DB-5 MS | HP-5 MS |
| Column length (m) | 25. | 60. | 60. | 25. | 30. |
| Carrier gas | Helium | Helium | Helium | Helium | Helium |
| Substrate | |||||
| Column diameter (mm) | 0.20 | 0.32 | 0.32 | 0.20 | 0.32 |
| Phase thickness (μm) | 0.33 | 0.25 | 0.25 | 0.33 | 0.25 |
| Tstart (C) | 50. | 30. | 30. | 40. | 50. |
| Tend (C) | 240. | 260. | 260. | 250. | 240. |
| Heat rate (K/min) | 20. | 2. | 2. | 10. | 4. |
| Initial hold (min) | 1. | 1. | 2. | ||
| Final hold (min) | 28. | 28. | 10. | ||
| I | 784. | 803. | 803. | 793. | 793. |
| Reference | Cais-Sokolinska, Majcher, et al., 2011 | Leffingwell and Alford, 2011 | Leffingwell and Alford, 2011 | Majcher, Lawrowski, et al., 2010 | 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 | SE-54 | DB-5 | HP-5 MS | HP-5 | RTX-5 |
| Column length (m) | 30. | 60. | 30. | 10. | 60. |
| Carrier gas | Helium | Helium | Helium | ||
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.32 | 0.25 | 0.10 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.40 | 1. |
| Tstart (C) | 0. | 70. | 40. | 40. | |
| Tend (C) | 200. | 240. | 290. | 280. | 205. |
| Heat rate (K/min) | 6. | 6. | 5. | 20. | 4. |
| Initial hold (min) | 2. | 1. | 5. | ||
| Final hold (min) | 5. | 10. | 1. | 5. | |
| I | 821. | 856. | 763. | 786. | 791. |
| Reference | Laselan, Buettner, et al., 2009 | Mallia, Escher, et al., 2009 | Radulovic, Blagojevic, et al., 2009 | Mildner-Szkudlarz and Jelen, 2008 | Berdague, Tournayre, et al., 2007 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | 5 % Phenyl methyl siloxane | DB-5 | DB-5 | MDN-5 | OV-101 |
| Column length (m) | 30. | 30. | 30. | 60. | 25. |
| Carrier gas | He | He | N2 | He | N2/He |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.32 | 0.32 | 0.25 | 0.20 |
| Phase thickness (μm) | 1. | 0.25 | 0.25 | 0.25 | 0.10 |
| Tstart (C) | 40. | 40. | 40. | 40. | 50. |
| Tend (C) | 250. | 250. | 250. | 270. | 250. |
| Heat rate (K/min) | 7. | 4. | 4. | 4. | 6. |
| Initial hold (min) | 10. | 2. | 2. | 4. | |
| Final hold (min) | 5. | 5. | 5. | 5. | |
| I | 779. | 804. | 795. | 805. | 824. |
| Reference | Ramirez R. and Cava R., 2007 | Xu, Fan, et al., 2007 | Fan and Qian, 2005 | van Loon, Linssen, et al., 2005 | Zenkevich, 2005 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | SPB-5 | SPB-1 | RSL-200 | SPB-5 | AT-1 |
| Column length (m) | 60. | 30. | 30. | 60. | |
| Carrier gas | Helium | He | H2 | He | |
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.25 | 0.32 | 0.32 | |
| Phase thickness (μm) | 1.0 | 0.25 | 0.25 | 1. | |
| Tstart (C) | 30. | 40. | 40. | 40. | 50. |
| Tend (C) | 230. | 200. | 280. | 200. | 300. |
| Heat rate (K/min) | 3. | 3. | 6. | 3. | 10. |
| Initial hold (min) | 10. | 5. | 5. | 2. | |
| Final hold (min) | 5. | 5. | |||
| I | 769. | 802. | 779. | 775. | 809. |
| Reference | Sebastian, Viallon-Fernandez, et al., 2003 | Vichi, Castellote, et al., 2003 | Jirovetz, Buchbauer, et al., 2002 | Pérès, Begnaud, et al., 2002 | Kelling, 2001 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | RSL-200 | DB-5MS | DB-5 | HP-5 | DB-5 |
| Column length (m) | 30. | 30. | 30. | 60. | 30. |
| Carrier gas | H2 | He | He | He | H2 |
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.32 | 0.32 | 0.32 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 1. | 0.5 |
| Tstart (C) | 40. | 40. | 40. | 40. | 60. |
| Tend (C) | 280. | 195. | 230. | 240. | 245. |
| Heat rate (K/min) | 6. | 5. | 6. | 3. | 3. |
| Initial hold (min) | 5. | 5. | 2. | 3. | |
| Final hold (min) | 5. | 40. | 5. | 20. | |
| I | 778. | 825. | 821. | 784. | 829. |
| Reference | Ngassoum, Jirovetz, et al., 2001 | Suriyaphan, Drake, et al., 2001 | Czerny and Grosch, 2000 | García, Martín, et al., 2000 | Kotseridis and Baumes, 2000 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-5 | OV-101 | BP-5 | DB-5 | Ultra 1 |
| Column length (m) | 30. | 50. | 50. | 30. | 50. |
| Carrier gas | H2 | Nitrogen | He | Helium | |
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.25 | 0.32 | 0.32 | 0.20 |
| Phase thickness (μm) | 0.5 | 1. | 1. | 0.33 | |
| Tstart (C) | 60. | 40. | 40. | 40. | 30. |
| Tend (C) | 245. | 200. | 190. | 200. | 250. |
| Heat rate (K/min) | 3. | 2. | 2. | 3. | 1.7 |
| Initial hold (min) | 3. | 10. | 5. | 5. | 1. |
| Final hold (min) | 20. | ||||
| I | 829. | 803. | 796. | 783. | 780. |
| Reference | Kotseridis and Baumes, 2000 | Tamura, Boonbumrung, et al., 2000 | Lopez, Ferreira, et al., 1999 | Meynier, Novelli, et al., 1999 | Farkas, Sádecká, et al., 1997 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-5 | DB-5 | Ultra-2 | Ultra-2 | DB-1 |
| Column length (m) | 60. | 60. | 50. | 50. | 50. |
| Carrier gas | He | He | |||
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.32 | 0.32 | 0.32 | 0.32 |
