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
- Information on this page:
- Other data available:
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Normal alkane 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 | HP-5 | DB-5 | DB-5 MS | CP-Sil 5 Cb | SE-54 |
Column length (m) | 30. | 30. | 30. | 50. | |
Carrier gas | Helium | Hydrogen | Helium | Nitrogen | Helium |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.32 | 0.25 | 0.32 | |
Phase thickness (μm) | 0.25 | 0.50 | 0.25 | 1.20 | |
Program | 30 0C (1 min) 2 0C/min -> 100 0C (5 min) 5 0C/min -> 170 0C | 40 0C (5 min) 4 0C/min -> 100 0C 6 0C/min -> 220 0C (20 min) | not specified | 40 0C 20 0C/min -> 85 0C 1 0C/min -> 145 0C 3 0C/min -> 250 0C (30 min) | not specified |
I | 681. | 663. | 664. | 661. | 651. |
Reference | Fang, Pu, et al., 2012 | San-Juan, Petka, et al., 2010 | Su, Wang, et al., 2009 | Collin, Nizet, et al., 2008 | Frauendorfer and Schieberle, 2008 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | SLB-5MS | HP-5 | HP-1 | HP-5 | SE-54 |
Column length (m) | 10. | 50. | 50. | 50. | 30. |
Carrier gas | Helium | Helium | He | ||
Substrate | |||||
Column diameter (mm) | 0.18 | 0.32 | 0.2 | 0.32 | 0.32 |
Phase thickness (μm) | 0.18 | 1.05 | 0.33 | 1.05 | 0.25 |
Program | not specified | 40 0C (10 min) 5 0C/min -> 200 0C 15 0C/min -> 250 0C (10 min) | 40C(2min) => 2C/min => 200C => 15C/min => 250C (30min) | 35 0C (10 min) 10 0C/min -> 150 0C 20 0C/min -> 250 0C (10 min) | 35C(2min) => 40C/min => 60C(2min) => 6C/min => 180C => 10C/min => 230C(10min) |
I | 645. | 641. | 635. | 668. | 663. |
Reference | Risticevic, Carasek, et al., 2008 | Ventanas, Estevez, et al., 2008 | Barra, Baldovini, et al., 2007 | Carrapiso and Garsia, 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 | HP-5MS | HP-5 | BPX-5 | DB-1 | BPX-5 |
Column length (m) | 60. | 60. | 60. | ||
Carrier gas | He | He | He | He | |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.25 | ||
Phase thickness (μm) | 1. | 0.25 | 0.25 | ||
Program | not specified | 50C => 3C/min => 200C(10min) => 10C/min => 290C(10min) | 40C(4min) => 2C/min => 90C => 4C/min => 130C => 8C/min => 250C | 33C(5min) => 2C/min => 50c => 5C/min => 225C | 40C(5min) => 5C/min => 100C => 20C/min => 280C (5min) |
I | 645. | 681. | 682. | 631. | 671. |
Reference | Mallia, Escher, et al., 2007 | Splivallo, Bossi, et al., 2007 | van Ruth, Floris, et al., 2006 | Cramer, Mattinson, et al., 2005 | Duflos, Moine, et al., 2005 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | CP-Sil5 CB MS | HP-5 | CP Sil 5 CB | HP-5 | DB-5 |
Column length (m) | 50. | 60. | 50. | 50. | 50. |
Carrier gas | |||||
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.32 | 0.32 | 0.32 |
Phase thickness (μm) | 1.2 | 1. | 1.2 | 1.05 | 1.05 |
Program | 36C(2min) => 20C/min => 85C => 1C/min => 145C => 3C/min => 250C(30min) | not specified | 36C => 20C/min => 85C => 1C/min => 145C => 3C/min => 250C(30min) | 40C(10min) => 5C/min => 200C => 20C/min => 250C(5min) | 40C(10min) => 5C/min => 200C => 20C/min => 250C (5min) |
I | 661. | 657. | 668. | 660. | 660. |
Reference | Iraqi, Vermeulen, et al., 2005 | Thierry, Maillard, et al., 2005 | Counet, Ouwerx, et al., 2004 | Garcia-Estaban, Ansorena, et al., 2004 | Garcia-Estaban, Ansorena, et al., 2004, 2 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP-1 | BPX-5 | SE-30 | Polydimethyl siloxane | RTX-5 MS |
