Butanal, 3-methyl-
- Formula: C5H10O
- Molecular weight: 86.1323
- IUPAC Standard InChIKey: YGHRJJRRZDOVPD-UHFFFAOYSA-N
- CAS Registry Number: 590-86-3
- 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: Isovaleraldehyde; β-Methylbutanal; Isopentanal; Isovaleral; Isovaleric aldehyde; Isovalerylaldehyde; 3-Methylbutan-1-al; 3-Methylbutanal; 3-Methylbutyraldehyde; iso-C4H9CHO; Butyraldehyde, 3-methyl-; Isoamylaldehyde; Isopentaldehyde; 1-Butanal, 3-methyl-; 2-Methylbutanal-4; 3-Methyl-1-butanal; NSC 404119
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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 | DB-Wax | DB-Wax | DB-Wax | DB-Wax | HP-Innowax |
Column length (m) | 60. | 30. | 30. | 30. | 60. |
Carrier gas | Helium | Helium | Helium | Helium | Helium |
Substrate | |||||
Column diameter (mm) | 0.20 | 0.25 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Program | 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 | not specified |
I | 896. | 905. | 914. | 915. | 918. |
Reference | Gyawali and Kim, 2012 | Welke, Manfroi, et al., 2012 | Welke, Manfroi, et al., 2012 | Welke, Manfroi, et al., 2012 | Feng, Zhuang, et al., 2011 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | SOLGel-Wax | SOLGel-Wax | HP-Innowax | Innowax FSC | DB-Wax |
Column length (m) | 30. | 30. | 60. | 60. | 60. |
Carrier gas | Helium | Helium | Helium | Helium | Helium |
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 |
Program | 40 0C (2 min) 5 0C/min -> 140 0C 10 0C/min -> 250 0C (3 min) | not specified | 40 0C (2 min) 3 0C/min -> 150 0C 5 0C/min -> 220 0C (5 min) | 60 0C (10 min) 4 0C/min -> 220 0C (10 min) 1 0C/min -> 240 0C | 40 0C (3 min) 2 0C/min -> 150 0C 4 0C/min -> 220 0C (20 min) |
I | 918. | 917. | 925. | 931. | 895. |
Reference | Johanningsmeier and McFeeters, 2011 | Johanningsmeier and McFeeters, 2011 | Xiao, Dai, et al., 2011 | Baser, Demirci, et al., 2009 | Gyawali and Kim, 2009 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-Wax | CP-Wax 52 CB | FFAP | Supelcowax 10 | Supelcowax 10 |
Column length (m) | 30. | 60. | 50. | 50. | |
Carrier gas | Helium | 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 | 45 0C (5 min) 3 0C/min -> 150 0C 10 0C/min -> 240 0C | not specified | 45 0C (15 min) 3 0C/min -> 75 0C 5 0C/min -> 180 0C (10 min) | 45 0C (15 min) 3 0C/min -> 75 0C 5 0C/min -> 180 0C (10 min) |
I | 910. | 922. | 900. | 897. | 900. |
Reference | Rochat, Egger, et al., 2009 | Romeo, Verzera, et al., 2009 | Frauendorfer and Schieberle, 2008 | Soria, Martinez-Castro, et al., 2008 | Soria, Martinez-Castro, et al., 2008 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | PEG 20M | Supelcowax-10 | Supelcowax-10 | HP-FFAP | Carbowax 20M |
Column length (m) | 30. | 30. | 30. | 30. | |
Carrier gas | Helium | He | He | ||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.32 | |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | |
Program | 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) | 35C(8min) => 6C/min => 60C => 4C/min => 160C => 20C/min => 200C(1min) | 35 0C (10 min) 10 0C/min -> 150 0C 20 0C/min -> 250 0C (10 min) | not specified |
I | 929. | 917. | 920. | 931. | 912. |
Reference | Zhang, Zhang, et al., 2008 | Berard, Bianchi, et al., 2007 | Berard, Bianchi, et al., 2007 | Carrapiso and Garsia, 2007 | Dury-Brun, Fournier, 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 | DB-Wax | DB-FFAP | HP-Innowax | HP-Innowax |
Column length (m) | 30. | 30. | 30. | 30. | 30. |
Carrier gas | Hydrogen | Hydrogen | He | He | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.32 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Program | 44 0C 3 0C/min -> 170 0C 8 0C/min -> 250 0C | not specified | 35C(2min) => 40C/min => 50C(2min) => 6C/min => 180C => 10C/min => 230C(10min) | 30C(5min) => 7C/min => 100C(5min) => 1C/min => 130C => 10C/min => 195C(45min) | 30C(5min) => 7C/min => 100C(5min) => 1C/min => 130C => 10C/min => 195C(45min) |
I | 916. | 910. | 927. | 909. | 910. |
Reference | Gonzalez-Rios, Suarez-Quiroz, et al., 2007 | Gonzalez-Rios, Suarez-Quiroz, et al., 2007 | Lasekan, Buettner, et al., 2007 | Narain, Galvao, et al., 2007 | Narain, Galvao, et al., 2007 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP-Innowax | HP-Innowax | PEG-20M | DB-Wax | Supelcowax-10 |
Column length (m) | 60. | 60. | 30. | 60. | 60. |
