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, 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 | EC-1000 | DB-Wax | Carbowax 20M | DB-Wax | DB-Wax |
Column length (m) | 60. | 30. | 30. | ||
Carrier gas | Helium | Helium | Helium | ||
Substrate | |||||
Column diameter (mm) | 0.20 | 0.25 | 0.25 | ||
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | ||
Program | not specified | 40 0C (3 min) 2 0C/min -> 150 0C 4 0C/min -> 220 0C (20 min) 5 0C/min -> 230 0C | not specified | not specified | not specified |
I | 1630. | 1625. | 1633. | 1630. | 1642. |
Reference | Delabre and Bendall, 9999 | Gyawali and Kim, 2012 | Lee, Chong, et al., 2012 | Welke, Manfroi, et al., 2012 | Welke, Manfroi, et al., 2012 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-Wax | SOLGel-Wax | SOLGel-Wax | SOLGel-Wax | CP-Wax 52 CB |
Column length (m) | 30. | 30. | 30. | 30. | |
Carrier gas | Helium | Helium | Helium | Helium | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | |
Program | not specified | 40 0C (2 min) 5 0C/min -> 140 0C 10 0C/min -> 250 0C (3 min) | 40 0C (2 min) 5 0C/min -> 140 0C 10 0C/min -> 250 0C (3 min) | not specified | not specified |
I | 1651. | 1636. | 1636. | 1620. | 1635. |
Reference | Welke, Manfroi, et al., 2012 | Johanningsmeier and McFeeters, 2011 | Johanningsmeier and McFeeters, 2011 | Johanningsmeier and McFeeters, 2011 | Povolo, Cabassi, et al., 2011 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP-Innowax | DB-Wax | DB-Wax | Stabilwax | DB-Wax |
Column length (m) | 60. | 30. | 30. | 30. | |
Carrier gas | Helium | Hydrogen | Helium | ||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.32 | 0.25 | 0.32 | |
Phase thickness (μm) | 0.25 | 0.50 | 0.25 | 0.50 | |
Program | 40 0C (2 min) 3 0C/min -> 150 0C 5 0C/min -> 220 0C (5 min) | not specified | 40 0C (5 min) 4 0C/min -> 100 0C 6 0C/min -> 220 0C (20 min) | 35 0C 3 0C/min -> 100 0C 5 0C/min -> 240 0C (10 min) | 40 0C (5 min) 4 0C/min -> 100 0C 6 0C/min -> 220 0C (40 min) |
I | 1652. | 1589. | 1641. | 1627. | 1641. |
Reference | Xiao, Dai, et al., 2011 | Parker, Tsormpatsidis, et al., 2010 | San-Juan, Petka, et al., 2010 | Chinnici, Guerrero, et al., 2009 | Ferreira, Juan, et al., 2009 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | Polyethylene glycol (Free Fatty Acid Phase) | Polyethylene glycol (Free Fatty Acid Phase) | Polyethylene glycol (Free Fatty Acid Phase) | FFAP | SOLGel-Wax |
Column length (m) | 30. | 30. | 30. | 30. | |
Carrier gas | Helium | Helium | |||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.53 | |
Phase thickness (μm) | 0.50 | ||||
Program | not specified | not specified | not specified | not specified | 40 0C 7 0C/min -> 180 0C 10 0C/min -> 240 0C (10 min) |
I | 1620. | 1623. | 1625. | 1605. | 1622. |
Reference | Harraca, Syed, et al., 2009 | Harraca, Syed, et al., 2009 | Harraca, Syed, et al., 2009 | Frauendorfer and Schieberle, 2008 | Shu and Shen, 2008 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | SOLGel-Wax | DB-Wax | PEG 20M | Supelcowax-10 | DB-FFAP |
Column length (m) | 30. | 30. | 30. | 30. | 30. |
Carrier gas | Helium | Helium | Helium | He | |
Substrate | |||||
Column diameter (mm) | 0.53 | 0.32 | 0.25 | 0.25 | 0.32 |
Phase thickness (μm) | 0.50 | 0.25 | 0.25 | 0.25 | 0.25 |