Column length (m) | 60. | 60. | |||
Carrier gas | He | He | |||
Substrate | |||||
Column diameter (mm) | 0.32 | 0.25 | |||
Phase thickness (μm) | 1. | 0.5 | |||
Program | not specified | 40C (4min) => 2C/min => 90C => 4C/min => 130C => 8C/min => 250 C (10min) | not specified | not specified | 35C (3min) => 10C/min => 50C => 4C/min => 200C => 50C/min => 250C (10min) |
I | 645. | 675. | 665. | 645. | 666. |
Reference | Junkes, Amboni, et al., 2004 | Machiels, Istasse, et al., 2004 | Vinogradov, 2004 | Junkes, Castanho, et al., 2003 | Machiels and Istasse, 2003 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | BPX-5 | BPX-5 | DB-5MS | DB-5 | CP Sil 5 CB |
Column length (m) | 60. | 60. | 30. | 30. | 50. |
Carrier gas | He | He | |||
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.25 | 0.53 | 0.32 |
Phase thickness (μm) | 1. | 1. | 1. | 1.5 | 1.2 |
Program | 40C (4min) => 2C/min => 90C => 4C/min => 130C => 8C/min => 250 C (10min) | 40C (4min) => 2C/min => 90C => 4C/min => 130C => 8C/min => 250 C (10min) | 50C => 3C/min => 160C => 6C/min => 250C => 25C/min => 325C | -5C(1min) => 4C/min => 50C => 6C/min => 120C => 8C/min => 250C(2min) | 36C => 20C/min => 85C => 1C/min => 145C=3C/min => 250C(30min) |
I | 664. | 654. | 662. | 665. | 643. |
Reference | Machiels, van Ruth, et al., 2003 | Machiels, van Ruth, et al., 2003 | Young, Lane, et al., 2003 | Bücking and Steinhart, 2002 | Counet, Callemien, et al., 2002 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | CP Sil 5 CB | Methyl phenyl siloxane (not specified) | DB-5 | CP Sil 8 CB | DB-5 MS |
Column length (m) | 50. | 60. | 30. | ||
Carrier gas | Helium | ||||
Substrate | |||||
Column diameter (mm) | 0.32 | 0.25 | 0.25 | ||
Phase thickness (μm) | 1.2 | 0.25 | 1.0 | ||
Program | 36C => 20C/min => 85C => 1C/min => 145C=3C/min => 250C(30min) | not specified | not specified | not specified | not specified |
I | 643. | 660. | 653. | 672. | 674. |
Reference | Counet, Callemien, et al., 2002 | Poligne, Collignan, et al., 2002 | Staples E.S., 2002 | Duckham, Dodson, et al., 2001 | Luo and Agnew, 2001 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | Polydimethyl siloxane | RTX-5 | DB-5 | SE-54 | HP-5 |
Column length (m) | 30. | 30. | 50. | ||
Carrier gas | He | He | |||
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.32 | ||
Phase thickness (μm) | 0.25 | 0.25 | 0.52 | ||
Program | not specified | not specified | 35C(1min) => 40C/min => 60C (1min) => 6C/min => 230C | 35 0C (2 min) 40 0C/min -> 50 0C (1 min) 6 0C/min -> 230 0C | 35 0C 10 0C/min -> 200 0C (20 min) 5 0C/min -> 230 0C (50 min) |
I | 663. | 666. | 664. | 650. | 677. |
Reference | Spanier, Shahidi, et al., 2001 | Masanetz, Guth, et al., 1998 | Matsui, Guth, et al., 1998 | Reiners and Grosch, 1998 | Timón, Ventanas, 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 | DB-5 | DB-5 | Methyl Silicone |
Column length (m) | 25. | 30. | 50. | 50. | |
Carrier gas | He | He | He | He | |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.32 | 0.32 | |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | ||
Program | 35C(2min) => 50C/min => 60C(2min) => 4C/min => 230C | 35C => 40C/min => 60C (1min) => 6C/min => 250C | 40C(10min) => 3C/min => 95C => 10C/min => 270C(10min) | 40C (10min) => 3C/min => 95C => 10C/min => 270C (10min) | not specified |
I | 662. | 660. | 635. | 665. | 639. |
