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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Normal alkane RI, 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 | HP-FFAP | HP-Innowax | ZB-Wax | CP-Wax 52CB | CP-Wax 52CB |
Column length (m) | 25. | 60. | 60. | 60. | 60. |
Carrier gas | Helium | Helium | Helium | He | He |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.25 | 0.32 | 0.32 | 0.32 |
Phase thickness (μm) | 0.50 | 0.25 | 0.50 | 0.5 | 0.5 |
Tstart (C) | 45. | 60. | 40. | 40. | 40. |
Tend (C) | 220. | 220. | 220. | 220. | 220. |
Heat rate (K/min) | 15. | 3. | 4. | 4. | 4. |
Initial hold (min) | 1. | 5. | 8. | 8. | |
Final hold (min) | 5. | 5. | 20. | 20. | |
I | 920. | 920. | 930. | 917. | 905. |
Reference | Wanakhachornkrai and Lertsiri, 9999 | Feng, Zhuang, et al., 2011 | Marin, Pozrl, et al., 2008 | Povolo, Contarini, et al., 2007 | Povolo, Contarini, et al., 2007 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-Wax | DB-Wax | DB-Wax | TC-Wax | HP-Innowax |
Column length (m) | 30. | 30. | 30. | 60. | 30. |
Carrier gas | He | N2 | N2 | He | |
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 | 0.25 |
Tstart (C) | 40. | 40. | 40. | 70. | 40. |
Tend (C) | 230. | 200. | 230. | 220. | 240. |
Heat rate (K/min) | 4. | 8. | 4. | 3. | 5. |
Initial hold (min) | 2. | 3. | 2. | 5. | |
Final hold (min) | 15. | 20. | 5. | 40. | 15. |
I | 911. | 907. | 917. | 922. | 906. |
Reference | Fan and Qian, 2006 | Schirack, Drake, et al., 2006 | Fan and Qian, 2005 | Ishizaki, Tachihara, et al., 2005 | Isogai, Utsunomiya, et al., 2005 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-Wax | Supelcowax-10 | Supelcowax-10 | TC-Wax | HP-Wax |
Column length (m) | 60. | 60. | 60. | 60. | 60. |
Carrier gas | Nitrogen | He | He | He | He |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.53 | 0.53 | 0.25 | 0.25 |
Phase thickness (μm) | 0.50 | 1. | 1. | 0.5 | 0.5 |
Tstart (C) | 35. | 40. | 40. | 40. | 40. |
Tend (C) | 235. | 240. | 240. | 230. | 199. |
Heat rate (K/min) | 2. | 4. | 4. | 3. | 3. |
Initial hold (min) | 4. | 2. | 2. | 8. | 6. |
Final hold (min) | 30. | 20. | 20. | ||
I | 925. | 925. | 926. | 921. | 880. |
Reference | Qian and Wang, 2005 | Rochat and Chaintreau, 2005 | Rochat and Chaintreau, 2005 | Ishikawa, Ito, et al., 2004 | Andueza, Maeztu, et al., 2003 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP-Wax | Supelcowax-10 | Supelcowax-10 | HP-FFAP | TC-Wax |
Column length (m) | 60. | 30. | 30. | 25. | 60. |
Carrier gas | He | He | He | He | He |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.32 | 0.25 |
Phase thickness (μm) | 0.5 | 0.25 | 0.25 | 0.5 | 0.25 |
Tstart (C) | 40. | 40. | 40. | 45. | 50. |
Tend (C) | 190. | 200. | 200. | 220. | 230. |
Heat rate (K/min) | 3. | 3. | 3. | 15. | 2. |
Initial hold (min) | 6. | 10. | 10. | ||
Final hold (min) | |||||
I | 880. | 915. | 913. | 920. | 926. |
Reference | Andueza, de Peña, et al., 2003 | Vichi, Castellote, et al., 2003 | Vichi, Pizzale, et al., 2003 | Wanakhachornkrai and Lertsiri, 2003 | Fukami, Ishiyama, et al., 2002 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-Wax | HP-Wax | TC-Wax | EC-1000 | DB-Wax |
Column length (m) | 60. | 60. | 60. | 30. | 30. |
Carrier gas | He | He | He | He | He |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.53 |
Phase thickness (μm) | 0.25 | 0.5 | 0.25 | 0.25 | 1. |
Tstart (C) | 40. | 40. | 40. | 35. | 40. |
Tend (C) | 220. | 190. | 230. | 230. | 225. |
Heat rate (K/min) | 3. | 3. | 3. | 5. | 6. |
Initial hold (min) | 10. | 6. | 10. | 5. | 5. |
Final hold (min) | 10. | 10. | 15. | 30. | |
I | 910. | 880. | 913. | 920. | 906. |
Reference | Hayata, Sakamoto, et al., 2002 | Sanz, Maeztu, et al., 2002 | Suhardi, Suzuki, et al., 2002 | Bendall, 2001 | Cadwallader and Heo, 2001 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP-Wax | HP-Wax | Supelcowax-10 | DB-Wax | DB-Wax |
Column length (m) | 60. | 60. | 60. | 60. | 30. |
Carrier gas | He | He | He | ||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.32 | 0.53 |
Phase thickness (μm) | 0.5 | 0.5 | 0.25 | ||
Tstart (C) | 40. | 40. | 35. | 30. | 60. |
Tend (C) | 190. | 190. | 200. | 170. | 210. |
Heat rate (K/min) | 3. | 3. | 4. | 2. | 4. |
Initial hold (min) | 6. | 6. | 10. | 4. | |
Final hold (min) | 60. | ||||
I | 880. | 880. | 914. | 912. | 903. |
Reference | Maeztu, Sanz, et al., 2001 | Sanz, Ansorena, et al., 2001 | Girard and Durance, 2000 | Buttery, Orts, et al., 1999 | Iwatsuki, Mizota, et al., 1999 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary |
