Butanal, 2-methyl-
- Formula: C5H10O
- Molecular weight: 86.1323
- IUPAC Standard InChI: InChI=1S/C5H10O/c1-3-5(2)4-6/h4-5H,3H2,1-2H3
- 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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Normal alkane 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 | Optima-5 MS | VF-5 MS | VF-5 MS | VF-5 MS | DB-5 MS |
| Column length (m) | 30. | 60. | 60. | 60. | 30. |
| Carrier gas | Helium | Helium | Helium | Helium | Helium |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.32 | 0.32 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 35. | 40. | 30. | 30. | 40. |
| Tend (C) | 250. | 250. | 260. | 260. | 230. |
| Heat rate (K/min) | 10. | 4. | 2. | 2. | 6. |
| Initial hold (min) | 3. | 2. | 2. | ||
| Final hold (min) | 5. | 28. | 28. | 20. | |
| I | 647. | 663. | 653. | 659. | 671. |
| Reference | Goeminne, Vandendriessche, et al., 2012 | Srisajjalerwaja, Apichartsrangkoon, et al., 2012 | Leffingwell and Alford, 2011 | Leffingwell and Alford, 2011 | Chen, Song, et al., 2009 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-5 MS | HP-5 MS | DB-5 MS | HP-5 | RTX-5 |
| Column length (m) | 30. | 30. | 30. | 10. | 30. |
| Carrier gas | Helium | Helium | Helium | Helium | He |
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.25 | 0.25 | 0.10 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.40 | 0.25 |
| Tstart (C) | 40. | 35. | 40. | 40. | 40. |
| Tend (C) | 250. | 195. | 250. | 280. | 250. |
| Heat rate (K/min) | 6. | 2. | 4. | 20. | 20. |
| Initial hold (min) | 2. | 5. | 2. | 1. | 5. |
| Final hold (min) | 20. | 30. | 2. | 1. | |
| I | 658. | 656. | 672. | 662. | 668. |
| Reference | Chen, Song, et al., 2009 | Kim and Chung, 2009 | Su, Wang, et al., 2009 | Mildner-Szkudlarz and Jelen, 2008 | Pham, Schilling, et al., 2008 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | SLB-5MS | 5 % Phenyl methyl siloxane | 5 % Phenyl methyl siloxane | SPB-5 | HP-1 |
| Column length (m) | 10. | 30. | 30. | 60. | 50. |
| Carrier gas | Helium | He | He | N2 | |
| Substrate | |||||
| Column diameter (mm) | 0.18 | 0.25 | 0.25 | 0.32 | 0.2 |
| Phase thickness (μm) | 0.18 | 1. | 1. | 1. | 0.33 |
| Tstart (C) | 40. | 40. | 40. | 40. | 60. |
| Tend (C) | 295. | 250. | 250. | 230. | 250. |
| Heat rate (K/min) | 10. | 7. | 7. | 3. | 2. |
| Initial hold (min) | 1.5 | 10. | 10. | 5. | |
| Final hold (min) | 5. | 5. | 5. | 20. | |
| I | 667. | 657. | 657. | 657. | 647. |
| Reference | Risticevic, Carasek, et al., 2008 | Ramirez R. and Cava R., 2007 | Ramirez R. and Cava R., 2007 | Vasta, Ratel, et al., 2007 | Berlioz, Cordella, et al., 2006 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-5 | DB-5 | HP-5 | DB-5 MS | HP-5 |
| Column length (m) | 60. | 60. | 30. | 30. | 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 | 0.25 | 0.25 | ||
| Tstart (C) | 60. | 50. | 50. | 40. | 50. |
| Tend (C) | 250. | 250. | 300. | 200. | 300. |
| Heat rate (K/min) | 4. | 4. | 5. | 8. | 5. |
| Initial hold (min) | 5. | 5. | 5. | 3. | 5. |
| Final hold (min) | 5. | 20. | 5. | ||
