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
View 3d structure (requires JavaScript / HTML 5) - 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, 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 | Supelcowax-10 | DB-Wax | FFAP | Stabilwax | FFAP |
| Column length (m) | 30. | 30. | 25. | 30. | 30. |
| Carrier gas | He | H2 | He | He | |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.32 | 0.32 | 0.25 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.5 | 0.2 | 0.25 | 0.25 |
| Program | 35C(8min) => 4C/min => 60C => 6C/min => 160C => 20C/min => 200C(1min) | 40C(5min) => 4C/min => 100C6C/min => 136C => 3C/min => 220C (10min) | 40C(1min) => 40C/min => 60C(1min) => 6C/min => 180C => 15C/min => 240C | 40C => 3C/min => 100C => 5C/min => 240C(10min) | 40C(2min) => 6C/min => 150C => 20C/min => 230C |
| I | 1630. | 1641. | 1620. | 1627. | 1625. |
| Reference | Bianchi, Careri, et al., 2007 | Escudero, Campo, et al., 2007 | Frauendorfer and Schieberle, 2006 | Natali N., Chinnici F., et al., 2006 | Schuh and Schieberle, 2006 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-Wax | DB-Wax | FFAP | FFAP | DB-FFAP |
| Column length (m) | 30. | 30. | 30. | 60. | 30. |
| Carrier gas | H2 | H2 | He | He | |
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.32 | 0.32 | 0.25 | 0.32 |
| Phase thickness (μm) | 0.5 | 0.5 | 0.25 | 0.5 | 0.25 |
| Program | 60C(3min) => 2C/min => 220C => 3C/min => 245C (20min) | 60C(3min) => 2C/min => 220C => 3C/min => 245C(20min) | 35C(2min) => 40C/min => 60C(2min) => 6C/min => 180C => 20C/min => 230C(10min) | 50C(3min) => 3C/min => 100C => 10C/min => 220C (13.5min) | 40C(2min) => 6C/min => 150C => 20C/min => 230C |
| I | 1622. | 1622. | 1629. | 1657. | 1625. |
| Reference | Selli, Canbas, et al., 2006 | Selli, Canbas, et al., 2006, 2 | Fritsch and Schieberle, 2005 | Ranau and Steinhart, 2005 | Schuh and Schieberle, 2005 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | Stabilwax | Stabilwax | DB-Wax | Stabilwax | DB-Wax |
| Column length (m) | 30. | 30. | 60. | 30. | 30. |
| Carrier gas | He | He | He | He | H2 |
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.32 | 0.25 | 0.32 | 0.32 |
| Phase thickness (μm) | 1. | 1. | 0.25 | 1. | 0.5 |
| Program | 40C(2min) => 5C/min => 100C => 4C/min => 230C (10min) | 40C(2min) => 5C/min => 100C => 4C/min => 230C (10min) | 35C(0.7min) => 20C/min => 70C => 4C/min => 240C | 40C (2min) => 5C/min => 100C => 4C/min => 230C (10min) | 60C(3min) => 2C/min => 220C => 3C/min => 245C (20min) |
| I | 1648. | 1663. | 1620. | 1650. | 1622. |
| Reference | Wang, Finn, et al., 2005 | Wang, Finn, et al., 2005 | Ferrari, Lablanquie, et al., 2004 | Klesk, Qian, et al., 2004 | Selli, Cabaroglu, et al., 2004 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | CP-Wax 52CB | Carbowax 20M | DB-FFAP | Stabilwax | FFAP |
| Column length (m) | 60. | 25. | 30. | 30. | 25. |
| Carrier gas | He | H2 | He | He | |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.32 | 0.32 | 0.32 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 1. | 0.3 |
| Program | 45C(5min) => 10C/min => 80C => 2C/min => 240C | 40C (8min) => 3C/min => 180C => 20C/min => 230C | 35C(2min) => 6C/min => 180C => 10C/min => 240C (10min) | 40C(2min) => 5C/min => 100C => 4C/min => 230C(10min) | 35C(2min) => 5C/min => 170C => 20C/min => 240C (10min) |
| I | 1635. | 1670. | 1618. | 1650. | 1617. |
| Reference | Verzera, Ziino, et al., 2004 | Boido, Lloret, et al., 2003 | Huynh-Ba, Matthey-Doret, et al., 2003 | Klesk and Qian, 2003 | Fuhrmann and Grosch, 2002 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | FFAP | FFAP | FFAP | DB-Wax | FFAP |
| Column length (m) | 30. | 30. | 30. | 30. | 30. |
