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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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 | DB-5 MS | DB-5 |
Column length (m) | 60. | 60. | 30. | 30. | 30. |
Carrier gas | Helium | Helium | Helium | Helium | Helium |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.32 | 0.32 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Tstart (C) | 30. | 30. | 50. | 40. | 35. |
Tend (C) | 260. | 260. | 240. | 230. | 220. |
Heat rate (K/min) | 2. | 2. | 4. | 6. | 3. |
Initial hold (min) | 2. | 2. | |||
Final hold (min) | 28. | 28. | 10. | 20. | 40. |
I | 702. | 703. | 701. | 705. | 697. |
Reference | Leffingwell and Alford, 2011 | Leffingwell and Alford, 2011 | Pino, Marquez, et al., 2010 | Chen, Song, et al., 2009 | El-Massry, El-Ghorab, 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 | Mega 5 MS | RTX-5 MS | HP-5 MS | SPB-1 |
Column length (m) | 60. | 60. | 30. | 30. | 30. |
Carrier gas | Helium | Helium | Helium | Helium | Helium |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.25 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.50 | 0.25 | 1.0 |
Tstart (C) | 40. | 35. | 50. | 60. | |
Tend (C) | 240. | 240. | 225. | 230. | 250. |
Heat rate (K/min) | 6. | 3. | 6. | 4. | 5. |
Initial hold (min) | 2. | 5. | 4. | 5. | |
Final hold (min) | 5. | 10. | 10. | ||
I | 738. | 670. | 701. | 706. | 670. |
Reference | Mallia, Escher, et al., 2009 | Romeo, Verzera, et al., 2009 | Watcharananun, Cadwallader, et al., 2009 | Forero, Quijano, et al., 2008 | Frerot, Velluz, et al., 2008 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP-5 | RTX-5 | DB-5 | DB-5 | 5 % Phenyl methyl siloxane |
Column length (m) | 10. | 60. | 60. | 30. | 30. |
Carrier gas | Helium | Helium | Helium | He | |
Substrate | |||||
Column diameter (mm) | 0.10 | 0.32 | 0.32 | 0.25 | 0.25 |
Phase thickness (μm) | 0.40 | 1. | 1.0 | 0.25 | 1. |
Tstart (C) | 40. | 40. | 35. | 60. | 40. |
Tend (C) | 280. | 205. | 240. | 220. | 250. |
Heat rate (K/min) | 20. | 4. | 15. | 4. | 7. |
Initial hold (min) | 1. | 5. | 7. | 10. | |
Final hold (min) | 1. | 5. | 10. | 5. | |
I | 705. | 696. | 732. | 708. | 696. |
Reference | Mildner-Szkudlarz and Jelen, 2008 | Berdague, Tournayre, et al., 2007 | Gogus, Ozel, et al., 2007 | Morteza-Semnani, Saeedi, 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 | 5 % Phenyl methyl siloxane | DB-5 | DB-5 | HP-5 | DB-5 |
Column length (m) | 30. | 60. | 60. | 30. | 30. |
Carrier gas | He | He | He | He | He |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.32 | 0.32 | 0.25 | 0.32 |
Phase thickness (μm) | 1. | 0.25 | 0.25 | ||
Tstart (C) | 40. | 60. | 50. | 35. | 60. |
Tend (C) | 250. | 250. | 250. | 200. | 280. |
Heat rate (K/min) | 7. | 4. | 4. | 3. | 5. |
Initial hold (min) | 10. | 5. | 5. | 5. | 0.5 |
Final hold (min) | 5. | 2. | |||
I | 696. | 689. | 680. | 705. | 732. |
Reference | Ramirez R. and Cava R., 2007 | Fadel, Mageed, et al., 2006 | Fadel, Mageed, et al., 2006, 2 | Isidorov, Purzynska, et al., 2006 | Ozel, Gogus, 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-5MS | DB-5 | 5 % Phenyl methyl siloxane |
Column length (m) | 30. | 30. | 30. | 30. | 0. |
Carrier gas | Hydrogen | Hydrogen | He | He | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 1. |
Tstart (C) | 70. | 70. | 38. | 60. | 40. |
Tend (C) | 280. | 280. | 220. | 220. | 250. |
Heat rate (K/min) | 4. | 4. | 5. | 4. | 7. |
Initial hold (min) | 4. | 4. | 1. | 4. | 10. |
Final hold (min) | 2. | 5. | |||
I | 697. | 696. | 699. | 708. | 669. |
Reference | Pino, Marbot, et al., 2006 | Pino, Marbot, et al., 2006 | Krist, Stuebiger, et al., 2005 | Morteza-Semnani and Saeedi, 2005 | Ramírez, Estévez, et al., 2004 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-5 | MDN-5 | DB-5 | SPB-1 | SPB-1 |
