Propanal, 2-methyl-
- Formula: C4H8O
- Molecular weight: 72.1057
- IUPAC Standard InChIKey: AMIMRNSIRUDHCM-UHFFFAOYSA-N
- CAS Registry Number: 78-84-2
- 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: Isobutyraldehyde; α-Methylpropionaldehyde; Isobutanal; Isopropylaldehyde; Isopropylformaldehyde; 2-Methylpropanal; 2-Methylpropionaldehyde; iso-C3H7CHO; Isobutylaldehyde; Isobutyric aldehyde; 2-Methyl-1-propanal; Isobutyraldehyd; Propionaldehyde, 2-methyl-; Valine aldehyde; Isobutaldehyde; Isobutyryl aldehyde; Methyl propanal; NCI-C60968; UN 2045; Isobutyral; NSC 6739; 2-methylpropanal (isobutanal)
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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 | VF-5 MS | VF-5 MS | DB-5 MS | RTX-5 | DB-5 |
Column length (m) | 60. | 60. | 30. | 60. | 60. |
Carrier gas | Helium | Helium | Helium | Helium | |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.25 | 0.32 | 0.32 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 1. | 1.0 |
Tstart (C) | 30. | 30. | 40. | 40. | 35. |
Tend (C) | 260. | 260. | 250. | 205. | 240. |
Heat rate (K/min) | 2. | 2. | 4. | 4. | 15. |
Initial hold (min) | 2. | 5. | 7. | ||
Final hold (min) | 28. | 28. | 2. | 5. | 10. |
I | 554. | 558. | 548. | 551. | 540. |
Reference | Leffingwell and Alford, 2011 | Leffingwell and Alford, 2011 | Su, Wang, et al., 2009 | Berdague, Tournayre, et al., 2007 | Gogus, Ozel, et al., 2007 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | 5 % Phenyl methyl siloxane | SPB-5 | SPB-5 | SPB-5 | DB-5 |
Column length (m) | 30. | 60. | 60. | 60. | 60. |
Carrier gas | He | He | |||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.32 | 0.32 | 0.32 | 0.32 |
Phase thickness (μm) | 1. | 1. | 1. | 1. | |
Tstart (C) | 40. | 40. | 40. | 40. | 50. |
Tend (C) | 250. | 230. | 230. | 230. | 250. |
Heat rate (K/min) | 7. | 3. | 3. | 3. | 4. |
Initial hold (min) | 10. | 5. | 5. | 5. | 5. |
Final hold (min) | 5. | 5. | 5. | 5. | |
I | 553. | 555. | 555. | 555. | 595. |
Reference | Ramirez R. and Cava R., 2007 | Vasta, Ratel, et al., 2007 | Vasta, Ratel, et al., 2007 | Vasta, Ratel, et al., 2007 | Fadel, Mageed, 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 | MDN-5 | MDN-5 |
Column length (m) | 30. | 30. | 60. | 60. | 60. |
Carrier gas | He | N2 | He | He | He |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.32 | 0.25 | 0.25 |
Phase thickness (μm) | 1. | 0.25 | 0.25 | 0.25 | 0.25 |
Tstart (C) | 40. | 40. | 30. | 40. | 40. |
Tend (C) | 250. | 250. | 260. | 270. | 270. |
Heat rate (K/min) | 4. | 4. | 2. | 4. | 4. |
Initial hold (min) | 2. | 2. | 2. | 4. | 4. |
Final hold (min) | 15. | 5. | 28. | 5. | 5. |
I | 534. | 534. | 556.0 | 554. | 550. |
Reference | Fan and Qian, 2006 | Fan and Qian, 2005 | Leffingwell and Alford, 2005 | van Loon, Linssen, et al., 2005 | van Loon, Linssen, et al., 2005 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-5MS | AT-1 | RSL-200 | HP-5 | OV-101 |
Column length (m) | 30. | 30. | 60. | 50. | |
Carrier gas | He | He | H2 | He | Nitrogen |
Substrate | |||||
Column diameter (mm) | 0.53 | 0.32 | 0.32 | 0.25 | |
Phase thickness (μm) | 1.5 | 0.25 | 1. | ||
Tstart (C) | 40. | 50. | 40. | 40. | 40. |
Tend (C) | 225. | 300. | 280. | 240. | 200. |
Heat rate (K/min) | 6. | 10. | 6. | 3. | 2. |
Initial hold (min) | 5. | 2. | 5. | 10. | |
Final hold (min) | 30. | 5. | |||
I | 560. | 582. | 552. | 553. | 532. |
Reference | Cadwallader and Heo, 2001 | Kelling, 2001 | Ngassoum, Jirovetz, et al., 2001 | García, Martín, et al., 2000 | Tamura, Boonbumrung, et al., 2000 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | SPB-5 | CBP-1 | DB-1 | SE-54 | RTX-5 |
Column length (m) | 50. | 30. | 60. | 25. | 30. |
Carrier gas | He | He | He | He | |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.25 | 0.25 | 0.2 | 0.52 |
Phase thickness (μm) | 0.25 | 0.5 | 1.5 | ||
Tstart (C) | 60. | 60. | 30. | 35. | 5. |
Tend (C) | 240. | 240. | 200. | 250. | 230. |
Heat rate (K/min) | 3. | 4. | 4. | 5. | 6. |
Initial hold (min) | 25. | 2. | |||
Final hold (min) | 20. | 20. | |||
I | 591. | 535. | 550. | 582. | 550. |