| Phase thickness (μm) | 1. | 1. | 0.52 | 0.52 | |
| Tstart (C) | 40. | 40. | 40. | 40. | 0. |
| Tend (C) | 200. | 200. | 250. | 250. | 250. |
| Heat rate (K/min) | 3. | 3. | 4. | 4. | 3. |
| Initial hold (min) | 5. | 5. | 3. | 3. | |
| Final hold (min) | 2. | 2. | 30. | 30. | |
| I | 779. | 784. | 783. | 803. | 795. |
| Reference | Kondjoyan, Viallon, et al., 1997 | Kondjoyan, Viallon, et al., 1997 | King, Matthews, et al., 1995 | King, Hamilton, et al., 1993 | Habu, Flath, et al., 1985 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane 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.
Cais-Sokolinska, Majcher, et al., 2011
Cais-Sokolinska, D.; Majcher, M.; Pikul, J.; Bielinska, S.; Czauderma, M.; Wojtowski, J.,
The effect of Camelia sativa cake diet supplementation on sensory and volatile profiles of ewe's milk,
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Volatile constituents of the giant pufball mushroom (Calvatia gigantea),
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Majcher, Lawrowski, et al., 2010
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Comparison of original and adulterated oscypek cheese based on volatile and sensory profiles,
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Volatile compounds in noni (Morinda citrifolia L.) at two ripening stages,
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Mallia, Escher, et al., 2009
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Characterization and quantification of odor-active compounds in unsaturated fatty acid/conjugated linoleic acid (UFA/CLA)-enriched butter and in conventional butter during storage and induced oxidation,
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Radulovic, Blagojevic, et al., 2009
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Volatiles from vegetative organs of the paleoendemic resurrection plants Ramonda serbica Panc. and Ramonda nathaliae Panc. at Petrov,
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Mildner-Szkudlarz and Jelen, 2008
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The potential of different techniques for volatile compounds analysis coupled with PCA for the detection of the adulteration of olive oil with hazelnut oil,
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Berdague, Tournayre, et al., 2007
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Novel multi-gas chromatography?olfactometry device and software for the identification of odour-active compounds,
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Ramirez R. and Cava R., 2007
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Volatile profiles of dry-cured meat products from three different Iberian x Duroc genotypes,
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Xu, Fan, et al., 2007
Xu, Y.; Fan, W.; Qian, M.C.,
Characterization of Aroma Compounds in Apple Cider Using Solvent-Assisted Flavor Evaporation and Headspace Solid-Phase Microextraction,
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Fan and Qian, 2005
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Headspace Solid Phase Microextraction and Gas Chromatography-Olfactometry Dilution Analysis of Young and Aged Chinese Yanghe Daqu Liquors,
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van Loon, Linssen, et al., 2005
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Zenkevich, 2005
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Sebastian, Viallon-Fernandez, et al., 2003
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Analysis of the volatile fraction of lamb fat tissue: influence of the type of feeding,
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Vichi, Castellote, et al., 2003
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Jirovetz, Buchbauer, et al., 2002
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Pérès, Begnaud, et al., 2002
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Fast characterization of Camembert cheeses by static headspace-mass spectrometry,
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Ngassoum, Jirovetz, et al., 2001
Ngassoum, M.B.; Jirovetz, L.; Buchbauer, G.,
SPME/GC/MS analysis of headspace aroma compounds of the Cameroonian fruit Tetrapleura tetraptera (Thonn.) Taub.,
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Czerny and Grosch, 2000
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Potent odorants of raw Arabica coffee. Their changes during roasting,
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Farkas, Sádecká, et al., 1997
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King, Hamilton, et al., 1993
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Notes
Go To: Top, Normal alkane 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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