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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- Other data available:
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Van Den Dool and Kratz 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 | SPB-5 | HP-5MS | HP-5MS | DB-5MS | DB-5 |
Column length (m) | 60. | 30. | 30. | 30. | 60. |
Carrier gas | He | He | He | ||
Substrate | |||||
Column diameter (mm) | 0.32 | 0.25 | 0.25 | 0.25 | 0.32 |
Phase thickness (μm) | 1. | 0.5 | 0.5 | 0.25 | 1. |
Tstart (C) | 40. | 35. | 35. | 35. | 40. |
Tend (C) | 230. | 225. | 225. | 225. | 260. |
Heat rate (K/min) | 3. | 4. | 4. | 10. | 4. |
Initial hold (min) | 2. | 5. | 5. | 5. | 2. |
Final hold (min) | 10. | 30. | 30. | 25. | 10. |
I | 662. | 659. | 659. | 661. | 664. |
Reference | Engel and Ratel, 2007 | Jarunrattanasri, Theerakulkait, et al., 2007 | Jarunrattanasri, Theerakulkait, et al., 2007 | Lozano P.R., Drake M., et al., 2007 | Methven L., Tsoukka M., et al., 2007 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-5 | SPB-5 | HP-5 | CP-Sil 8CB-MS | 5 % Phenyl methyl siloxane |
Column length (m) | 30. | 60. | 30. | 0. | 30. |
Carrier gas | He | He | He | He | |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 1. | 0.25 | 0.25 | 1. |
Tstart (C) | 40. | 40. | 50. | 40. | 40. |
Tend (C) | 240. | 230. | 220. | 280. | 250. |
Heat rate (K/min) | 6. | 3. | 3. | 4. | 7. |
Initial hold (min) | 2. | 5. | 2. | 10. | |
Final hold (min) | 10. | 5. | 20. | 5. | 5. |
I | 663. | 661. | 627. | 659. | 674. |
Reference | Steinhaus and Schieberle, 2007 | Deport, Ratel, et al., 2006 | Xian Q., Chen H., et al., 2006 | Elmore, Cooper, et al., 2005 | Estevez, Ventanas, et al., 2005 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP-5 | HP-5 | DB-5MS | CP-Sil 8CB-MS | SPB-5 |
Column length (m) | 25. | 25. | 30. | 60. | 30. |
Carrier gas | He | He | He | ||
Substrate | |||||
Column diameter (mm) | 0.2 | 0.2 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 1. | 1. | 0.25 | 0.25 | 0.25 |
Tstart (C) | 40. | 40. | 40. | 40. | 60. |
Tend (C) | 280. | 280. | 200. | 280. | 250. |
Heat rate (K/min) | 5. | 5. | 10. | 4. | 4. |
Initial hold (min) | 3. | 2. | 2. | ||
Final hold (min) | 5. | 5. | 20. | 5. | 20. |
I | 677. | 677. | 688. | 662. | 653. |
Reference | Solina, Baumgartner, et al., 2005 | Solina, Baumgartner, et al., 2005 | Whetstine, Cadwallader, et al., 2005 | Hierro, de la Hoz, et al., 2004 | Píno, Marbot, et al., 2004 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP-5 | CP-Sil 8CB-MS | HP-1 | HP-1 | DB-5 |
Column length (m) | 30. | 60. | 50. | 50. | 30. |
Carrier gas | He | He | |||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.2 | 0.2 | 0.25 |
Phase thickness (μm) | 0.1 | 0.25 | 0.33 | 0.33 | 0.25 |
Tstart (C) | -30. | 40. | 60. | 60. | 35. |
Tend (C) | 250. | 280. | 250. | 250. | 250. |
Heat rate (K/min) | 10. | 4. | 2. | 2. | 4. |
Initial hold (min) | 1. | 2. | 5. | 5. | 2. |
Final hold (min) | 5. | 5. | 20. | 20. | 4. |
I | 658. | 674. | 638. | 632. | 641. |
Reference | Siegmund and Murkovic, 2004 | Bruna, Hierro, et al., 2003 | Cavalli, Fernandez, et al., 2003 | Cavalli, Fernandez, et al., 2003 | Peterson and Reineccius, 2003 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | BPX-5 | CP Sil 8 CB | CP Sil 8 CB | CP Sil 8 CB | DB-5 |