Reference | Doneanu and Anitescu, 1998 | Lamarque, Maestri, et al., 1998 | Buttery, Ling, et al., 1997 | Bellesia, Pinetti, et al., 1996 | Milo and Grosch, 1995 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | RTX-5 | OV-101 | DB-1 | DB-1 | OV-101 |
Column length (m) | 30. | 50. | 60. | 60. | 50. |
Carrier gas | He | He | He | ||
Substrate | |||||
Column diameter (mm) | 0.52 | 0.32 | 0.32 | 0.32 | 0.31 |
Phase thickness (μm) | 1.5 | 0.5 | 0.25 | 0.25 | |
Tstart (C) | 5. | 50. | 50. | 50. | 0. |
Tend (C) | 230. | 250. | 250. | 250. | 225. |
Heat rate (K/min) | 6. | 4. | 4. | 4. | 3. |
Initial hold (min) | 1. | ||||
Final hold (min) | |||||
I | 550. | 540. | 531. | 531. | 532. |
Reference | Milo and Grosch, 1995 | Misharina, Golovnya, et al., 1991 | Flath, Matsumoto, et al., 1989 | Flath, Matsumoto, et al., 1989 | del Rosario, de Lumen, et al., 1984 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary |
---|---|
Active phase | SF96+Igepal |
Column length (m) | 213. |
Carrier gas | |
Substrate | |
Column diameter (mm) | 0.7 |
Phase thickness (μm) | |
Tstart (C) | 45. |
Tend (C) | 200. |
Heat rate (K/min) | 2. |
Initial hold (min) | 30. |
Final hold (min) | |
I | 534. |
Reference | Lorenz, Stern, et al., 1983 |
Comment | 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
Leffingwell, J.; Alford, E.D.,
Volatile constituents of the giant pufball mushroom (Calvatia gigantea),
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Su, Wang, et al., 2009
Su, Y.; Wang, C.; Yinlong, G.,
Analysis of volatile compounds from Mentha hapioealyx Briq. by GC-MS based on accurate mass measurements and retention indices,
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Berdague, Tournayre, et al., 2007
Berdague, J.L.; Tournayre, P.; Cambou, S.,
Novel multi-gas chromatography?olfactometry device and software for the identification of odour-active compounds,
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Gogus, Ozel, et al., 2007
Gogus, F.; Ozel, M.Z.; Lewis, A.C.,
The Effect of Various Drying Techniques on Apricot Volatiles Analysed Using Direct Desorption-GC-TOF/MS,
Talanta, 2007, 73, 2, 321-325, https://doi.org/10.1016/j.talanta.2007.03.048
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Ramirez R. and Cava R., 2007
Ramirez R.; Cava R.,
Volatile profiles of dry-cured meat products from three different Iberian x Duroc genotypes,
J. Agric. Food Chem., 2007, 55, 5, 1923-1931, https://doi.org/10.1021/jf062810l
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Vasta, Ratel, et al., 2007
Vasta, V.; Ratel, J.; Engel, E.,
Mass Spectrometry Analysis of Volatile Compounds in Raw Meat for the Authentication of the Feeding Background of Farm Animals,
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Fadel, Mageed, et al., 2006
Fadel, H.H.M.; Mageed, M.A.A.; Samad, A.K.M.E.A.; Lotfy, S.N.,
Cocoa substitute: Evaluation of sensory qualities and flavour stability,
Eur. Food Res. Technol., 2006, 223, 1, 125-131, https://doi.org/10.1007/s00217-005-0162-3
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Fan and Qian, 2006
Fan, W.; Qian, M.C.,
Characterization of Aroma Compounds of Chinese Wuliangye and Jiannanchun Liquors by Aroma Extract Dilution Analysis,
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Fan and Qian, 2005
Fan, W.; Qian, M.C.,
Headspace Solid Phase Microextraction and Gas Chromatography-Olfactometry Dilution Analysis of Young and Aged Chinese Yanghe Daqu Liquors,
J. Agric. Food Chem., 2005, 53, 20, 7931-7938, https://doi.org/10.1021/jf051011k
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Leffingwell and Alford, 2005
Leffingwell, J.C.; Alford, E.D.,
Volatile constituents of Perique tobacco,
Electron. J. Environ. Agric. Food Chem., 2005, 4, 2, 899-915. [all data]
van Loon, Linssen, et al., 2005
van Loon, W.A.M.; Linssen, J.P.H.; Legger, A.; Posthumus, M.A.; Voragen, A.G.J.,
Identification and olfactometry of French fries flavour extracted at mouth conditions,
Food Chem., 2005, 90, 3, 417-425, https://doi.org/10.1016/j.foodchem.2004.05.005
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Cadwallader and Heo, 2001