Column length (m) | 60. | 30. | 30. | 30. | 30. |
Carrier gas | He | He | H2 | He | He |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Tstart (C) | 35. | 40. | 60. | 40. | 40. |
Tend (C) | 280. | 280. | 280. | 200. | 200. |
Heat rate (K/min) | 5. | 20. | 4. | 3. | 3. |
Initial hold (min) | 2. | 1. | 10. | 10. | 10. |
Final hold (min) | 4. | 1. | 40. | ||
I | 715. | 705. | 698. | 666. | 669. |
Reference | Dhanda, Pegg, et al., 2003 | Mildner-Szkudlarz, Jelen, et al., 2003 | Pino, Marbot, et al., 2003 | Vichi, Castellote, et al., 2003 | Vichi, Pizzale, et al., 2003 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | SPB-1 | HP-5 | SPB-5 | SPB-5 | HP-5 |
Column length (m) | 30. | 30. | 30. | 60. | 60. |
Carrier gas | He | Helium | He | He | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.32 | 0.32 |
Phase thickness (μm) | 0.25 | 0.25 | 1. | 1. | |
Tstart (C) | 40. | 50. | 60. | 40. | 40. |
Tend (C) | 200. | 200. | 250. | 200. | 240. |
Heat rate (K/min) | 3. | 3. | 4. | 3. | 3. |
Initial hold (min) | 10. | 2. | |||
Final hold (min) | 20. | ||||
I | 672. | 697. | 700. | 698. | 697. |
Reference | Vichi, Pizzale, et al., 2003, 2 | Isidorov and Jdanova, 2002 | Pino, Marbot, et al., 2002 | Poligné, Collignan, et al., 2001 | García, Martín, et al., 2000 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | Methyl Silicone | DB-5 | SE-54 | DB-1 | DB-5 |
Column length (m) | 60. | 30. | 25. | 60. | 60. |
Carrier gas | |||||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.32 | 0.31 | 0.25 | 0.32 |
Phase thickness (μm) | 0.25 | 1. | 1. | ||
Tstart (C) | 40. | 40. | 35. | 30. | 40. |
Tend (C) | 220. | 200. | 250. | 200. | 200. |
Heat rate (K/min) | 5. | 3. | 4. | 4. | 3. |
Initial hold (min) | 10. | 5. | 3. | 25. | 5. |
Final hold (min) | 20. | 2. | |||
I | 666.99 | 693. | 689. | 668. | 695. |
Reference | Baraldi, Rapparini, et al., 1999 | Meynier, Novelli, et al., 1999 | Ding, Deng, et al., 1998 | Buttery, Ling, et al., 1997 | Kondjoyan, Viallon, et al., 1997 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-5 | DB-1 | DB-1 | Ultra-2 | Ultra-2 |
Column length (m) | 60. | 30. | 60. | 50. | 50. |
Carrier gas | He | He | He | He | |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.2 | 0.25 | 0.32 | 0.32 |
Phase thickness (μm) | 1. | 0.25 | 0.52 | 0.52 | |
Tstart (C) | 40. | 50. | 30. | 40. | 40. |
Tend (C) | 200. | 200. | 200. | 250. | 250. |
Heat rate (K/min) | 3. | 4. | 4. | 4. | 4. |
Initial hold (min) | 5. | 2. | 25. | 3. | 3. |
Final hold (min) | 2. | 20. | 30. | 30. | |
I | 699. | 674. | 668. | 703. | 696. |
Reference | Kondjoyan, Viallon, et al., 1997 | Rapior, Breheret, et al., 1997 | Buttery and Ling, 1995 | King, Matthews, et al., 1995 | King, Hamilton, et al., 1993 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-5 | DB-5 | DB-1 | HG-5 | DB-5 |
Column length (m) | 30. | 30. | 60. | 50. | 60. |
Carrier gas | H2 | H2 | He | He | |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.32 | 0.32 | 0.25 |
Phase thickness (μm) | 1. | 1. | 1.2 | 0.52 | 0.25 |
Tstart (C) | 40. | 40. | 30. | 35. | 40. |
Tend (C) | 220. | 220. | 240. | 250. | 250. |
Heat rate (K/min) | 3. | 3. | 3. | 3. | 2. |
Initial hold (min) | 10. | 15. | 5. | ||
Final hold (min) | 45. | ||||
I | 700. | 700. | 676. | 705. | 697. |
Reference | Moio, Dekimpe, et al., 1993 | Moio, Dekimpe, et al., 1993 | Ciccioli, Cecinato, et al., 1992 | Drumm and Spanier, 1991 | Lee, Macku, et al., 1991 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-5 | OV-101 | OV-101 | DB-1 | HP-5 |
Column length (m) | 60. | 50. | 50. | 60. | 50. |
