Methional
- Formula: C4H8OS
- Molecular weight: 104.171
- IUPAC Standard InChIKey: CLUWOWRTHNNBBU-UHFFFAOYSA-N
- CAS Registry Number: 3268-49-3
- 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: Propanal, 3-(methylthio)-; Propionaldehyde, 3-(methylthio)-; β-(Methylmercapto)propionaldehyde; β-(Methylthio)propionaldehyde; 3-(Methylmercapto)propionaldehyde; 3-(Methylthio)propionaldehyde; 3-Methylthiopropional; Methylmercaptopropionic aldehyde; 3-(Methylthio)propanal; 4-Thiapentanal; UN 2785; 3-(Methythio)-propanal; 3-Methylmercaptopropyl aldehyde; NSC 15874; 3-(methylthio)propanal (methional); 3-Methylthio-1-propanal; 3-(methylsulfanyl)propanal; 3-(methylthio)propionaldehyde (methional); 3-(methylthiol)propanal
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Other data available:
- Options:
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 | VF-5 MS | VF-5 MS | HP-5 MS | HP-5 MS | DB-5 MS |
Column length (m) | 60. | 60. | 30. | 30. | 30. |
Carrier gas | Helium | Helium | Helium | Helium | Helium |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.25 | 0.25 | 0.32 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Tstart (C) | 30. | 30. | 40. | 70. | 40. |
Tend (C) | 260. | 260. | 260. | 290. | 230. |
Heat rate (K/min) | 2. | 2. | 4. | 5. | 6. |
Initial hold (min) | 2. | ||||
Final hold (min) | 28. | 28. | 5. | 20. | |
I | 910. | 912. | 907. | 908. | 914. |
Reference | Leffingwell and Alford, 2011 | Leffingwell and Alford, 2011 | Miyazawa, Marumoto, et al., 2011 | Lazarevic, Radulovic, et al., 2010 | 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 | SE-54 | HP-5 MS | RTX-5 MS |
Column length (m) | 30. | 30. | 30. | 30. | 30. |
Carrier gas | Helium | Helium | Helium | Helium | |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.25 | 0.32 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.50 |
Tstart (C) | 40. | 35. | 0. | 70. | 35. |
Tend (C) | 250. | 195. | 200. | 290. | 225. |
Heat rate (K/min) | 6. | 2. | 6. | 5. | 6. |
Initial hold (min) | 2. | 5. | 2. | 5. | |
Final hold (min) | 20. | 30. | 10. | 10. | |
I | 916. | 904. | 905. | 908. | 906. |
Reference | Chen, Song, et al., 2009 | Kim and Chung, 2009 | Laselan, Buettner, et al., 2009 | Radulovic, Blagojevic, et al., 2009 | Watcharananun, Cadwallader, et al., 2009 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP-1 | HP-1 | HP-5 MS | RTX-5 | 5 % Phenyl methyl siloxane |
Column length (m) | 50. | 50. | 30. | 60. | 30. |
Carrier gas | Helium | Helium | Helium | He | |
Substrate | |||||
Column diameter (mm) | 0.20 | 0.20 | 0.25 | 0.32 | 0.25 |
Phase thickness (μm) | 0.33 | 0.33 | 0.25 | 1. | 1. |
Tstart (C) | 60. | 60. | 50. | 40. | 40. |
Tend (C) | 250. | 250. | 230. | 205. | 250. |
Heat rate (K/min) | 2. | 2. | 4. | 4. | 7. |
Initial hold (min) | 4. | 5. | 10. | ||
Final hold (min) | 20. | 20. | 10. | 5. | 5. |
I | 861. | 865. | 908. | 907. | 910. |
Reference | Breme, Langle, et al., 2008 | Breme, Langle, et al., 2008 | Forero, Quijano, et al., 2008 | Berdague, Tournayre, et al., 2007 | Ramirez R. and Cava R., 2007 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | Elite-5MS | SPB-5 | DB-5 | HP-1 | DB-5 |
Column length (m) | 30. | 60. | 60. | 50. | 30. |
Carrier gas | He | He | He | He | |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.32 | 0.2 | 0.25 |
Phase thickness (μm) | 0.5 | 1. | 0.5 | 0.25 | |
Tstart (C) | 40. | 40. | 60. | 60. | 60. |
Tend (C) | 280. | 230. | 250. | 250. | 240. |
Heat rate (K/min) | 4. | 3. | 4. | 2. | 3. |
Initial hold (min) | 5. | 5. | 5. | ||
Final hold (min) | 10. | 5. | 40. | ||
I | 905. | 907. | 901. | 870. | 902. |