---|---|---|---|
Active phase | DB-Wax | DB-Wax | Carbowax 20M |
Column length (m) | 60. | 30. | 150. |
Carrier gas | |||
Substrate | |||
Column diameter (mm) | 0.25 | 0.25 | 0.64 |
Phase thickness (μm) | 0.25 | ||
Tstart (C) | 30. | 20. | 50. |
Tend (C) | 170. | 230. | 170. |
Heat rate (K/min) | 2. | 5. | 1. |
Initial hold (min) | 4. | 1. | 30. |
Final hold (min) | 30. | 60. | |
I | 912. | 899. | 904. |
Reference | Buttery and Ling, 1998 | Christensen and Reineccius, 1995 | Buttery, Ling, et al., 1983 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane RI, 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.
Wanakhachornkrai and Lertsiri, 9999
Wanakhachornkrai, P.; Lertsiri, S.,
Comparison of determination method for volatile compounds in Thai soy sauce,
Analytical, Nutritional and Clinical Methods, 9999, 1-11. [all data]
Feng, Zhuang, et al., 2011
Feng, T.; Zhuang, H.; Ye, R.; Jin, Z.; Xu, X.; Xie, Z.,
Analysis of volatile compounds of Mesona Blumes gum/rice extrudates via GC-MS and electronic nose,
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Marin, Pozrl, et al., 2008
Marin, K.; Pozrl, T.; Zlatic, E.; Plestenjak, A.,
A new aroma index to determine the aroma quality of roasted and ground coffee during storage,
Food Technol. Biotechnol., 2008, 46, 4, 442-447. [all data]
Povolo, Contarini, et al., 2007
Povolo, M.; Contarini, G.; Mele, M.; Secchiari, P.,
Study on the influence of pasture on volatile fraction of Ewes' dairy products by solid-phase microextraction and gas chromatography-mass spectrometry,
J. Dairy Sci., 2007, 90, 2, 556-569, https://doi.org/10.3168/jds.S0022-0302(07)71539-4
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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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Schirack, Drake, et al., 2006
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Characterization of aroma-active compounds in microwave blanched peanuts,
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Fan and Qian, 2005
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Headspace Solid Phase Microextraction and Gas Chromatography-Olfactometry Dilution Analysis of Young and Aged Chinese Yanghe Daqu Liquors,
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Ishizaki, Tachihara, et al., 2005
Ishizaki, S.; Tachihara, T.; Tamura, H.; Yanai, T.; Kitahara, T.,
Evaluation of odour-active compounds in roasted shrimp (Sergia lucens Hansen) by aroma extract dilution analysis,
Flavour Fragr. J., 2005, 20, 6, 562-566, https://doi.org/10.1002/ffj.1484
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Isogai, Utsunomiya, et al., 2005
Isogai, A.; Utsunomiya, H.; Kanda, R.; Iwata, H.,
Changes in the Aroma Compounds of Sake during Aging,
J. Agric. Food Chem., 2005, 53, 10, 4118-4123, https://doi.org/10.1021/jf047933p
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Qian and Wang, 2005
Qian, M.C.; Wang, Y.,
Seasonal Variations of Volatile Composition and Odor Activity Value of Marion (Rubus spp. hyb) and Thornless Evergreen (R.laciniatus L.) Blackberries,
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Rochat and Chaintreau, 2005
Rochat, S.; Chaintreau, A.,
Carbonyl Odorants Contributing to the In-Oven Roast Beef Top Note,
J. Agric. Food Chem., 2005, 53, 24, 9578-9585, https://doi.org/10.1021/jf058089l
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Ishikawa, Ito, et al., 2004
Ishikawa, M.; Ito, O.; Ishizaki, S.; Kurobayashi, Y.; Fujita, A.,
Solid-phase aroma concentrate extraction (SPACE ): a new headspace technique for more sensitive analysis of volatiles,
Flavour Fragr. J., 2004, 19, 3, 183-187, https://doi.org/10.1002/ffj.1322
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Andueza, Maeztu, et al., 2003
Andueza, S.; Maeztu, L.; Pascual, L.; Ibanez, C.; de Pena M.P.; Cid, C.,
Influence of extraction temperature on the final quality of espresso coffee,
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Andueza, de Peña, et al., 2003
Andueza, S.; de Peña, M.P.; Cid, C.,
Chemical and sensorial characteristics of espresso coffee as affected by grinding and torrefacto roast,
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Vichi, Castellote, et al., 2003
Vichi, S.; Castellote, A.I.; Pizzale, L.; Conte, L.S.; Buxaderas, S.; López-Tamames, E.,
Analysis of virgin olive oil volatile compounds by headspace solid-phase microextraction coupled to gas chromatography with mass spectrometric and flame ionization detection,