Carrier gas | Helium | Helium | He | He | |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.25 | 0.2 | 0.32 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Program | 40 0C (5 min) 4 0C/min -> 60 0C (5 min) 8 0C/min -> 250 0C (3 min) | not specified | 40C(3min) => 5C/min => 60C => 6C/min => 130C => 10C/min => 230C (10min) | 40C(3min) => 2C/min => 150C => 4C/min => 220C(20min) => 5C/min => 230C | 35C(3min) => 5C/min => 110C => 10C/min => 240C (10min) |
I | 912. | 906. | 929. | 902. | 938. |
Reference | Viegas and Bassoli, 2007 | Viegas and Bassoli, 2007 | Zhang C., Zhang H., et al., 2007 | Gyawalia, Seo, et al., 2006 | Kourkoutas, Bosnea, et al., 2006 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP-Innowax | TC-Wax | Innowax FSC | DB-FFAP | Innowax |
Column length (m) | 60. | 60. | 30. | ||
Carrier gas | Nitrogen | He | He | ||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.32 | ||
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | ||
Program | 50 0C (4 min) -> 40 0C 4 0C/min -> 220 0C | not specified | 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C | 40C(2min) => 40C/min => 60C(2min) => 6C/min => 180C => 15C/min => 230C (10min) | not specified |
I | 902. | 923. | 931. | 913. | 936. |
Reference | Quijano and Pino, 2006 | Kraft and Switt, 2005 | Baser, Özek, et al., 2004 | Buettner, 2004 | Junkes, Amboni, et al., 2004 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-Wax | TC-Wax | Carbowax 20M | HP-Innowax FSC | DB-Wax |
Column length (m) | 60. | 60. | 60. | ||
Carrier gas | Helium | He | He | ||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.32 | ||
Phase thickness (μm) | 0.25 | 0.25 | 0.5 | ||
Program | 60 0C (3 min) 2 0C/min -> 150 0C 4 0C/min -> 200 0C | not specified | not specified | 60C (10min) => 4C/min => 220C (10min) => 1C/min => 240C | 35C(4min) => 2C/min => 130C => 4C/min => 250C |
I | 919. | 923. | 937. | 931. | 912. |
Reference | Kim. J.H., Ahn, et al., 2004 | Tachihara, Ishizaki, et al., 2004 | Vinogradov, 2004 | Demirci, Baser, et al., 2003 | Qian and Reineccius, 2003 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | FFAP | CP-Wax 52CB | FFAP | FFAP | FFAP |
Column length (m) | 30. | 50. | 30. | 25. | 25. |
Carrier gas | He | He | He | ||
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.32 | 0.32 | 0.32 |
Phase thickness (μm) | 0.25 | 1.2 | 0.25 | 0.3 | 0.25 |
Program | 35C (2min) => 40C/min => 60C (2min) => 6C/min => 180C => 10C/min => 230C (10min) | 40C(10min) => 3C/min => 190C => 10C/min => 250C(5min) | 35C(1min) => 40C/min => 60C (1min) => 6C/min => 230C | 35C (2min) => 40C/min => 60C(1min) => 6C/min => 230C | 35C(2min) => 40C/min => 60C(2min) => 6C/min => 230C |
I | 913. | 926. | 927. | 913. | 936. |
Reference | Buettner and Schieberle, 2001 | Muresan, Eillebrecht, et al., 2000 | Matsui, Guth, et al., 1998 | Reiners and Grosch, 1998 | Zehentbauer and Grosch, 1998 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | FFAP | FFAP | Supelcowax 10 | Supelcowax 10 | Supelcowax 10 |
Column length (m) | 30. | 30. | 60. | 60. | 60. |
Carrier gas | He | He | Helium | Helium | Helium |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Program | 35C (2min) => 40C/min => 60C (2min) => 6C/min => 180C => 10C/min => 240C | 35C (2min) => 40C/min => 60C (2min) => 6C/min => 180C => 10C/min => 240C | 60 0C (10 min) 2 0C/min -> 80 0C 3 0C/min -> 100 0C 4 0C/min -> 220 0C (30 min) | not specified | not specified |
I | 920. | 920. | 917. | 920. | 921. |
Reference | Schermann and Schieberle, 1997 | Schermann and Schieberle, 1997 | Castioni and Kapetanidis, 1996 | Castioni and Kapetanidis, 1996 | Castioni and Kapetanidis, 1996 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | Supelcowax-10 | Supelcowax-10 | DB-Wax | FFAP | DB-Wax |
Column length (m) | 30. | 30. | 30. | ||
Carrier gas | He | He | He | ||
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.25 | ||
Phase thickness (μm) | 0.25 | 0.5 | |||
Program | 50C(2min) => 7C/min => 140C => 17.5C/min => 230C | 35C => 40C/min => 60C(2min) => 4C/min => 240C | 35C => 40C/min => 50C(2min) => 6C/min => 200C | not specified | not specified |
I | 937. | 915. | 918. | 950. | 928. |
Reference | Chang, Seitz, et al., 1995 | Schieberle and Grosch, 1994 | Milo and Grosch, 1993 | Blank, Sen, et al., 1992 | Peng, Yang, et al., 1991 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | 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.