Column length (m) | 50. | 60. | 60. | 60. | 30. |
Carrier gas | He | He | He | He | |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.25 | 0.25 | 0.25 | 0.32 |
Phase thickness (μm) | 0.5 | 0.25 | 0.25 | 0.25 | 0.25 |
Tstart (C) | 60. | 40. | 40. | 40. | 40. |
Tend (C) | 250. | 250. | 250. | 250. | 220. |
Heat rate (K/min) | 4. | 4. | 4. | 4. | 10. |
Initial hold (min) | 5. | 8. | 8. | 8. | 5. |
Final hold (min) | 20. | 10. | 10. | 10. | 30. |
I | 668. | 672. | 679. | 672. | 661. |
Reference | Bredie, Mottram, et al., 2002 | Duckham, Dodson, et al., 2002 | Duckham, Dodson, et al., 2002 | Oruna-Concha, Ames, et al., 2002 | Wu and Cadwallader, 2002 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-5 | BPX-5 | CP-Sil 8CB-MS | DB-1 | SPB-1 |
Column length (m) | 15. | 50. | 60. | 60. | 30. |
Carrier gas | He | He | He | ||
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.25 | 0.32 | 0.32 |
Phase thickness (μm) | 0.5 | 0.5 | 0.25 | 1. | 4. |
Tstart (C) | 30. | 60. | 40. | 40. | 45. |
Tend (C) | 225. | 250. | 280. | 220. | 240. |
Heat rate (K/min) | 10. | 4. | 4. | 2. | 5. |
Initial hold (min) | 2. | 5. | 2. | 5. | 13. |
Final hold (min) | 20. | 10. | 5. | ||
I | 654. | 625. | 674. | 639. | 649. |
Reference | Zhou, Wintersteen, et al., 2002 | Ames, Guy, et al., 2001 | Bruna, Hierro, et al., 2001 | Kim, 2001 | Larráyoz, Addis, 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 | SE-54 | SE-54 | CP Sil 8 CB | BPX-5 |
Column length (m) | 30. | 25. | 25. | 60. | 50. |
Carrier gas | He | He | He | ||
Substrate | |||||
Column diameter (mm) | 0.053 | 0.31 | 0.31 | 0.25 | 0.32 |
Phase thickness (μm) | 1.5 | 0.25 | 0.50 | ||
Tstart (C) | 0. | 35. | 35. | 40. | 40. |
Tend (C) | 230. | 230. | 230. | 280. | 280. |
Heat rate (K/min) | 6. | 4. | 4. | 4. | 4. |
Initial hold (min) | 3. | 3. | 2. | ||
Final hold (min) | 10. | 10. | |||
I | 664. | 665.47 | 667.42 | 665. | 678. |
Reference | Rychlik and Bosset, 2001 | Yin, Xiu, et al., 2001 | Yin, Xiu, et al., 2001 | Elmore, Mottram, et al., 2000 | Aaslyng, Elmore, et al., 1998 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | SPB-5 | DB-1 | HP-1 | OV-101 | SPB-1 |
Column length (m) | 60. | 60. | 50. | 50. | 60. |
Carrier gas | He | He | He | ||
Substrate | |||||
Column diameter (mm) | 0.32 | 0.25 | 0.32 | 0.32 | 0.25 |
Phase thickness (μm) | 1. | 0.25 | 1.5 | 0.50 | 0.25 |
Tstart (C) | 40. | 35. | 40. | 50. | 35. |
Tend (C) | 200. | 280. | 220. | 250. | 235. |
Heat rate (K/min) | 3. | 2. | 2. | 2. | 2. |
Initial hold (min) | 5. | 10. | 10. | ||
Final hold (min) | 2. | 10. | 30. | 40. | |
I | 661. | 639. | 640. | 620. | 635. |
Reference | Verdier-Metz., Coulon, et al., 1998 | Specht and Baltes, 1994 | Zhang, Dorjpalam, et al., 1992 | Misharina, Aerove, et al., 1991 | Huang, Bruechert, et al., 1987 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary |
---|---|
Active phase | OV-1 |
Column length (m) | 183. |
Carrier gas | N2 |
Substrate | |
Column diameter (mm) | |
Phase thickness (μm) | |
Tstart (C) | 0. |
Tend (C) | 230. |
Heat rate (K/min) | 1. |
Initial hold (min) | |
Final hold (min) | |
I | 643. |
Reference | Schreyen, Dirinck, et al., 1976 |
Comment | MSDC-RI |
References
Go To: Top, Van Den Dool and Kratz 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.