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Vichi, Pizzale, et al., 2003
Vichi, S.; Pizzale, L.; Conte, L.S.; Buxaderas, S.; López-Tamames, E.,
Solid-phase microextraction in the analysis of virgin olive oil volatile fraction: characterization of virgin olive oils from two distinct geographical areas of Northern Italy,
J. Agric. Food Chem., 2003, 51, 22, 6572-6577, https://doi.org/10.1021/jf030269c
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Wanakhachornkrai and Lertsiri, 2003
Wanakhachornkrai, P.; Lertsiri, S.,
Analytical, nutritional, and clinical methods. Comparison of determination method for volatile compounds in Thai soy sauce,
Food Chem., 2003, 83, 4, 619-629, https://doi.org/10.1016/S0308-8146(03)00256-5
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Fukami, Ishiyama, et al., 2002
Fukami, K.; Ishiyama, S.; Yaguramaki, H.; Masuzawa, T.; Nabeta, Y.; Endo, K.; Shimoda, M.,
Identification of distinctive volatile compounds in fish sauce,
J. Agric. Food Chem., 2002, 50, 19, 5412-5416, https://doi.org/10.1021/jf020405y
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Hayata, Sakamoto, et al., 2002
Hayata, Y.; Sakamoto, T.; Kozuka, H.; Sakamoto, K.; Osajima, Y.,
Analysis of aromatic volatile compounds in 'Miyabi' melon (Cucumis melo L.) using the Porapak Q column,
J. Jpn. Soc. Hortic. Sci., 2002, 71, 4, 517-525, https://doi.org/10.2503/jjshs.71.517
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Sanz, Maeztu, et al., 2002
Sanz, C.; Maeztu, L.; Zapelena, M.J.; Bello, J.; Cid, C.,
Profiles of volatile compounds and sensory analysis of three blends of coffee: influence of different proportions of Arabica and Robusta and influence of roasting coffee with sugar,
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Suhardi, Suzuki, et al., 2002
Suhardi, S.; Suzuki, M.; Yoshida, K.; Muto, T.; Fujita, A.; Watanbe, N.,
Changes in the volatile compounds and in the chemical and physical properties of snake fruit (Salacca edulis Reinw) Cv. Pondoh during maturation,
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Bendall, 2001
Bendall, J.G.,
Aroma compounds of fresh milk from New Zealand cows fed different diets,
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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,
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Maeztu, Sanz, et al., 2001
Maeztu, L.; Sanz, C.; Andueza, S.; de Peña, M.P.; Bello, J.; Cid, C.,
Characterization of espresso coffee aroma by static headspace GC-MS and sensory flavor profile,
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Sanz, Ansorena, et al., 2001
Sanz, C.; Ansorena, D.; Bello, J.; Cid, C.,
Optimizing headspace temperature and time sampling for identification of volatile compounds in ground roasted Arabica coffee,
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Girard and Durance, 2000
Girard, B.; Durance, T.,
Headspace volatiles of sockeye and pink salmon as affected by retort process,
Food Chem. Toxicol., 2000, 65, 1, 34-39. [all data]
Buttery, Orts, et al., 1999
Buttery, R.G.; Orts, W.J.; Takeoka, G.R.; Nam, Y.,
Volatile flavor components of rice cakes,
J. Agric. Food Chem., 1999, 47, 10, 4353-4356, https://doi.org/10.1021/jf990140w
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Iwatsuki, Mizota, et al., 1999
Iwatsuki, K.; Mizota, Y.; Kubota, T.; Nishimura, O.; Masuda, H.; Sotoyama, K.; Tomita, M.,
Aroma extract dilution analysis. Evluation of aroma of pasteurized and UHT processed milk by aroma extract dilution analysis,
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Buttery and Ling, 1998
Buttery, R.G.; Ling, L.C.,
Additional studies on flavor components of corn tortilla chips,
J. Agric. Food Chem., 1998, 46, 7, 2764-2769, https://doi.org/10.1021/jf980125b
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Christensen and Reineccius, 1995
Christensen, K.R.; Reineccius, G.A.,
Aroma extract dilution analysis of aged cheddar cheese,
J. Food Sci., 1995, 60, 2, 218-220, https://doi.org/10.1111/j.1365-2621.1995.tb05641.x
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Buttery, Ling, et al., 1983
Buttery, R.G.; Ling, L.C.; Teranishi, R.; Mon, T.R.,
Insect attractants: volatiles of hydrolizyed protein insect baits,
J. Agric. Food Chem., 1983, 31, 4, 689-692, https://doi.org/10.1021/jf00118a003
. [all data]
Notes
Go To: Top, Normal alkane RI, 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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