Reference | Zehentbauer and Grosch, 1998 | Lizárraga-Guerra, Guth, et al., 1997 | Mateo, Aguirrezábal, et al., 1997 | Mateo and Zumalacárregui, 1996 | Misharina, 1995 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | RSL-150 | DB-1 | DB-1 | CP Sil 8 CB | methyl silicone oil with 5% Igepal |
Column length (m) | 60. | 60. | 60. | 40. | 150. |
Carrier gas | He | He | |||
Substrate | |||||
Column diameter (mm) | 0.32 | 0.25 | 0.25 | 0.25 | 0.75 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | |
Program | 30c (1.5min) => 20C/min => 55C => 6C/min => 200C(10min) | not specified | not specified | 30 0C (1 min) 15 0C/min -> 45 0C 3 0C/min -> 120 0C | not specified |
I | 625. | 634. | 637. | 663. | 640. |
Reference | Buchbauer, Nikiforov, et al., 1994 | Kawai, Ishida, et al., 1991 | Kawai, Ishida, et al., 1991 | Weller and Wolf, 1989 | Schultz, Flath, et al., 1988 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary |
---|---|---|
Active phase | methyl silicone oil with 5% Igepal | SF96+Igepal |
Column length (m) | 150. | 152. |
Carrier gas | ||
Substrate | ||
Column diameter (mm) | 0.75 | 0.76 |
Phase thickness (μm) | ||
Program | not specified | 25C(1min) => 5C/min => 50C (4min) => 1.25C/min => 180C |
I | 643. | 646. |
Reference | Schultz, Flath, et al., 1988 | Flath, Altieri, et al., 1984 |
Comment | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane 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.
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Zehentbauer and Grosch, 1998
Zehentbauer, G.; Grosch, W.,
Crust aroma of baguettes. I. Key odorants of baguettes prepared in two different ways,
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Lizárraga-Guerra, Guth, et al., 1997
Lizárraga-Guerra, R.; Guth, H.; López, M.G.,
Identification of the most potent odorants in huitlacoche (Ustilago maydis) and austern pilzen (Pleurotus sp.) by aroma extract dilution analysis and static head-space samples,
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Mateo, Aguirrezábal, et al., 1997
Mateo, J.; Aguirrezábal, M.; Domínguez, C.; Zumalacárregui, J.M.,
Volatile compounds in Spanish paprika,
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. [all data]
Mateo and Zumalacárregui, 1996
Mateo, J.; Zumalacárregui, J.M.,
Volatile compounds in chorizo and their changes during ripening,
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. [all data]
Misharina, 1995
Misharina, T.A.,
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Buchbauer, Nikiforov, et al., 1994
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Headspace constituents of opium,
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. [all data]
Kawai, Ishida, et al., 1991
Kawai, T.; Ishida, Y.; Kakiuchi, H.; Ikeda, N.; Higashida, T.; Nakamura, S.,
Flavor components of dried squid,
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. [all data]
Weller and Wolf, 1989
Weller, J.-P.; Wolf, M.,
Massenspektroskopie und Headspace-GC,
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Schultz, Flath, et al., 1988
Schultz, T.H.; Flath, R.A.; Stern, D.J.; Mon, T.R.; Teranishi, R.; McKenna Kruse, S.; Butlder, B.; Howard, W.E.,
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. [all data]
Flath, Altieri, et al., 1984
Flath, R.A.; Altieri, M.A.; Mon, T.R.,
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. [all data]
Notes
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