Carrier gas | He | He | H2 | ||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.32 | 0.28 | 0.32 | 0.3 |
Phase thickness (μm) | 0.5 | ||||
Tstart (C) | 40. | 50. | 80. | 50. | 80. |
Tend (C) | 160. | 250. | 200. | 230. | 250. |
Heat rate (K/min) | 2. | 4. | 2. | 4. | 16. |
Initial hold (min) | 5. | ||||
Final hold (min) | 10. | ||||
I | 700. | 670. | 694. | 668. | 693. |
Reference | Macku and Shibamoto, 1991 | Misharina, Golovnya, et al., 1991 | Anker, Jurs, et al., 1990 | Binder, Benson, et al., 1990 | Spadone, Takeoka, et al., 1990 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP-5 | BP-1 | DB-1 | OV-101 | SF96+Igepal |
Column length (m) | 50. | 25. | 50. | 50. | 213. |
Carrier gas | H2 | Hydrogen | He | ||
Substrate | |||||
Column diameter (mm) | 0.3 | 0.20 | 0.32 | 0.31 | 0.7 |
Phase thickness (μm) | |||||
Tstart (C) | 80. | 70. | 0. | 0. | 45. |
Tend (C) | 250. | 180. | 250. | 225. | 200. |
Heat rate (K/min) | 16. | 3. | 3. | 3. | 2. |
Initial hold (min) | 5. | 1. | 30. | ||
Final hold (min) | |||||
I | 694. | 694. | 673. | 671. | 677. |
Reference | Spadone, Takeoka, et al., 1990 | MacLeod, MacLeod, et al., 1988 | Habu, Flath, et al., 1985 | del Rosario, de Lumen, et al., 1984 | Lorenz, Stern, et al., 1983 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | SF96+Igepal | SP 2100 | SE-30 | SE-30 | SF-96 |
Column length (m) | 213. | 40. | 50. | 50. | 111. |
Carrier gas | Helium | He | Nitrogen | ||
Substrate | |||||
Column diameter (mm) | 0.7 | 0.20 | 0.5 | 0.5 | 0.76 |
Phase thickness (μm) | |||||
Tstart (C) | 45. | 40. | 40. | 40. | |
Tend (C) | 200. | 200. | 170. | 170. | 130. |
Heat rate (K/min) | 2. | 10. | 3. | 3. | 3. |
Initial hold (min) | 30. | 3. | 3. | 8. | |
Final hold (min) | 40. | ||||
I | 677. | 667. | 669. | 669. | 684. |
Reference | Lorenz, Stern, et al., 1983 | Labropoulos, Palmer, et al., 1982 | Heydanek and McGorrin, 1981 | Heydanek and McGorrin, 1981, 2 | Donetzhuber, Johansson, et al., 1976 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | 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
Leffingwell, J.; Alford, E.D.,
Volatile constituents of the giant pufball mushroom (Calvatia gigantea),
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Volatile compounds in noni (Morinda citrifolia L.) at two ripening stages,
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Chen, Song, et al., 2009
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Aroma-active aompounds of Beijing roast duck,
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El-Massry, El-Ghorab, et al., 2009
El-Massry, K.F.; El-Ghorab, A.H.; Shaaban, H.A.; Shibamoto, T.,
Chemical compositions and antioxidant/antimicrobial activities of various samples prepared from Schinus terebinthifolius leaves cultivated in Egipt,
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Mallia, Escher, et al., 2009
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Characterization and quantification of odor-active compounds in unsaturated fatty acid/conjugated linoleic acid (UFA/CLA)-enriched butter and in conventional butter during storage and induced oxidation,
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Analysis of the volatile constituents of cooked petai beans (Parkia speciosa) using high-resolution GC/TOF-MS,
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Mildner-Szkudlarz, Jelen, et al., 2003
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Pino, Marbot, et al., 2003
Pino, J.A.; Marbot, R.; Fuentes, V.,
Characterization of volatiles in Bullock's heart (Annona reticulata L.) fruit cultivars from Cuba,
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Notes
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