Gyawali and Kim, 2012
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Bioactive volatile compounds of three medicinal plants from Nepal,
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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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Analysis of volatile compounds of Mesona Blumes gum/rice extrudates via GC-MS and electronic nose,
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Viegas, M.C.; Bassoli, D.G.,
Utilizacao do indice de retencao linear para caracterizacao de compostos volateis em cafe soluvel utilizando GC-MS e coluna HP-Innowax,
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Investigation of potent odorants and afterodor development in two chardonnay wines using the Buccal Odor Screening System (BOSS),
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Color, flavor, and sensory characteristics of gamma-irradiated salted and fermented anchovy sauce,
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Studies on the volatile compounds of roasted spotted shrimp,
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Vinogradov, 2004
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Composition of the essential oils of six endemic Salvia spp. from Turkey,
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Potent aroma compounds in Parmigiano Reggiano cheese studied using a dynamic headspace (purge-trap) method,
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Buettner and Schieberle, 2001
Buettner, A.; Schieberle, P.,
Application of a comparative aroma extract dilution analysis to monitor changes in orange juice aroma compounds during processing,
Am. Chem. Soc. Symp. Ser., 2001, 782, 33-45. [all data]
Muresan, Eillebrecht, et al., 2000
Muresan, S.; Eillebrecht, M.A.J.L.; de Rijk, T.C.; de Jonge, H.G.; Leguijt, T.; Nijhuis, H.H.,
Aroma profile development of intermediate chocolate products. I. Volatile constituents of block-milk,
Food Chem., 2000, 68, 2, 167-174, https://doi.org/10.1016/S0308-8146(99)00171-5
. [all data]
Matsui, Guth, et al., 1998
Matsui, T.; Guth, H.; Grosch, W.,
A comparative study of potent odorants in peanut, hazelnut, and pumpkin seed oils on the basis of aroma extract dilution analysis (AEDA) and gas chromatography-olfactometry of headspace samples (GCOH),
Lipid - Fett, 1998, 100, 2, 51-56, https://doi.org/10.1002/(SICI)1521-4133(199802)100:2<51::AID-LIPI51>3.0.CO;2-W
. [all data]
Reiners and Grosch, 1998
Reiners, J.; Grosch, W.,
Odorants of virgin olive oils with different flavor profiles,
J. Agric. Food Chem., 1998, 46, 7, 2754-2763, https://doi.org/10.1021/jf970940b
. [all data]
Zehentbauer and Grosch, 1998
Zehentbauer, G.; Grosch, W.,
Crust aroma of baguettes. I. Key odorants of baguettes prepared in two different ways,
J. Cereal Science, 1998, 28, 1, 81-92, https://doi.org/10.1006/jcrs.1998.0184
. [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]
Castioni and Kapetanidis, 1996
Castioni, P.; Kapetanidis, I.,
Volatile constituents from Brunfelsia grandiflora ssp. grandiflora: qualitative analysis by GC-MS,
Scientia Pharmaceutica, 1996, 64, 83-91. [all data]
Chang, Seitz, et al., 1995
Chang, C.-Y.; Seitz, L.M.; Chambers, E., IV,
Volatile Flavor Components of Breads Made from Hard Red Winter Wheat and Hard White Winter Wheat,
Cereal Chem., 1995, 72, 3, 237-242. [all data]
Schieberle and Grosch, 1994
Schieberle, P.; Grosch, W.,
Potent odorants of rye bread crust - differences from the crumb and from wheat bread crust,
Z. Lebensm. Unters. Forsch., 1994, 198, 4, 292-296, https://doi.org/10.1007/BF01193177
. [all data]
Milo and Grosch, 1993
Milo, C.; Grosch, W.,
Changes in the odorants of boiled trout (Salmo fario) as affected by the storage of the raw material,
J. Agric. Food Chem., 1993, 41, 11, 2076-2081, https://doi.org/10.1021/jf00035a048
. [all data]
Blank, Sen, et al., 1992
Blank, I.; Sen, A.; Grosch, W.,
Potent odorants of the roasted powder and brew of Arabica coffee,
Z. Lebensm. Unters Forsch., 1992, 195, 3, 239-245, https://doi.org/10.1007/BF01202802
. [all data]
Peng, Yang, et al., 1991
Peng, C.T.; Yang, Z.C.; Ding, S.F.,
Prediction of rentention idexes. II. Structure-retention index relationship on polar columns,
J. Chromatogr., 1991, 586, 1, 85-112, https://doi.org/10.1016/0021-9673(91)80028-F
. [all data]
Notes
Go To: Top, Normal alkane RI, polar column, custom temperature program, References
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