Program | not specified | 50 0C 20 0C/min -> 80 0C 3 0C/min -> 230 0C | 40 0C (3 min) 5 0C/min -> 60 0C 6 0C/min -> 130 0C 10 0C/min -> 230 0C | 35C(8min) => 6C/min => 60C => 4C/min => 160C => 20C/min => 200C(1min) | 40C(2min) => 40C/min => 60C(2min) => 6C/min => 180C => 15C/min => 230C(10min) |
I | 1618. | 1618. | 1634. | 1630. | 1619. |
Reference | Shu and Shen, 2008 | Tao, Wenlai, et al., 2008 | Zhang, Zhang, et al., 2008 | Berard, Bianchi, et al., 2007 | Buettner, 2007 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | Carbowax 20M | DB-Wax | DB-Wax | DB-FFAP | DB-FFAP |
Column length (m) | 30. | 30. | 30. | 30. | |
Carrier gas | Hydrogen | Hydrogen | He | ||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.32 | 0.32 | |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | |
Program | not specified | 44 0C 3 0C/min -> 170 0C 8 0C/min -> 250 0C | not specified | 40C(1min) => 7C/min => 180C => 10C/min => 240C (10min) | 35C(2min) => 40C/min => 50C(2min) => 6C/min => 180C => 10C/min => 230C(10min) |
I | 1588. | 1634. | 1611. | 1619. | 1619. |
Reference | Dury-Brun, Fournier, et al., 2007 | Gonzalez-Rios, Suarez-Quiroz, et al., 2007 | Gonzalez-Rios, Suarez-Quiroz, et al., 2007 | Greger and Schieberle, 2007 | Lasekan, Buettner, et al., 2007 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-Wax Etr | DB-Wax | DB-Wax | HP-Innowax | PEG-20M |
Column length (m) | 60. | 30. | 30. | 30. | 30. |
Carrier gas | He | Hydrogen | He | He | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.32 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 0.5 | 0.50 | 0.25 | 0.5 | 0.25 |
Program | 40C(3min) => 10C/min => 90C => 2C/min => 230C (37min) | 60 0C (3 min) 2 0C/min -> 220 0C 3 0C/min -> 245 0C (20 min) | 50 0C (2 min) 6 0C/min -> 150 0C 8 0C/min -> 230 0C (15 min) | 30C(2min) => 4C/min => 130C => 8C/min => 250C(5min) | 40C(3min) => 5C/min => 60C => 6C/min => 130C => 10C/min => 230C (10min) |
I | 1627. | 1602. | 1623. | 1659. | 1634. |
Reference | Loskos, Hernandez-Orte, et al., 2007 | Selli, 2007 | Tian, Zhang, et al., 2007 | Weldegergis B.T., Tredoux A.G.J., et al., 2007 | Zhang C., Zhang H., et al., 2007 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-Wax | Carbowax 20M | Carbowax 20M | DB-Wax | CP-Wax 58CB |
Column length (m) | 30. | 30. | 25. | ||
Carrier gas | He | He | Helium | ||
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.32 | ||
Phase thickness (μm) | 0.25 | 0.25 | 0.20 | ||
Program | 45C(5min) => 5C/min => 150C => 10C/min => 240C (10min) | not specified | not specified | 40 0C (2 min) 6 K/min -> 190 0C 12 K/min -> 240 0C | 40 0C (2 min) 40 0C/min -> 60 0C (1 min) 6 0C/min -> 180 0C 10 0C/min -> 240 0C (5 min) |
I | 1633. | 1599. | 1600. | 1621. | 1610. |
Reference | Krings, Zelena, et al., 2006 | Editorial paper, 2005 | Editorial paper, 2005 | Steinhaus and Schieberle, 2005 | Tokitomo, Steihaus, et al., 2005 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-FFAP | FFAP | DB-Wax | DB-Wax | Carbowax 20M |
Column length (m) | 30. | 30. | 60. | ||
Carrier gas | He | He | Helium | ||
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.25 | ||
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | ||
Program | 40C(2min) => 40C/min => 60C(2min) => 6C/min => 180C => 15C/min => 230C (10min) | 35C(1min) => 60C/min => 60C => 6C/min => 230C | not specified | 60 0C (3 min) 2 0C/min -> 150 0C 4 0C/min -> 200 0C | not specified |