Reference | Tava, Pecetti, et al., 2007 | Vasta, Ratel, et al., 2007 | Fadel, Mageed, et al., 2006 | Valette, Fernandez, et al., 2006 | Miyazawa, Nishiguchi, et al., 2005 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | SE-54 | 5 % Phenyl methyl siloxane | DB-5 | DB-5 | DB-5 |
Column length (m) | 30. | 0. | 60. | 30. | 30. |
Carrier gas | He | He | He | H2 | H2 |
Substrate | |||||
Column diameter (mm) | 0.053 | 0.25 | 0.25 | 0.25 | 0.3 |
Phase thickness (μm) | 1.5 | 1. | 0.25 | 0.25 | 0.25 |
Tstart (C) | 100. | 40. | 35. | 60. | 35. |
Tend (C) | 250. | 250. | 280. | 280. | 240. |
Heat rate (K/min) | 5. | 7. | 5. | 4. | 8. |
Initial hold (min) | 10. | 2. | 10. | 2.5 | |
Final hold (min) | 5. | 4. | 40. | 2. | |
I | 910. | 911. | 910. | 904. | 900. |
Reference | Kilic, Hafizoglu, et al., 2004 | Ramírez, Estévez, et al., 2004 | Dhanda, Pegg, et al., 2003 | Pino, Marbot, et al., 2003 | Triqui and Bouchriti, 2003 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP-1 | DB-5 | DB-5 | DB-5 | SPB-5 |
Column length (m) | 50. | 30. | 30. | 30. | 30. |
Carrier gas | He | He | He | He | Helium |
Substrate | |||||
Column diameter (mm) | 0.2 | 0.32 | 0.32 | 0.32 | 0.25 |
Phase thickness (μm) | 0.5 | 0.25 | 0.25 | 0.25 | 0.25 |
Tstart (C) | 60. | 40. | 40. | 40. | 60. |
Tend (C) | 220. | 230. | 230. | 290. | 250. |
Heat rate (K/min) | 2. | 6. | 6. | 7. | 4. |
Initial hold (min) | 2. | 2. | 2. | ||
Final hold (min) | 40. | 10. | 10. | 20. | |
I | 862. | 903. | 903. | 904. | 905. |
Reference | Valette, Fernandez, et al., 2003 | Czerny and Schieberle, 2002 | Czerny and Schieberle, 2002 | Lin, Rouseff, et al., 2002 | Pino, Marbot, et al., 2002 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-5 | DB-5MS | AT-1 | DB-5MS | DB-5MS |
Column length (m) | 30. | 30. | 60. | 30. | |
Carrier gas | He | He | He | He | He |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.53 | 0.25 | 0.32 | |
Phase thickness (μm) | 0.25 | 1.5 | 0.25 | 0.25 | |
Tstart (C) | 40. | 40. | 50. | 40. | 40. |
Tend (C) | 230. | 225. | 300. | 200. | 195. |
Heat rate (K/min) | 6. | 6. | 10. | 2. | 5. |
Initial hold (min) | 2. | 5. | 2. | 5. | 5. |
Final hold (min) | 5. | 30. | 30. | 40. | |
I | 906. | 911. | 879. | 907. | 911. |
Reference | Sanz, Czerny, et al., 2002 | Cadwallader and Heo, 2001 | Kelling, 2001 | Lee, Suriyaphan, et al., 2001 | Suriyaphan, Drake, 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 | HP-5 | DB-5 | DB-5 | DB-1 |
Column length (m) | 30. | 60. | 30. | 30. | 25. |
Carrier gas | He | He | H2 | H2 | He |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.32 | 0.32 | 0.25 |
Phase thickness (μm) | 0.25 | 1. | 0.5 | 0.5 | 0.13 |
Tstart (C) | 40. | 40. | 60. | 60. | 60. |
Tend (C) | 230. | 240. | 245. | 245. | 200. |
Heat rate (K/min) | 6. | 3. | 3. | 3. | 4. |
Initial hold (min) | 2. | 3. | 3. | 2. | |
Final hold (min) | 5. | 20. | 20. | ||
I | 909. | 908. | 905. | 905. | 900. |
Reference | Czerny and Grosch, 2000 | García, Martín, et al., 2000 | Kotseridis and Baumes, 2000 | Kotseridis and Baumes, 2000 | Rapior, Konska, et al., 2000 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-1 | DB-5 | DB-5 MS | OV-101 | DB-1 |
Column length (m) | 60. | 60. | 10. | 60. | |
Carrier gas | Helium | Helium | |||
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.25 | 0.25 | |
Phase thickness (μm) | 0.25 | 0.25 | 0.52 | ||
Tstart (C) | 30. | 34. | 40. | 35. | 30. |
Tend (C) | 200. | 200. | 200. | 225. | 200. |
Heat rate (K/min) | 4. | 5. | 3. | 6. | 4. |
Initial hold (min) | 25. | 3. | 5. | 3. | 25. |
Final hold (min) | 30. | 10. | 30. | 20. | |
I | 861. | 898. | 905. | 863. | 861. |
