Butanal, 2-methyl-
- Formula: C5H10O
- Molecular weight: 86.1323
- IUPAC Standard InChIKey: BYGQBDHUGHBGMD-UHFFFAOYSA-N
- CAS Registry Number: 96-17-3
- 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. - Species with the same structure:
- Stereoisomers:
- Other names: Butyraldehyde, 2-methyl-; α-Methylbutanal; α-Methylbutyraldehyde; α-Methylbutyric aldehyde; Methylethylacetaldehyde; 2-Formylbutane; 2-Methylbutanal; 2-Methylbutyraldehyde; 2-Methylbutyric aldehyde; sec-C4H9CHO; Acetaldehyde, ethylmethyl-; 2-Methyl-1-butanal; (.+/-.)-2-Methylbutanal; 2-Ethylpropanal; NSC 77077
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Van Den Dool and Kratz RI, non-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 | SE-54 | HP-5MS | BPX-5 | HP-5 | DB-5 |
Column length (m) | 25. | 30. | 50. | 50. | 25. |
Carrier gas | He | He | He | He | |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.25 | 0.25 | 0.32 | 0.32 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 1.05 | 0.25 |
Program | 40C(1min) => 40C/min => 60C(1min) => 4C/min => 140C => 20C/min => 240C(5min) | 5C(8min) => 3C/min => 20C => 10C/min => 150C(10min) | 0C (5min) => 40C/min => 40C (2min) => 4C/min => 280C | 35C(5min) => 10C/min => 150C => 20C/min => 250C(10 min) | 35C (2min) => 40C/min => 50C (2min) => 4C/min => 240C (10min) |
I | 651. | 662. | 635. | 668. | 652. |
Reference | Frauendorfer and Schieberle, 2006 | Bonaiti, Irlinger, et al., 2005 | Byrne, Bredie, et al., 2002 | Carrapiso, Ventanas, et al., 2002 | Kirchhoff and Schieberle, 2002 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-5 | CP Sil 8 CB | DB-5 | DB-5 | CP Sil 8 CB |
Column length (m) | 25. | 60. | 30. | 30. | 60. |
Carrier gas | He | He | He | He | |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.25 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Program | 35C (2min) => 40C/min => 50C (2min) => 4C/min => 240C (10min) | 0C => rapidly => 40C(8min) => 4C/min => 250C(10min) | 35 C (2 min) 40 C/min -> 50 C (2 min) 4 C/min -> 230 C | 35 C (2 min) 40 C/min -> 50 C (2 min) 4 C/min -> 230 C | 0C => rapidly => 40C(8min) => 4C/min => 250C(10min) |
I | 652. | 673. | 646. | 646. | 678. |
Reference | Kirchhoff and Schieberle, 2002 | Oruna-Concha, Bakker, et al., 2002 | Zehentbauer and Reineccius, 2002 | Zehentbauer and Reineccius, 2002 | Duckham, Dodson, et al., 2001 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-5 | CP Sil 8 CB | CP-Sil8 | DB-5 | CP-SIL8 |
Column length (m) | 25. | 60. | 60. | 30. | 60. |
Carrier gas | He | He | He | He | He |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.25 | 0.25 | 0.32 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Program | 35C(2min) => 40C/min => 50C(2min) => 4C/min => 240C(10min) | 40C(2min) => 4C/min => 200C => 10C/min => 250C(15min) | 40C(2min) => 4C/min => 200C => 10C/min => 250C (15min) | 35C(2min) => 40C/min => 60C (2min) => 4C/min => 240C | 40C(2min) => 4C/min => 200C => 10C/min => 250C (15min) |
I | 652. | 680. | 680. | 649. | 669. |
Reference | Kirchhoff and Schieberle, 2001 | Martin and Ames, 2001 | Martin and Ames, 2001, 2 | Rychlik and Bosset, 2001 | Woffenden, Ames, et al., 2001 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | CP-Sil 8CB-MS | BPX-5 | RTX-5 | RTX-5 | BPX-5 |
Column length (m) | 60. | 50. | 30. | 50. | |
Carrier gas | He | He | He | He | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.32 | 0.32 | 0.32 | |
Phase thickness (μm) | 0.25 | 0.5 | 0.25 | 0.5 | |
Program | 0C(5min) => 40C/min => 40C (2min) => 4C/min => 280C | 0C(5min) => 40C/min => 40C(2min) => 4C/min => 280C | 35C(2min) => 40C/min => 65C => 6C/min => 250C | not specified | OC (5min) => 60C/min => 60C(5min) => 4C/min => 250C |
I | 632. | 689. | 664. | 666. | 663. |