I | 1619. | 1633. | 1646. | 1627. | 1653. |
Reference | Buettner, 2004 | Didzbalis, Ritter, et al., 2004 | Escudero, Gogorza, et al., 2004 | Kim. J.H., Ahn, et al., 2004 | Vinogradov, 2004 |
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 | TRWAX | Nukol |
Column length (m) | 30. | 30. | 60. | 25. | |
Carrier gas | He | Helium | He | N2 | |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.25 | 0.25 | |
Phase thickness (μm) | 0.5 | 0.25 | 0.25 | ||
Program | not specified | 60C(2min) => 2C/min => 220C => 3C/min => 245C(20min) | 50 0C (2 min) 6 0C/min -> 180 0C 10 0C/min -> 180 0C (10 min) | not specified | 45C(5min) => 20C/min => 100C(1min) => 3C/min => 190C(40min) |
I | 1627. | 1596. | 1625. | 1660. | 1639. |
Reference | Peterson and Reineccius, 2003 | Selli, Cabaroglu, et al., 2003 | Bel Rhild, Fleury, et al., 2002 | Torrens, 2002 | López and Dufour, 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 | FFAP | FFAP |
Column length (m) | 30. | 30. | 30. | 30. | 25. |
Carrier gas | 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 | 50C(4min) => 4C/min => 130C => 1C/min => 190C => 4C/min => 220C(20min) | 50C(4min) => 4C/min => 130C => 1C/min => 190C => 4C/min => 220C(20min) | 25 0C (0.5 min) 50 K/min -> 50 0C 3.5 K/min -> 150 0C 7.5 K/min -> 240 0C | not specified | 35C(2min) => 40C/min => 60C(2min) => 6C/min => 230C |
I | 1627. | 1629. | 1628. | 1620. | 1609. |
Reference | Mayorga, Knapp, et al., 2001 | Mayorga, Knapp, et al., 2001 | Miranda, Nogueira, et al., 2001 | Lambert, Demazeau, et al., 1999 | Zehentbauer and Grosch, 1998 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-Wax | DB-FFAP | DB-FFAP | FFAP | FFAP |
Column length (m) | 60. | 30. | 30. | 30. | 30. |
Carrier gas | He | He | 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 | ||
Program | 45C(4min) => 30C/min => 60C (5min) => 3C/min => 220C(40min) | 35C (1min) => 40C/min => 60C (1min) => 6C/min => 250C (10min) | 35C => 40C/min => 60C (1min) => 6C/min => 250C | 35C (2min) => 40C/min => 60C (2min) => 6C/min => 180C => 10C/min => 240C | 35C (2min) => 40C/min => 60C (2min) => 6C/min => 180C => 10C/min => 240C |
I | 1627. | 1613. | 1652. | 1610. | 1610. |
Reference | Ziegleder, 1998 | Guth, 1997 | Lizárraga-Guerra, Guth, et al., 1997 | Schermann and Schieberle, 1997 | Schermann and Schieberle, 1997 |
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 | DB-Wax |
Column length (m) | 30. | ||||
Carrier gas | He | ||||
Substrate | |||||
Column diameter (mm) | 0.32 | ||||
Phase thickness (μm) | |||||
Program | not specified | 35C => 40C/min => 60C(2min) => 4C/min => 240C | not specified | not specified | not specified |
I | 1613. | 1623. | 1613. | 1600. | 1614. |
Reference | Guth and Grosch, 1994 | Schieberle and Grosch, 1994 | Guth and Grosch, 1993 | Peng, Yang, et al., 1991 | Peng, Yang, et al., 1991 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary |
---|---|
Active phase | Carbowax 400, Carbowax 20M, Carbowax 1540, Carbowax 4000, Superox 06, PEG 20M, etc. |
Column length (m) | 50. |
Carrier gas | Hydrogen |
Substrate | |
Column diameter (mm) | 0.32 |
Phase thickness (μm) | |
Program | not specified |
I | 1581. |
Reference | Waggott and Davies, 1984 |
Comment | MSDC-RI |
References
Go To: Top, Normal alkane 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.