Engel and Ratel, 2007
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Correction of the data generated by mass spectrometry analyses of biological tissues: Application to food authentication,
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Aroma Components of Acid-Hydrolyzed Vegetable Protein Made by Partial Hydrolysis of Rice Bran Protein,
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Instrumental and sensory characterization of heat-induced odorants in aseptically packaged soy milk,
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Influence of sulfur amino acids on the volatile and nonvolatile components of cooked salmon (Salmo salar),
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Characterization of the key aroma compounds in soy sauce using approaches of molecular sensory science,
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Comprehensive combinatory standard correction: A calibration method for handling instrumental drifts of gas chromatography-mass spectrometry systems,
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Chemical composition of essential oils of two submerged macrophytes, Ceratophyllum demersum L. and Vallisneria spiralis L.,
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Influence of the Addition of Rosemary Essential Oil on the Volatiles Pattern of Porcine Frankfurters,
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Volatile aroma components of soy protein isolate and acid-hydrolysed vegetable protein,
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Characterization of aroma compounds responsible for the rosy/floral flavor in cheddar cheese,
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Headspace volatile compounds from salted and occasionally smoked dried meats (cecinas) as affected by animal species,
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Siegmund and Murkovic, 2004
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Changes in chemical composition of pumpkin seeds during the roasting process for production of pumpkin seed oil (Part 2: volatile compounds),
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Bruna, Hierro, et al., 2003
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Changes in selected biochemical and sensory parameters as affected by the superficial inoculation of Penicillium camemberti on dry fermented sausages,
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Characterization of the volatile compounds that constitute fresh sweet cream butter aroma,
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Effect of temperature and pH on the generation of flavor volatiles in extrusion cooking of wheat flour,
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Duckham, Dodson, et al., 2002
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Effect of cultivar and storage time on the volatile flavor components of baked potato,
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Oruna-Concha, Ames, et al., 2002
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Characterization of the aroma of a meatlike process flavoring from soybean-based enzyme-hydrolyzed vegetable protein,
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Zhou, Wintersteen, et al., 2002
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Ames, Guy, et al., 2001
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Effect of pH and temperature on the formation of volatile compounds in cysteine/reducing sugar/starch mixtures during extrusion cooking,
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Bruna, J.M.; Hierro, E.M.; de la Hoz, L.; Mottram, D.S.; Fernández, M.; Ordóñez, J.A.,
The contribution of Penicillium aurantiogriseum to the volatile composition and sensory quality of dry fermented sausages,
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Kim, 2001
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Identification of volatile flavor compounds with high aroma values from shallow-fried beef,
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Schreyen, L.; Dirinck, P.; van Wassenhove, F.; Schamp, N.,
Volatile flavor components of leek,
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Notes
Go To: Top, Van Den Dool and Kratz 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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