Reference | Elmore, Mottram, et al., 2000 | Elmore, Mottram, et al., 1999 | Jagella and Grosch, 1999 | Mutti and Grosch, 1999 | Bredie, Mottram, et al., 1998 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | SE-54 | SE-54 | SE-54 | BPX-5 | SE-54 |
Column length (m) | 25. | 25. | 30. | 50. | 30. |
Carrier gas | He | He | He | He | |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.32 | 0.32 | 0.32 |
Phase thickness (μm) | 0.5 | 0.5 | 0.25 | 0.5 | |
Program | 35C (2min) => 4C/min => 150C => 10C/min => 240C | 35C (2min) => 4C/min => 150C => 10C/min => 240C | 35C(2min) => 40C/min => 50C(2min) => 6C/min => 180C => 10C/min => 230C(10 min) | 0C (10min) => 40C/min => 40C (2min) => 4C/min => 280C | 35C (2min) => 40C/min => 50C (2min) => 4C/min => 250C (10min) |
I | 655. | 670. | 660. | 645. | 665. |
Reference | Fickert and Schieberle, 1998 | Fickert and Schieberle, 1998 | Hinterholzer, Lemos, et al., 1998 | Elmore, Mottram, et al., 1997 | Kubícková and Grosch, 1997 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary |
---|---|
Active phase | DB-5 |
Column length (m) | 30. |
Carrier gas | He |
Substrate | |
Column diameter (mm) | 0.32 |
Phase thickness (μm) | 1.0 |
Program | 5 0C (0.5 min) -> (1 min) 60 0C (5 min) 4 0C/min -> 250 0C |
I | 652. |
Reference | Beal and Mottram, 1994 |
Comment | MSDC-RI |
References
Go To: Top, Van Den Dool and Kratz RI, non-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.
Frauendorfer and Schieberle, 2006
Frauendorfer, F.; Schieberle, P.,
Identification of the key aroma compounds in Cocoa powder based on molecular sensoly correlations,
J. Agr. Food Chem., 2006, 54, 15, 5521-5529, https://doi.org/10.1021/jf060728k
. [all data]
Bonaiti, Irlinger, et al., 2005
Bonaiti, C.; Irlinger, F.; Spinnler, H.E.; Engel, E.,
An iterative sensory procedure to select odor-active associations in complex consortia of microorganisms: application to the construction of a cheese model,
J. Dairy Sci., 2005, 88, 5, 1671-1684, https://doi.org/10.3168/jds.S0022-0302(05)72839-3
. [all data]
Byrne, Bredie, et al., 2002
Byrne, D.V.; Bredie, W.L.P.; Mottram, D.S.; Martens, M.,
Sensory and chemical investigations on the effect of oven cooking on warmed-over flavour development in chicken meat,
Meat Sci., 2002, 61, 2, 127-139, https://doi.org/10.1016/S0309-1740(01)00171-1
. [all data]
Carrapiso, Ventanas, et al., 2002
Carrapiso, A.I.; Ventanas, J.; García, C.,
Characterization of the most odor-active compounds of Iberian ham headspace,
J. Agric. Food Chem., 2002, 50, 7, 1996-2000, https://doi.org/10.1021/jf011094e
. [all data]
Kirchhoff and Schieberle, 2002
Kirchhoff, E.; Schieberle, P.,
Quantitation of odor-active compounds in rye flour and rye sourdough using stable isotope dilution assays,
J. Agric. Food Chem., 2002, 50, 19, 5378-5385, https://doi.org/10.1021/jf020236h
. [all data]
Oruna-Concha, Bakker, et al., 2002
Oruna-Concha, M.J.; Bakker, J.; Ames, J.M.,
Comparison of the volatile components of two cultivars of potato cooked by boiling, conventional baking and microwave baking,
J. Sci. Food Agric., 2002, 82, 9, 1080-1087, https://doi.org/10.1002/jsfa.1148
. [all data]
Zehentbauer and Reineccius, 2002
Zehentbauer, G.; Reineccius, G.A.,
Determination of key aroma components of cheddar cheese using dynamic headspace dilution assay,
Flavour Fragr. J., 2002, 17, 4, 300-305, https://doi.org/10.1002/ffj.1102
. [all data]
Duckham, Dodson, et al., 2001
Duckham, S.C.; Dodson, A.T.; Bakker, J.; Ames, J.M.,
Volatile flavour components of baked potato flesh. A comparison of eleven potato cultivars,
Nahrung/Food, 2001, 45, 5, 317-323, https://doi.org/10.1002/1521-3803(20011001)45:5<317::AID-FOOD317>3.0.CO;2-4
. [all data]
Kirchhoff and Schieberle, 2001
Kirchhoff, E.; Schieberle, P.,
Determination of key aroma compounds in the crumb of a three-stage sourdough rye bread by stable isotope dilution assays and sensory studies,