| Carrier gas | He | He | He | H2 | |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.32 | 0.32 | 0.32 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.5 | 0.25 |
| Program | 40C(1min) => 40C/min => 50C(2min) => 6C/min => 240C | 35C (2min) => 60C/min => 50C (2min) => 6C/min => 240C (10min) | 35C (2min) => 60C/min => 50C (2min) => 6C/min => 240C (10min) | 60C (3min) => 2C/min => 220C => 3C/min => 245C (20min) | 50C (2min) => 6C/min => 180C => 10C/min => 240C(10min) |
| I | 1625. | 1618. | 1618. | 1610. | 1625. |
| Reference | Jezussek, Juliano, et al., 2002 | Kirchhoff and Schieberle, 2002 | Kirchhoff and Schieberle, 2002 | Nurgel, Erten, et al., 2002 | Rhlid, Fleury, et al., 2002 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-FFAP | DB-Wax | DB-Wax | FFAP | DB-FFAP |
| Column length (m) | 30. | 30. | 30. | 30. | 30. |
| Carrier gas | He | H2 | He | He | |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.32 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Program | 35 0C (2 min) 40 K/min -> 60 0C (2 min) 6 K/min -> 230 0C | 60C (3min) => 2C/min => 220C => 5C/min => 250C (15min) | 20C(30s) => fast => 60C => 4C/min => 220C (20min) | 40C(2min) => 40C/min => 60C(2min) => 6C/min => 240C(10min) | 35C(2min) => 40C/min => 60C (2min) => 5C/min => 240C |
| I | 1629. | 1599. | 1611. | 1618. | 1622. |
| Reference | Zehentbauer and Reineccius, 2002 | Boulanger and Crouzet, 2001 | Cantergiani, Brevard, et al., 2001 | Kirchhoff and Schieberle, 2001 | Rychlik and Bosset, 2001 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-Wax | DB-Wax | DB-Wax | DB-FFAP | DB-FFAP |
| Column length (m) | 60. | 30. | 30. | 30. | 30. |
| Carrier gas | He | H2 | H2 | ||
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.32 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | |
| Program | 45C(4min) => 30C/min => 60C (5min) => 3C/min => 220C (40min) | 60 0C (3 min) 2 K/min -> 220 0C 5 K/min -> 250 0C (15 min) | 60C(3min) => 2C/min => 220C => 5C/min => 250C (15min) | 40C(2min) => 40C/min => 60C (2min) => 6C/min => 180C => 10C/min => 240C (5min) | 40C(2min) => 40C/min => 60C (2min) => 6C/min => 180C => 10C/min => 240C (5min) |
| I | 1627. | 1597. | 1594. | 1599. | 1600. |
| Reference | Ziegleder, 2001 | Boulanger and Crouzet, 2000 | Boulanger and Crouzet, 2000, 2 | Munk, Munch, et al., 2000 | Munk, Munch, et al., 2000 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | FFAP | FFAP | FFAP | FFAP | FFAP |
| Column length (m) | 30. | 30. | 30. | 30. | 30. |
| Carrier gas | He | He | 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 | 0.25 |
| Program | 35C (2min) => 40C/min => 60C (2min) => 6C/min => 180C (5min) => 10C/min => 230C (5min) | 35C(2min) => 40C/min => 60C => 6C/min => 180C 20C/min => 240C(10min) | 35C (2min) => 40C/min => 60C (2min) => 6C/min => 180C => 10C/min => 230C (10min) | 35C (2min) => 40C/min => 60C => 4C/min => 230C (10min) | 35C (2min) => 40C/min => 60C (2min) => 6C/min => 230C (10min) |
| I | 1612. | 1633. | 1622. | 1614. | 1621. |
| Reference | Tairu, Hofmann, et al., 2000 | Zimmermann and Schieberle, 2000 | Buettner and Schieberle, 1999 | Derail, Hofmann, et al., 1999 | Kubícková and Grosch, 1997 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary |
|---|---|---|
| Active phase | FFAP | FFAP |
| Column length (m) | 30. | 50. |
| Carrier gas | He | He |
| Substrate | ||
| Column diameter (mm) | 0.32 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 |
| Program | 40C (2min) => 40C/min => 60C (2min) => 240C (10min) | 20C (5min) => 2C/min => 70C => 4C/min => 210C |
| I | 1612. | 1640. |
| Reference | Münch, Hofmann, et al., 1997 | Yasuhara, 1987 |
| Comment | MSDC-RI | MSDC-RI |
References
Go To: Top, Van Den Dool and Kratz RI, 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.