Delabre and Bendall, 9999
Delabre, M.-L.; Bendall, J.F.,
Flavour ingredients from fermented dairy streams,
Expression of Multidisciplinary Flavour Sci., 9999, 375-378. [all data]
Gyawali and Kim, 2012
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Bioactive volatile compounds of three medicinal plants from Nepal,
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Lee, Chong, et al., 2012
Lee, P.-R.; Chong, I.S.-M.; Yu, B.; Curran, P.; Liu, S.-Q.,
Effect of precursors on volatile compounds in Papaya wine fermented by mixed yeasts,
Uncorrected proof, 2012, 000-000. [all data]
Welke, Manfroi, et al., 2012
Welke, J.E.; Manfroi, V.; Zanus, M.; Lazarotto, M.; Zini, C.A.,
Characterization of the volatile profile of Brazilian merlot wines through comprehensive two dimensional gas chromatography time-of-flight mass spectrometric detection,
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Johanningsmeier and McFeeters, 2011
Johanningsmeier, S.D.; McFeeters, R.F.,
Detection of volatile spoilage metabolites in fermented cucumbers using nontargeted, comprehensive 2-dimensional gas chromatography-time-of-flight mass spectrometry (GCxGCxTOFMS),
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Povolo, Cabassi, et al., 2011
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Study on the use of evolved gas analysis FT-IR (EGA FT-IR) for the evaluation of cheese volatile fraction,
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Xiao, Dai, et al., 2011
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Discrimination of Chinese vinegars based on headspace solid-phase microextraction - gas chromatography mass spectrometry of volatile compounds and multivariate analysis,
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Parker, Tsormpatsidis, et al., 2010
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Solid-phase extraction as a routine method for comparing key aroma compounds in fruits
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San-Juan, Petka, et al., 2010
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Producing headspace extracts for the gas chromatography - olphactometric evaluation of wine aroma,
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Gas chromatography - mass spectrometry (GC-MS) characterization of volatile compounds in quality vinegars with protected Europian geographical indication,
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Ferreira, Juan, et al., 2009
Ferreira, V.; Juan, F.S.; Escudero, A.; Cullere, L.; Fernandez-Zurbano, P.; Saenz-Navajas, M.P.; Cacho, J.,
Modeling quality of premium Spanish red wines from gas chromatography-olfactometry data,
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Harraca, Syed, et al., 2009
Harraca, V.; Syed, Z.; Guerin, P.M.,
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Frauendorfer and Schieberle, 2008
Frauendorfer, F.; Schieberle, P.,
Changes in key aroma compounds of criollo cocoa beans during roasting,
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Shu and Shen, 2008
Shu, N.; Shen, H.,
Aroma-impact compounds in Lysimachia foenum-graecum extracts,
Flavour Fragr. J., 2008, 24, 1, 1-6, https://doi.org/10.1002/ffj.1908
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Tao, Wenlai, et al., 2008
Tao, L.; Wenlai, F.; Yan, X.,
Characterization of volatile and semi-volatile compounds in Chinese rica wines by headspace solid phase microextraction followed by gas chromatography - mass spectrometry,
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Zhang, Zhang, et al., 2008
Zhang, C.; Zhang, H.; Wang, L.; Guo, X.,
Effect of carrot (Daucus carota) antifreeze proteins on texture preperties of frozen dough and volatile compounds of crumb,
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Berard, Bianchi, et al., 2007
Berard, J.; Bianchi, F.; Careri, M.; Chatel, A.; Mangia, A.; Musci, M.,
Characterization of the volatile fraction and of free fatty acids of Fontina Valle d'Aosta, a protected designation of origin Italian cheese,
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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,
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Dury-Brun, Fournier, et al., 2007
Dury-Brun, C.; Fournier, N.; Pernin, K.; Guichard, E.; Voilley, A.,
A new approach to studying sponge cake aroma after storage in treated paper and plastic packaging by direct gas chromatography?olfactometry (D-GC-O),
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Gonzalez-Rios, Suarez-Quiroz, et al., 2007
Gonzalez-Rios, O.; Suarez-Quiroz, M.L.; Boulanger, R.; Barel, M.; Guyot, B.; Guiraud, J.-P.; Schorr-Galindo, S.,
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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,
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Lasekan, Buettner, et al., 2007
Lasekan, O.; Buettner, A.; Christlbauer, M.,
Investigation of important odorants of palm wine (Elaeis guineensis),
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Loskos, Hernandez-Orte, et al., 2007
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Release and formation of varietal aroma compounds during alcoholic fermentation from nonfloral grape odorless flavor precursors fractions,
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Selli, 2007
Selli, S.,
Volatile constituents of orange obtained from moro oranges (Citrus Sinensis L. Osbeck),
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Tian, Zhang, et al., 2007
Tian, Y.; Zhang, X.; Huang, T.; Zou, K.; Zhou, J.,
Research advances on the essential oils from leaves of Eucalyptus,
Food Fermentation Ind. (Chinese), 2007, 33, 10, 143-147. [all data]
Weldegergis B.T., Tredoux A.G.J., et al., 2007
Weldegergis B.T.; Tredoux A.G.J.; Crouch A.M.,
Application of a headspace sorptive extraction method for the analysis of volatile components in South African wines,
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. [all data]
Zhang C., Zhang H., et al., 2007
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Improvement of texture properties and flavor of frozen dough by carrot (Daucus carota) antifreeze protein supplementation,
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Notes
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