Pentanal
- Formula: C5H10O
- Molecular weight: 86.1323
- IUPAC Standard InChIKey: HGBOYTHUEUWSSQ-UHFFFAOYSA-N
- CAS Registry Number: 110-62-3
- 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: Valeraldehyde; n-Pentanal; n-Valeraldehyde; Valeral; Valerianic aldehyde; Valeric acid aldehyde; Valeric aldehyde; Valeryl aldehyde; n-C4H9CHO; Amyl aldehyde; Butyl formal; UN 2058; n-Valeric aldehyde; 1-Pentanal; Pentan-1-al; NSC 35404; Pentylaldehyde; pentanal (valeraldehyde); valderaldehyde
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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 | 5 % Phenyl methyl siloxane |
Column length (m) | 60. | 60. | 60. | 0. | 30. |
Carrier gas | He | He | He | ||
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.32 | 0.25 | 0.25 |
Phase thickness (μm) | 1. | 1. | 1. | 0.25 | 1. |
Tstart (C) | 40. | 40. | 40. | 40. | 40. |
Tend (C) | 230. | 260. | 230. | 280. | 250. |
Heat rate (K/min) | 3. | 4. | 3. | 4. | 7. |
Initial hold (min) | 2. | 2. | 5. | 2. | 10. |
Final hold (min) | 10. | 10. | 5. | 5. | 5. |
I | 696. | 699. | 695. | 700. | 691. |
Reference | Engel and Ratel, 2007 | Methven L., Tsoukka M., et al., 2007 | Deport, Ratel, et al., 2006 | Elmore, Cooper, et al., 2005 | Estevez, Ventanas, 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 | HP-5 | CP-Sil 8CB-MS | HP-5 |
Column length (m) | 30. | 25. | 25. | 60. | 30. |
Carrier gas | He | He | He | ||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.2 | 0.2 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 1. | 1. | 0.25 | 1. |
Tstart (C) | 60. | 40. | 40. | 40. | -30. |
Tend (C) | 250. | 280. | 280. | 280. | 250. |
Heat rate (K/min) | 4. | 5. | 5. | 4. | 10. |
Initial hold (min) | 2. | 2. | 1. | ||
Final hold (min) | 20. | 5. | 5. | 5. | |
I | 698. | 722. | 722. | 705. | 697. |
Reference | Pino, Mesa, et al., 2005 | Solina, Baumgartner, et al., 2005 | Solina, Baumgartner, et al., 2005 | Hierro, de la Hoz, et al., 2004 | Siegmund, Derler, 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 | BPX-5 | CP Sil 8 CB | CP Sil 8 CB |
Column length (m) | 30. | 30. | 50. | 60. | 60. |
Carrier gas | He | He | He | ||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.32 | 0.25 | 0.25 |
Phase thickness (μm) | 0.1 | 1. | 0.5 | 0.25 | 0.25 |
Tstart (C) | -30. | 50. | 60. | 40. | 40. |
Tend (C) | 250. | 200. | 250. | 250. | 250. |
Heat rate (K/min) | 10. | 2.5 | 4. | 4. | 4. |
Initial hold (min) | 1. | 5. | 8. | 8. | |
Final hold (min) | 5. | 20. | 10. | 10. | |
I | 697. | 690.9 | 698. | 707. | 708. |
Reference | Siegmund and Murkovic, 2004 | Xu, van Stee, et al., 2003 | Bredie, Mottram, et al., 2002 | Duckham, Dodson, et al., 2002 | Duckham, Dodson, et al., 2002 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | CP Sil 8 CB | CP Sil 8 CB | CP Sil 5 CB | BPX-5 | CP-Sil 8CB-MS |
Column length (m) | 60. | 60. | 30. | 50. | 60. |
Carrier gas | He | He | H2 | He | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.32 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.5 | 0.25 |
Tstart (C) | 40. | 40. | 60. | 60. | 40. |
Tend (C) | 280. | 250. | 280. | 250. | 280. |
Heat rate (K/min) | 4. | 4. | 2. | 4. | 4. |
Initial hold (min) | 2. | 8. | 10. | 5. | 2. |
Final hold (min) | 10. | 40. | 10. | ||
I | 704. | 702. | 658. | 690. | 705. |
Reference | Elmore, Campo, et al., 2002 | Oruna-Concha, Ames, et al., 2002 | Pino, Marbot, et al., 2002 | Ames, Guy, et al., 2001 | Bruna, Hierro, et al., 2001 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | SPB-1 | CP Sil 5 CB | CP Sil 8 CB | DB-1 | BPX-5 |