| I | 646. | 640. | 682. | 653. | 682. |
| Reference | Fadel, Mageed, et al., 2006 | Fadel, Mageed, et al., 2006, 2 | Figuérédo, Cabassu, et al., 2006 | Schirack, Drake, et al., 2006 | Figuérédo, Cabassu, et al., 2005 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | HP-5MS | HP-5 | MDN-5 | MDN-5 | SPB-1 |
| Column length (m) | 30. | 60. | 60. | 60. | 50. |
| Carrier gas | He | He | He | He | |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.32 | 0.25 | 0.25 | 0.2 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.33 |
| Tstart (C) | 38. | 30. | 40. | 40. | 50. |
| Tend (C) | 220. | 260. | 270. | 270. | 220. |
| Heat rate (K/min) | 5. | 2. | 4. | 4. | 4. |
| Initial hold (min) | 1. | 2. | 4. | 4. | 3. |
| Final hold (min) | 2. | 28. | 5. | 5. | 30. |
| I | 662. | 669.7 | 669. | 660. | 629. |
| Reference | Krist, Stuebiger, et al., 2005 | Leffingwell and Alford, 2005 | van Loon, Linssen, et al., 2005 | van Loon, Linssen, et al., 2005 | Wong and Tan, 2005 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | 5 % Phenyl methyl siloxane | DB-5 | SPB-5 | SPB-1 | SPB-1 |
| Column length (m) | 0. | 30. | 60. | 30. | 30. |
| Carrier gas | He | H2 | Helium | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.32 | 0.25 | 0.25 |
| Phase thickness (μm) | 1. | 0.25 | 1.0 | 0.25 | 0.25 |
| Tstart (C) | 40. | 60. | 30. | 40. | 40. |
| Tend (C) | 250. | 280. | 230. | 200. | 200. |
| Heat rate (K/min) | 7. | 4. | 3. | 3. | 3. |
| Initial hold (min) | 10. | 10. | 10. | 10. | |
| Final hold (min) | 5. | 40. | |||
| I | 662. | 653. | 666. | 631. | 645. |
| Reference | Ramírez, Estévez, et al., 2004 | Pino, Marbot, et al., 2003 | Sebastian, Viallon-Fernandez, et al., 2003 | Vichi, Castellote, et al., 2003 | Vichi, Pizzale, et al., 2003 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | HP-5 | DB-5 | SE-54 | DB-5MS | DB-5 |
| Column length (m) | 50. | 30. | 25. | 30. | 60. |
| Carrier gas | He | He | He | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.32 | 0.20 | 0.53 | 0.32 |
| Phase thickness (μm) | 1.05 | 0.25 | 0.50 | 1.5 | 1. |
| Tstart (C) | 40. | 40. | 35. | 40. | 40. |
| Tend (C) | 200. | 230. | 250. | 225. | 200. |
| Heat rate (K/min) | 5. | 6. | 5. | 6. | 3. |
| Initial hold (min) | 10. | 2. | 2. | 5. | 5. |
| Final hold (min) | 5. | 10. | 30. | ||
| I | 661. | 654. | 673. | 663. | 661. |
| Reference | Andrés, Cava, et al., 2002 | Czerny and Schieberle, 2002 | Bellesia, Pinetti, et al., 2001 | Cadwallader and Heo, 2001 | Joffraud, Leroi, et al., 2001 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | HP-5 | Methyl Silicone | DB-5 | SE-54 | DB-1 |
| Column length (m) | 60. | 60. | 30. | 25. | 60. |
| Carrier gas | He | ||||
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.25 | 0.32 | 0.31 | 0.25 |
| Phase thickness (μm) | 1. | 0.25 | 1. | ||
| Tstart (C) | 40. | 40. | 40. | 35. | 30. |
| Tend (C) | 240. | 220. | 200. | 250. | 200. |
| Heat rate (K/min) | 3. | 5. | 3. | 4. | 4. |
| Initial hold (min) | 10. | 5. | 3. | 25. | |
| Final hold (min) | 20. | ||||
| I | 662. | 636.27 | 662. | 653. | 637. |