J. Agric. Food Chem., 2001, 49, 9, 4304-4311, https://doi.org/10.1021/jf010376b
. [all data]
Martin and Ames, 2001
Martin, F.L.; Ames, J.M.,
Formation of Strecker aldehydes and pyrazines in a fried potato model system,
J. Agric. Food Chem., 2001, 49, 8, 3885-3892, https://doi.org/10.1021/jf010310g
. [all data]
Martin and Ames, 2001, 2
Martin, F.L.; Ames, J.M.,
Comparison of flavor compounds of potato chips fried in palmolein and silicone fluid,
J. Amer. Oil Chem. Soc., 2001, 78, 8, 863-866, https://doi.org/10.1007/s11746-001-0356-2
. [all data]
Rychlik and Bosset, 2001
Rychlik, M.; Bosset, J.O.,
Flavour and off-flavour compoundsof SwissGruy ere cheese. Evaluation of potent odorants,
Int. Dairy J., 2001, 11, 11-12, 895-901, https://doi.org/10.1016/S0958-6946(01)00108-X
. [all data]
Woffenden, Ames, et al., 2001
Woffenden, H.M.; Ames, J.M.; Chandra, S.,
Relationships between antioxidant activity, color, and flavor compounds of crystal Malt extracts,
J. Agric. Food Chem., 2001, 49, 11, 5524-5530, https://doi.org/10.1021/jf010583b
. [all data]
Elmore, Mottram, et al., 2000
Elmore, J.S.; Mottram, D.S.; Enser, M.; Wood, J.D.,
The effects of diet and breed on the volatile compounds of cooked lamb,
Meat Sci., 2000, 55, 2, 149-159, https://doi.org/10.1016/S0309-1740(99)00137-0
. [all data]
Elmore, Mottram, et al., 1999
Elmore, J.S.; Mottram, D.S.; Enser, M.; Wood, J.D.,
Effect of the polyunsaturated fatty acid composition of beef muscle on the profile of aroma volatiles,
J. Agric. Food Chem., 1999, 47, 4, 1619-1625, https://doi.org/10.1021/jf980718m
. [all data]
Jagella and Grosch, 1999
Jagella, T.; Grosch, W.,
Flavour and off-flavour compounds of black and white pepper ( Piper nigrum L.) I. Evaluation of potent odorants of black pepper by dilution and concentration techniques,
Eur. Food Res. Technol., 1999, 209, 1, 16-21, https://doi.org/10.1007/s002170050449
. [all data]
Mutti and Grosch, 1999
Mutti, B.; Grosch, W.,
Potent odorants of boiled potatoes,
Nahrung, 1999, 43, 5, 302-306, https://doi.org/10.1002/(SICI)1521-3803(19991001)43:5<302::AID-FOOD302>3.0.CO;2-8
. [all data]
Bredie, Mottram, et al., 1998
Bredie, W.L.P.; Mottram, D.S.; Guy, R.C.E.,
Aroma volatiles generated during extrusion cooking of maize flour,
J. Agric. Food Chem., 1998, 46, 4, 1479-1487, https://doi.org/10.1021/jf9708857
. [all data]
Fickert and Schieberle, 1998
Fickert, B.; Schieberle, P.,
Identification of the key odorants in barley malt (caramalt) using GC/MS techniques and odour dilution analyses,
Nahrung, 1998, 42, 6, 371-375, https://doi.org/10.1002/(SICI)1521-3803(199812)42:06<371::AID-FOOD371>3.0.CO;2-V
. [all data]
Hinterholzer, Lemos, et al., 1998
Hinterholzer, A.; Lemos, T.; Schieberle, P.,
Identification of the key odorants in raw French beans and changes during cooking,
Z. Lebensm. Unters. Forsch. A, 1998, 207, 3, 219-222, https://doi.org/10.1007/s002170050322
. [all data]
Elmore, Mottram, et al., 1997
Elmore, J.S.; Mottram, D.S.; Enser, M.; Wood, J.D.,
Novel thiazoles and 3-thiazolines in cooked beef aroma,
J. Agric. Food Chem., 1997, 45, 9, 3603-3607, https://doi.org/10.1021/jf970066m
. [all data]
Kubícková and Grosch, 1997
Kubícková, J.; Grosch, W.,
Evaluation of potent odorants of camembert cheese by dilution and concentration techniques,
Int. Dairy J., 1997, 7, 1, 65-70, https://doi.org/10.1016/S0958-6946(96)00044-1
. [all data]
Beal and Mottram, 1994
Beal, A.D.; Mottram, D.S.,
Compounds contributing to the characteristic aroma of malted barley,
J. Agric. Food Chem., 1994, 42, 12, 2880-2884, https://doi.org/10.1021/jf00048a043
. [all data]
Notes
Go To: Top, Van Den Dool and Kratz RI, non-polar column, custom temperature program, References
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