Reference | Buttery, Orts, et al., 1999 | Schlüter, Steinhart, et al., 1999 | Suriyaphan, Drake, et al., 1999 | Deibler, Acree, 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 | Ultra 1 | SE-54 | SE-54 | SE-54 | DB-1 |
Column length (m) | 50. | 30. | 30. | 30. | 60. |
Carrier gas | Helium | He | |||
Substrate | |||||
Column diameter (mm) | 0.20 | 0.52 | 0.52 | 0.52 | 0.25 |
Phase thickness (μm) | 0.33 | 1.5 | 1.5 | 1.5 | |
Tstart (C) | 30. | 5. | 5. | 5. | 30. |
Tend (C) | 250. | 230. | 230. | 230. | 200. |
Heat rate (K/min) | 1.7 | 6. | 6. | 6. | 4. |
Initial hold (min) | 1. | 25. | |||
Final hold (min) | 20. | ||||
I | 864. | 908. | 908. | 908. | 856. |
Reference | Farkas, Sádecká, et al., 1997 | Milo and Grosch, 1996 | Milo and Grosch, 1996 | Milo and Grosch, 1996 | Buttery and Ling, 1995 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | RTX-5 | RTX-5 | DB-1 | DB-1 | DB-1 |
Column length (m) | 30. | 30. | 60. | 60. | 60. |
Carrier gas | He | He | He | He | He |
Substrate | |||||
Column diameter (mm) | 0.52 | 0.52 | 0.25 | 0.32 | 0.32 |
Phase thickness (μm) | 1.5 | 1.5 | 1. | 0.25 | |
Tstart (C) | 5. | 5. | 40. | 30. | 60. |
Tend (C) | 230. | 230. | 260. | 200. | 220. |
Heat rate (K/min) | 6. | 6. | 2. | 4. | 3. |
Initial hold (min) | 5. | 25. | |||
Final hold (min) | 60. | 20. | |||
I | 908. | 908. | 875. | 856. | 872. |
Reference | Milo and Grosch, 1995 | Milo and Grosch, 1995 | Yu and Ho, 1995 | Buttery, Stern, et al., 1994 | Güntert, Bertram, et al., 1992 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Packed | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HG-5 | OV-101 | SE-54 | DB-1 | DB-1 |
Column length (m) | 50. | 50. | 3. | 60. | 60. |
Carrier gas | He | He | He | ||
Substrate | Chromosorb G AW DMCS (100-120 mesh) | ||||
Column diameter (mm) | 0.32 | 0.32 | 0.25 | 0.32 | |
Phase thickness (μm) | 0.52 | 0.5 | 0.25 | ||
Tstart (C) | 35. | 50. | 50. | 30. | 50. |
Tend (C) | 250. | 250. | 230. | 200. | 250. |
Heat rate (K/min) | 3. | 4. | 6. | 4. | 4. |
Initial hold (min) | 15. | 2. | 25. | ||
Final hold (min) | 45. | 10. | 5. | ||
I | 911. | 874. | 908. | 856. | 861. |
Reference | Drumm and Spanier, 1991 | Misharina, Golovnya, et al., 1991 | Schieberle, 1991 | Buttery, Teranishi, et al., 1990 | Flath, Matsumoto, et al., 1989 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary |
---|---|---|
Active phase | DB-1 | DB-5 |
Column length (m) | 60. | 30. |
Carrier gas | Hydrogen | |
Substrate | ||
Column diameter (mm) | 0.32 | 0.35 |
Phase thickness (μm) | 0.25 | 1.0 |
Tstart (C) | 50. | 45. |
Tend (C) | 250. | 220. |
Heat rate (K/min) | 4. | 2. |
Initial hold (min) | ||
Final hold (min) | ||
I | 862. | 918. |
Reference | Flath, Matsumoto, et al., 1989 | Georgilopoulos and Gallois, 1988 |
Comment | 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.
Leffingwell and Alford, 2011
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Chen, Song, et al., 2009
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Aroma-active aompounds of Beijing roast duck,
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Kim and Chung, 2009
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GC-MS analysis of the volatile components in dried boxthorn (Lycium chimensis) Fruit,
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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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Aroma composition changes in early season grapefruit juice produced from thermal concentration,
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Pino, Marbot, et al., 2002
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Notes
Go To: Top, Normal alkane RI, non-polar column, temperature ramp, References
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