| Reference | García, Martín, et al., 2000 | Baraldi, Rapparini, et al., 1999 | Meynier, Novelli, et al., 1999 | Ding, Deng, et al., 1998 | Buttery, Ling, et al., 1997 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-5 | DB-5 | SE-54 | DB-1 | RTX-5 |
| Column length (m) | 60. | 60. | 25. | 60. | 30. |
| Carrier gas | He | He | He | ||
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.32 | 0.2 | 0.25 | 0.52 |
| Phase thickness (μm) | 1. | 1. | 0.5 | 1.5 | |
| Tstart (C) | 40. | 40. | 35. | 30. | 5. |
| Tend (C) | 200. | 200. | 250. | 200. | 230. |
| Heat rate (K/min) | 3. | 3. | 5. | 4. | 6. |
| Initial hold (min) | 5. | 5. | 2. | 25. | |
| Final hold (min) | 2. | 2. | 20. | ||
| I | 660. | 662. | 673. | 637. | 663. |
| Reference | Kondjoyan, Viallon, et al., 1997 | Kondjoyan, Viallon, et al., 1997 | Bellesia, Pinetti, et al., 1996 | Buttery and Ling, 1995 | Milo and Grosch, 1995 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-1 | HP-5 | HP-5 | DB-1 | DB-1 |
| Column length (m) | 60. | 50. | 50. | 60. | 50. |
| Carrier gas | He | H2 | H2 | ||
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.3 | 0.3 | 0.32 | 0.32 |
| Phase thickness (μm) | 0.25 | ||||
| Tstart (C) | 30. | 80. | 80. | 50. | 0. |
| Tend (C) | 200. | 250. | 250. | 250. | 250. |
| Heat rate (K/min) | 4. | 16. | 16. | 4. | 3. |
| Initial hold (min) | 25. | ||||
| Final hold (min) | 20. | ||||
| I | 637. | 635. | 645. | 637. | 640. |
| Reference | Buttery, Stern, et al., 1994 | Spadone, Takeoka, et al., 1990 | Spadone, Takeoka, et al., 1990 | Flath, Matsumoto, et al., 1989 | Habu, Flath, et al., 1985 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | OV-101 | SF96+Igepal | SF96+Igepal | SE-30 | OV-1 |
| Column length (m) | 50. | 213. | 213. | 50. | 183. |
| Carrier gas | He | N2 | |||
| Substrate | |||||
| Column diameter (mm) | 0.31 | 0.7 | 0.7 | 0.5 | 0.762 |
| Phase thickness (μm) | |||||
| Tstart (C) | 0. | 45. | 45. | 40. | 0. |
| Tend (C) | 225. | 200. | 200. | 170. | 230. |
| Heat rate (K/min) | 3. | 2. | 2. | 3. | 1. |
| Initial hold (min) | 1. | 30. | 30. | 3. | |
| Final hold (min) | |||||
| I | 639. | 642. | 643. | 631. | 644. |
| Reference | del Rosario, de Lumen, et al., 1984 | Lorenz, Stern, et al., 1983 | Lorenz, Stern, et al., 1983 | Heydanek and McGorrin, 1981 | Schreyen, Dirinck, et al., 1979 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane 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.
Goeminne, Vandendriessche, et al., 2012
Goeminne, P.C.; Vandendriessche, T.; Van Eldere, J.; Nicolai, B.M.; Hertog, M.L.; Dupont, L.J.,
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Volatile constituents of the giant pufball mushroom (Calvatia gigantea),
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Important aroma compounds in freshly ground wholemeal and white wheat flour-identification and quantitative changes during sourdough fermentation,
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Notes
Go To: Top, Normal alkane RI, non-polar column, temperature ramp, References
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