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,
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Analytical Characterization of the Aroma of Five Premium Red Wines. Insights into the Role of Odor Families and the Concept of Fruitiness of Wines,
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Frauendorfer and Schieberle, 2006
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Identification of the key aroma compounds in Cocoa powder based on molecular sensoly correlations,
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Fritsch and Schieberle, 2005
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Characterization of ( E, E, Z)-2,4,6-Nonatrienal as a character impact aroma compound of oat flakes,
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Verzera, Ziino, et al., 2004
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Boido, E.; Lloret, A.; Medina, K.; Fariña, L.; Carrau, f.; Versini, G.; Dellacassa, E.,
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Huynh-Ba, Matthey-Doret, et al., 2003
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Klesk and Qian, 2003
Klesk, K.; Qian, M.,
Aroma extract dilution analysis of Cv. Marion (Rubus spp. hyb) and Cv. Evergreen (R. Iaciniatus L.) blackberries,
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Fuhrmann and Grosch, 2002
Fuhrmann, E.; Grosch, W.,
Character impact odorants of the apple cultivars Elstar and Cox Orange,
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Jezussek, Juliano, et al., 2002
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Comparison of key aroma compounds in cooked brown rice varieties based on aroma extract dilution analysis,
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Kirchhoff and Schieberle, 2002
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Quantitation of odor-active compounds in rye flour and rye sourdough using stable isotope dilution assays,
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Rhlid, Fleury, et al., 2002
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Zehentbauer and Reineccius, 2002
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Determination of key aroma components of cheddar cheese using dynamic headspace dilution assay,
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Boulanger and Crouzet, 2001
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Identification of the aroma components of acerola (Malphigia glabra L.): free and bound flavor compounds,
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Cantergiani, Brevard, et al., 2001
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Characterisation of the aroma of green Mexican coffee and identification of mouldy/earthy defect,
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Kirchhoff and Schieberle, 2001
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Determination of key aroma compounds in the crumb of a three-stage sourdough rye bread by stable isotope dilution assays and sensory studies,
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Rychlik and Bosset, 2001
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Flavour and off-flavour compoundsof SwissGruy ere cheese. Evaluation of potent odorants,
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Ziegleder, 2001
Ziegleder, G.,
Odorous compounds in paperboard as influenced by recycled material and storage,
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Boulanger and Crouzet, 2000
Boulanger, R.; Crouzet, J.,
Free and bound flavour components of Amazonian fruits: 2. cupuacu volatile compounds,
Flavour Fragr. J., 2000, 15, 4, 251-257, https://doi.org/10.1002/1099-1026(200007/08)15:4<251::AID-FFJ905>3.0.CO;2-2
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Boulanger and Crouzet, 2000, 2
Boulanger, R.; Crouzet, J.,
Free and bound flavour components of Amazonian fruits: 3-glycosidically bound components of cupuacu,
Food Chem., 2000, 70, 4, 463-470, https://doi.org/10.1016/S0308-8146(00)00112-6
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Munk, Munch, et al., 2000
Munk, S.; Munch, P.; Stahnke, L.; Adler-Nissen., J.; Schieberle, P.,
Primary odorants of laundry soiled with sweat/sebum: influence of lipase on the odor profile,
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Tairu, Hofmann, et al., 2000
Tairu, A.O.; Hofmann, T.; Schieberle, P.,
Studies on the key odorants formed by roasting of wild mango seeds (Irvingia gabonensis),
J. Agric. Food Chem., 2000, 48, 6, 2391-2394, https://doi.org/10.1021/jf990765u
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Zimmermann and Schieberle, 2000
Zimmermann, M.; Schieberle, P.,
Important odorants of sweet bell pepper powder (Capsicum annuum cv. annuum): differences between samples of Hungarian and Morrocan origin,
Eur. Food Res. Technol., 2000, 211, 3, 175-180, https://doi.org/10.1007/s002170050019
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Buettner and Schieberle, 1999
Buettner, A.; Schieberle, P.,
Characterization of the most odor-active volatiles in fresh, hand squeezed juice of grapefruit (Citrus paradise Macfayden),
J. Agric. Food Chem., 1999, 47, 12, 5189-5193, https://doi.org/10.1021/jf990071l
. [all data]
Derail, Hofmann, et al., 1999
Derail, C.; Hofmann, T.; Schieberle, P.,
Differences in key odorants of handmade juice of yellow-flesh peaches (Prunus persica L.) induced by the workup procedure,
J. Agric. Food Chem., 1999, 47, 11, 4742-4745, https://doi.org/10.1021/jf990459g
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Kubícková and Grosch, 1997
Kubícková, J.; Grosch, W.,
Evaluation of potent odorants of camembert cheese by dilution and concentration techniques,
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Münch, Hofmann, et al., 1997
Münch, P.; Hofmann, T.; Schieberle, P.,
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Yasuhara, 1987
Yasuhara, A.,
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. [all data]
Notes
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- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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