Column length (m) | 30. | 50. | 60. | 60. | 50. |
Carrier gas | He | He | He | N2 | He |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.25 | 0.25 | 0.32 |
Phase thickness (μm) | 4. | 0.4 | 0.25 | 1. | 0.50 |
Tstart (C) | 45. | 60. | 40. | 30. | 40. |
Tend (C) | 240. | 280. | 280. | 200. | 280. |
Heat rate (K/min) | 5. | 3. | 4. | 5. | 4. |
Initial hold (min) | 13. | 10. | 2. | ||
Final hold (min) | 5. | 60. | 30. | ||
I | 678. | 657. | 709. | 680. | 709. |
Reference | Larráyoz, Addis, et al., 2001 | Pino, Marbot, et al., 2001 | Elmore, Mottram, et al., 2000 | Wu, Wang, et al., 2000 | Aaslyng, Elmore, et al., 1998 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | SE-54 | DB-1 | DB-1 | DB-1 | DB-5 |
Column length (m) | 25. | 25. | 25. | 30. | 60. |
Carrier gas | H2 | He | He | ||
Substrate | |||||
Column diameter (mm) | 0.31 | 0.2 | 0.2 | 0.25 | 0.33 |
Phase thickness (μm) | 0.11 | 0.11 | 1. | 0.25 | |
Tstart (C) | 35. | 50. | 50. | -50. | -50. |
Tend (C) | 250. | 250. | 250. | 180. | 180. |
Heat rate (K/min) | 4. | 5. | 5. | 6. | 6. |
Initial hold (min) | 3. | ||||
Final hold (min) | |||||
I | 698. | 674. | 674. | 678.1 | 696. |
Reference | Li, Wang, et al., 1998 | Warthen, Lee, et al., 1997 | Warthen, Lee, et al., 1997 | Helmig, Pollock, et al., 1996 | Helmig, Pollock, et al., 1996 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | SE-30 | DB-5 | DB-5 | HP-101 | HP-1 |
Column length (m) | 50. | 30. | 30. | 50. | 50. |
Carrier gas | H2 | H2 | N2 | ||
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.32 | 0.25 | 0.32 |
Phase thickness (μm) | 0.25 | 1. | 1. | 1.5 | |
Tstart (C) | 50. | 40. | 40. | 70. | 40. |
Tend (C) | 250. | 220. | 220. | 200. | 220. |
Heat rate (K/min) | 4. | 3. | 3. | 3. | 2. |
Initial hold (min) | |||||
Final hold (min) | 30. | ||||
I | 679. | 700. | 700. | 687. | 719. |
Reference | Misharina and Golovnya, 1996 | Moio L., Rillo L., et al., 1996 | Moio L., Rillo L., et al., 1996 | Chung, Eiserich, et al., 1993 | Zhang, Dorjpalam, et al., 1992 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|
Active phase | SPB-1 | SPB-1 | CP Sil 5 CB | OV-1 |
Column length (m) | 60. | 60. | 25. | 183. |
Carrier gas | He | He | N2 | |
Substrate | ||||
Column diameter (mm) | 0.25 | 0.25 | 0.22 | |
Phase thickness (μm) | 0.25 | 0.25 | ||
Tstart (C) | 35. | 35. | 70. | 0. |
Tend (C) | 235. | 235. | 205. | 230. |
Heat rate (K/min) | 2. | 2. | 4. | 1. |
Initial hold (min) | 10. | 10. | ||
Final hold (min) | 40. | 40. | ||
I | 692. | 692. | 675. | 675. |
Reference | Huang, Bruechert, et al., 1987 | Huang, Bruechert, et al., 1987 | Hendriks and Bruins, 1983 | Schreyen, Dirinck, et al., 1976 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | 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]
Methven L., Tsoukka M., et al., 2007
Methven L.; Tsoukka M.; Oruna-Concha M.J.; Parker J.K.; Mottram D.S.,
Influence of sulfur amino acids on the volatile and nonvolatile components of cooked salmon (Salmo salar),
J. Agric. Food Chem., 2007, 55, 4, 1427-1436, https://doi.org/10.1021/jf0625611
. [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]
Estevez, Ventanas, et al., 2005
Estevez, M.; Ventanas, S.; Ramirez, R.; Cava, R.,
Influence of the Addition of Rosemary Essential Oil on the Volatiles Pattern of Porcine Frankfurters,
J. Agric. Food Chem., 2005, 53, 21, 8317-8324, https://doi.org/10.1021/jf051025q
. [all data]
Pino, Mesa, et al., 2005