Cadwallader, K.R.; Heo, J.,
Aroma of roasted sesame oil: characterization by direct thermal desorption-gas chromatography-olfactometry and sample dilution analysis,
Am. Chem. Soc. Symp. Ser., 2001, 782, 187-202. [all data]
Kelling, 2001
Kelling, F.J.,
Olfaction in houseflies: morphology and electrophysiology. Chapter 7. Chemical and electrophysiological analysis of components, present in natural products that attract houseflies, Dissertation, University of Groningen, The Netherlands, 2001. [all data]
Ngassoum, Jirovetz, et al., 2001
Ngassoum, M.B.; Jirovetz, L.; Buchbauer, G.,
SPME/GC/MS analysis of headspace aroma compounds of the Cameroonian fruit Tetrapleura tetraptera (Thonn.) Taub.,
Eur. Food Res. Technol., 2001, 213, 1, 18-21, https://doi.org/10.1007/s002170100330
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García, Martín, et al., 2000
García, C.; Martín, A.; Timón, M.L.; Córdoba, J.J.,
Microbial populations and volatile compounds in the 'bone taint' spoilage of dry cured ham,
Lett. Appl. Microbiol., 2000, 30, 1, 61-66, https://doi.org/10.1046/j.1472-765x.2000.00663.x
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Tamura, Boonbumrung, et al., 2000
Tamura, H.; Boonbumrung, S.; Yoshizawa, T.; Varanyanond, W.,
Volatile components of the essential oil in the pulp of four yellow mangoes (Mangifera indica L.) in Thailand,
Food Sci. Technol. Res., 2000, 6, 1, 68-73, https://doi.org/10.3136/fstr.6.68
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Doneanu and Anitescu, 1998
Doneanu, C.; Anitescu, G.,
Supercritical carbon dioxide extraction of Angelica archangelica L. root oil,
J. Supercrit. Fluids, 1998, 12, 1, 59-67, https://doi.org/10.1016/S0896-8446(97)00040-5
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Lamarque, Maestri, et al., 1998
Lamarque, A.L.; Maestri, D.M.; Zygadlo, J.A.; Grosso, N.R.,
Volatile constituents from flowers of Acacia caven (Mol.) Mol. var. caven, Acacia aroma Gill. ex Hook., Erythrina crista-galli L. and Calliandra tweedii Benth.,
Flavour Fragr. J., 1998, 13, 4, 266-268, https://doi.org/10.1002/(SICI)1099-1026(1998070)13:4<266::AID-FFJ739>3.0.CO;2-5
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Buttery, Ling, et al., 1997
Buttery, R.G.; Ling, L.C.; Stern, D.J.,
Studies on popcorn aroma and flavor volatiles,
J. Agric. Food Chem., 1997, 45, 3, 837-843, https://doi.org/10.1021/jf9604807
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Bellesia, Pinetti, et al., 1996
Bellesia, F.; Pinetti, A.; Bianchi, A.; Tirillini, B.,
Volatile compounds of the white truffle (Tuber magnaturn Pico) from middle Italy,
Flavour Fragr. J., 1996, 11, 4, 239-243, https://doi.org/10.1002/(SICI)1099-1026(199607)11:4<239::AID-FFJ573>3.0.CO;2-A
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Milo and Grosch, 1995
Milo, C.; Grosch, W.,
Detection of odor defects in boiled cod and trout by gas chromatography-olfactometry of headspace samples,
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Misharina, Golovnya, et al., 1991
Misharina, T.A.; Golovnya, R.V.; Charnomskii, V.V.,
Volatile components of boiled shrimp funchalia woodwardi and crab geryon maritae,
Zh. Anal. Khim., 1991, 46, 1421-1429. [all data]
Flath, Matsumoto, et al., 1989
Flath, R.A.; Matsumoto, K.E.; Binder, R.G.; Cunningham, R.T.; Mon, T.R.,
Effect of pH on the volatiles of hydrolyzed protein insect baits,
J. Agric. Food Chem., 1989, 37, 3, 814-819, https://doi.org/10.1021/jf00087a053
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del Rosario, de Lumen, et al., 1984
del Rosario, R.; de Lumen, B.O.; Habu, T.; Flath, R.A.; Mon, T.R.; Teranishi, R.,
Comparison of headspace volatiles from winged beans and soybeans,
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Lorenz, Stern, et al., 1983
Lorenz, G.; Stern, D.J.; Flath, R.A.; Haddon, W.F.; Tillin, S.J.; Teranishi, R.,
Identification of sheep liver volatiles,
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. [all data]
Notes
Go To: Top, Normal alkane 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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