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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Van Den Dool and Kratz 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 | SPB-5 | DB-5 | SPB-5 | CP-Sil 8CB-MS | CP-Sil 8CB-MS |
Column length (m) | 60. | 30. | 60. | 0. | 60. |
Carrier gas | He | He | |||
Substrate | |||||
Column diameter (mm) | 0.32 | 0.25 | 0.32 | 0.25 | 0.25 |
Phase thickness (μm) | 1. | 1. | 1. | 0.25 | 0.25 |
Tstart (C) | 40. | 50. | 40. | 40. | 40. |
Tend (C) | 230. | 290. | 230. | 280. | 280. |
Heat rate (K/min) | 3. | 10. | 3. | 4. | 4. |
Initial hold (min) | 2. | 1. | 5. | 2. | 2. |
Final hold (min) | 10. | 10. | 5. | 5. | 5. |
I | 553. | 550. | 551. | 553. | 551. |
Reference | Engel and Ratel, 2007 | Bylaite and Meyer, 2006 | Deport, Ratel, et al., 2006 | Elmore, Cooper, et al., 2005 | Hierro, de la Hoz, et al., 2004 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP-5 | DB-5 | SPB-1 | DB-5MS | DB-5 |
Column length (m) | 30. | 15. | 30. | 60. | 30. |
Carrier gas | He | He | He | ||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.32 | 0.32 | 0.25 | 0.053 |
Phase thickness (μm) | 0.1 | 0.5 | 4. | 0.25 | 1.5 |
Tstart (C) | -30. | 30. | 45. | 40. | 0. |
Tend (C) | 250. | 225. | 240. | 200. | 230. |
Heat rate (K/min) | 10. | 10. | 5. | 2. | 6. |
Initial hold (min) | 1. | 2. | 13. | 5. | |
Final hold (min) | 5. | 20. | 5. | 30. | |
I | 552. | 546. | 531. | 537. | 556. |
Reference | Siegmund and Murkovic, 2004 | Zhou, Wintersteen, et al., 2002 | Larráyoz, Addis, et al., 2001 | Lee, Suriyaphan, et al., 2001 | Rychlik and Bosset, 2001 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary |
---|---|
Active phase | DB-1 |
Column length (m) | 60. |
Carrier gas | |
Substrate | |
Column diameter (mm) | 0.32 |
Phase thickness (μm) | 1. |
Tstart (C) | -50. |
Tend (C) | 180. |
Heat rate (K/min) | 6. |
Initial hold (min) | 4. |
Final hold (min) | |
I | 544. |
Reference | Kaiser and Siegl, 1994 |
Comment | MSDC-RI |
References
Go To: Top, Van Den Dool and Kratz 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.
Engel and Ratel, 2007
Engel, E.; Ratel, J.,
Correction of the data generated by mass spectrometry analyses of biological tissues: Application to food authentication,
J. Chromatogr. A, 2007, 1154, 1-2, 331-341, https://doi.org/10.1016/j.chroma.2007.02.012
. [all data]
Bylaite and Meyer, 2006
Bylaite, E.; Meyer, A.S.,
· Characterisation of volatile aroma compounds of orange juices by three dynamic and static headspace gas chromatography techniques,
Eur. Food Res. Technol., 2006, 222, 1-2, 176-184, https://doi.org/10.1007/s00217-005-0141-8
. [all data]
Deport, Ratel, et al., 2006
Deport, C.; Ratel, J.; Berdagué, J.-L.; Engel, E.,
Comprehensive combinatory standard correction: A calibration method for handling instrumental drifts of gas chromatography-mass spectrometry systems,
J. Chromatogr. A, 2006, 1116, 1-2, 248-258, https://doi.org/10.1016/j.chroma.2006.03.092
. [all data]
Elmore, Cooper, et al., 2005
Elmore, J.S.; Cooper, S.L.; Enser, M.; Mottram, D.S.; Sinclair, L.A.; Wilkinson, R.G.; Wood, J.D.,
Dietary manipulation of fatty acid composition in lamb meat and its effect on the volatile aroma compounds of grilled lamb,
Meat Sci., 2005, 69, 2, 233-242, https://doi.org/10.1016/j.meatsci.2004.07.002
. [all data]
Hierro, de la Hoz, et al., 2004
Hierro, E.; de la Hoz, L.; Ordóñez, J.A.,
Headspace volatile compounds from salted and occasionally smoked dried meats (cecinas) as affected by animal species,
Food Chem., 2004, 85, 4, 649-657, https://doi.org/10.1016/j.foodchem.2003.07.001
. [all data]
Siegmund and Murkovic, 2004
Siegmund, B.; Murkovic, M.,
Changes in chemical composition of pumpkin seeds during the roasting process for production of pumpkin seed oil (Part 2: volatile compounds),
Food Chem., 2004, 84, 3, 367-374, https://doi.org/10.1016/S0308-8146(03)00241-3
. [all data]
Zhou, Wintersteen, et al., 2002
Zhou, Q.; Wintersteen, C.L.; Cadwallader, K.R.,
Identification and quantification of aroma-active components that contribute to the distinct malty flavor of buckwheat honey,
J. Agric. Food Chem., 2002, 50, 7, 2016-2021, https://doi.org/10.1021/jf011436g
. [all data]
Larráyoz, Addis, et al., 2001
Larráyoz, P.; Addis, M.; Gauch, R.; Bosset, J.O.,
Comparison of dynamic headspace and simultaneous distillation extraction techniques used for the analysis of the volatile components in three European PDO ewes milk cheeses,
Int. Dairy J., 2001, 11, 11-12, 911-926, https://doi.org/10.1016/S0958-6946(01)00144-3
. [all data]
Lee, Suriyaphan, et al., 2001
Lee, G.-H.; Suriyaphan, O.; Cadwallader, K.R.,
Aroma components of cooked tail meat of American lobster (Homarus americanus),
J. Agric. Food Chem., 2001, 49, 9, 4324-4332, https://doi.org/10.1021/jf001523t
. [all data]
Rychlik and Bosset, 2001
Rychlik, M.; Bosset, J.O.,
Flavour and off-flavour compoundsof SwissGruy ere cheese. Evaluation of potent odorants,
Int. Dairy J., 2001, 11, 11-12, 895-901, https://doi.org/10.1016/S0958-6946(01)00108-X
. [all data]
Kaiser and Siegl, 1994
Kaiser, E.W.; Siegl, W.O.,
High resolution gas chromatographic determination of the atmospheric reactivity of engine-out hydrocarbon emissions from a spark-ignited engine,
J. Hi. Res. Chromatogr., 1994, 17, 4, 264-270, https://doi.org/10.1002/jhrc.1240170414
. [all data]
Notes
Go To: Top, Van Den Dool and Kratz 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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