Pino, J.A.; Mesa, J.; Muñoz, Y.; Martí, M.P.; Marbot, R.,
Volatile components from mango (Mangifera indica L.) cultivars,
J. Agric. Food Chem., 2005, 53, 6, 2213-2223, https://doi.org/10.1021/jf0402633
. [all data]
Solina, Baumgartner, et al., 2005
Solina, M.; Baumgartner, P.; Johnson, R.L.; Whitfield, F.B.,
Volatile aroma components of soy protein isolate and acid-hydrolysed vegetable protein,
Food Chem., 2005, 90, 4, 861-873, https://doi.org/10.1016/j.foodchem.2004.06.005
. [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, Derler, et al., 2004
Siegmund, B.; Derler, K.; Pfannhauser, W.,
Chemical and sensory effects of glass and laminated carton packages on fruit juice products. Still a controversial topic,
Lebensm. Wiss. Technol., 2004, 37, 4, 481-488, https://doi.org/10.1016/j.lwt.2003.11.005
. [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]
Xu, van Stee, et al., 2003
Xu, X.; van Stee, L.L.P.; Williams, J.; Beens, J.; Adahchour, M.; Vreuls, R.J.J.; Brinkman, U.A.Th.; Lelieveld, J.,
Comprehensive two-dimensional gas chromatography (GC×GC) measurements of volatile organic compounds in the atmosphere,
Atmos. Chem. Phys., 2003, 3, 3, 665-682, https://doi.org/10.5194/acp-3-665-2003
. [all data]
Bredie, Mottram, et al., 2002
Bredie, W.L.P.; Mottram, D.S.; Guy, R.C.E.,
Effect of temperature and pH on the generation of flavor volatiles in extrusion cooking of wheat flour,
J. Agric. Food Chem., 2002, 50, 5, 1118-1125, https://doi.org/10.1021/jf0111662
. [all data]
Duckham, Dodson, et al., 2002
Duckham, S.C.; Dodson, A.T.; Bakker, J.; Ames, J.M.,
Effect of cultivar and storage time on the volatile flavor components of baked potato,
J. Agric. Food Chem., 2002, 50, 20, 5640-5648, https://doi.org/10.1021/jf011326+
. [all data]
Elmore, Campo, et al., 2002
Elmore, J.S.; Campo, M.M.; Enser, M.; Mottram, D.S.,
Effect of lipid composition on meat-like model systems containing cysteine, ribose, and polyunsaturated fatty acids,
J. Agric. Food Chem., 2002, 50, 5, 1126-1132, https://doi.org/10.1021/jf0108718
. [all data]
Oruna-Concha, Ames, et al., 2002
Oruna-Concha, M.J.; Ames, J.M.; Bakker, J.,
Comparison of the volatile components of eight cultivars of potato after microwave baking,
Lebensm. Wiss. Technol., 2002, 35, 1, 80-86, https://doi.org/10.1006/fstl.2001.0819
. [all data]
Pino, Marbot, et al., 2002
Pino, J.A.; Marbot, R.; Bello, A.,
Volatile compounds of Psidium salutare (H.B.K.) Berg. fruit,
J. Agric. Food Chem., 2002, 50, 18, 5146-5148, https://doi.org/10.1021/jf0116303
. [all data]
Ames, Guy, et al., 2001
Ames, J.M.; Guy, R.C.E.; Kipping, G.J.,
Effect of pH and temperature on the formation of volatile compounds in cysteine/reducing sugar/starch mixtures during extrusion cooking,
J. Agric. Food Chem., 2001, 49, 4, 1885-1894, https://doi.org/10.1021/jf0012547
. [all data]
Bruna, Hierro, et al., 2001
Bruna, J.M.; Hierro, E.M.; de la Hoz, L.; Mottram, D.S.; Fernández, M.; Ordóñez, J.A.,
The contribution of Penicillium aurantiogriseum to the volatile composition and sensory quality of dry fermented sausages,
Meat Sci., 2001, 59, 1, 97-107, https://doi.org/10.1016/S0309-1740(01)00058-4
. [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]
Pino, Marbot, et al., 2001
Pino, J.A.; Marbot, R.; Vázquez, C.,
Characterization of volatiles in strawberry guava (Psidium cattleianum Sabine) fruit,
J. Agric. Food Chem., 2001, 49, 12, 5883-5887, https://doi.org/10.1021/jf010414r
. [all data]
Elmore, Mottram, et al., 2000
Elmore, J.S.; Mottram, D.S.; Hierro, E.,
Two-fibre solid-phase microextraction combined with gas chromatography-mass spectrometry for the analysis of volatile aroma compounds in cooked pork,
J. Chromatogr. A, 2000, 905, 1-2, 233-240, https://doi.org/10.1016/S0021-9673(00)00990-0
. [all data]
Wu, Wang, et al., 2000
Wu, C.-M.; Wang, Z.; Wu, Q.H.,
Volatile compounds produced from monosodium glutamate in common food cooking,
J. Agric. Food Chem., 2000, 48, 6, 2438-2442, https://doi.org/10.1021/jf9907743
. [all data]
Aaslyng, Elmore, et al., 1998
Aaslyng, M.D.; Elmore, J.S.; Mottram, D.S.,
Comparison of the aroma characteristics of acid-hydrolyzed and enzyme-hydrolyzed vegetable proteins produced from soy,
J. Agric. Food Chem., 1998, 46, 12, 5225-5231, https://doi.org/10.1021/jf9806816
. [all data]
Li, Wang, et al., 1998
Li, W.; Wang, H.; Sun, Y.; Huang, A.; Sun, Y.,
Capillary gas chromatographic analysis of volatile components in goat feces,
Fenxi Huaxue, 1998, 26, 8, 935-939. [all data]
Warthen, Lee, et al., 1997
Warthen, J.D.; Lee, C.-J.; Jang, E.B.; Lance, D.R.; McInnis, D.O.,
Volatile, potential attractants from ripe coffee fruit for female Mediterranean fruit fly,
J. Chem. Ecol., 1997, 23, 7, 1891-1900, https://doi.org/10.1023/B:JOEC.0000006458.02342.61
. [all data]
Helmig, Pollock, et al., 1996
Helmig, D.; Pollock, W.; Greenberg, J.; Zimmerman, P.,
Gas chromatography mass spectrometry analysis of volatile organic trace gases at Mauna Loa Observatory, Hawaii,
J. Geophys. Res., 1996, 101, D9, 14697-14710, https://doi.org/10.1029/96JD00212
. [all data]
Misharina and Golovnya, 1996
Misharina, T.A.; Golovnya, R.V.,
Study of the composition of volatiles in raw and processed sardine by gas chromatography and gas chromatography-mass spectrometry,
Zh. Anal. Khim., 1996, 51, 7, 791-795. [all data]
Moio L., Rillo L., et al., 1996
Moio L.; Rillo L.; Ledda A.; Addeo F.,
Odorous constituents of ovine milk in relationship to diet,
J. Dairy Sci., 1996, 79, 8, 1322-1331, https://doi.org/10.3168/jds.S0022-0302(96)76488-3
. [all data]
Chung, Eiserich, et al., 1993
Chung, T.Y.; Eiserich, J.P.; Shibamoto, T.,
Volatile compounds isolated from edible Korean chamchwi (Aster scaber Thunb),
J. Agric. Food Chem., 1993, 41, 10, 1693-1697, https://doi.org/10.1021/jf00034a033
. [all data]
Zhang, Dorjpalam, et al., 1992
Zhang, Y.; Dorjpalam, B.; Ho, C.-T.,
Contribution of peptides to volatile formation in the Maillard reaction of casein hydrolysate with glucose,
J. Agric. Food Chem., 1992, 40, 12, 2467-2471, https://doi.org/10.1021/jf00024a026
. [all data]
Huang, Bruechert, et al., 1987
Huang, T.-C.; Bruechert, L.J.; Hartman, T.G.; Rosen, R.T.; Ho, C.-T.,
Effect of lipids and carbohydrates on thermal generation of volatiles from commercial zein,
J. Agric. Food Chem., 1987, 35, 6, 985-990, https://doi.org/10.1021/jf00078a030
. [all data]
Hendriks and Bruins, 1983
Hendriks, H.; Bruins, A.P.,
A tentative identification of components in the essential oil of Cannabis sativa L. by a combination of gas chromatography negative ion chemical ionization mass spectrometry and retention indices,
Biomed. Mass Spectrom., 1983, 10, 6, 377-381, https://doi.org/10.1002/bms.1200100607
. [all data]
Schreyen, Dirinck, et al., 1976
Schreyen, L.; Dirinck, P.; van Wassenhove, F.; Schamp, N.,
Volatile flavor components of leek,
J. Agric. Food Chem., 1976, 24, 2, 336-341, https://doi.org/10.1021/jf60204a056
. [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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