Pentanoic acid
- Formula: C5H10O2
- Molecular weight: 102.1317
- IUPAC Standard InChI: InChI=1S/C5H10O2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H,6,7)
- IUPAC Standard InChIKey: NQPDZGIKBAWPEJ-UHFFFAOYSA-N
- CAS Registry Number: 109-52-4
- 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: Valeric acid; n-Pentanoic acid; n-Valeric acid; Propylacetic acid; Valerianic acid; 1-Butanecarboxylic acid; n-C4H9COOH; Butanecarboxylic acid; Kyselina valerova; Valeric acid, normal; 1-Pentanoic acid; NSC 406833; Valeric acid, n-; NA 1760
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Van Den Dool and Kratz 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 | DB-FFAP | DB-Wax | HP-Innowax | FFAP | Innowax |
| Column length (m) | 30. | 30. | 60. | 30. | 60. |
| Carrier gas | He | He | He | He | |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.32 | 0.25 |
| Phase thickness (μm) | 0.5 | 0.5 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 35. | 40. | 50. | 40. | 40. |
| Tend (C) | 225. | 250. | 220. | 240. | 230. |
| Heat rate (K/min) | 4. | 4. | 4. | 6. | 4. |
| Initial hold (min) | 5. | 5. | 4. | 2. | 4. |
| Final hold (min) | 30. | 15. | 10. | 10. | 20. |
| I | 1733. | 1744. | 1734. | 1723. | 1730. |
| Reference | Jarunrattanasri, Theerakulkait, et al., 2007 | Pozo-Bayon M.A., Ruiz-Rodriguez A., et al., 2007 | Quijano, Linares, et al., 2007 | Steinhaus and Schieberle, 2007 | Lee, Lee, et al., 2006 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | OV-351 | Supelcowax-10 | DB-Wax | DB-Wax | DB-Wax |
| Column length (m) | 50. | 60. | 60. | 30. | 30. |
| Carrier gas | He | He | |||
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.25 | 0.32 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.2 | 0.25 | 1. | 0.25 | 0.25 |
| Tstart (C) | 60. | 35. | 45. | 40. | 40. |
| Tend (C) | 220. | 195. | 250. | 200. | 200. |
| Heat rate (K/min) | 5. | 6. | 5. | 10. | 10. |
| Initial hold (min) | 5. | 1. | 3. | 5. | |
| Final hold (min) | 60. | 12. | 20. | 15. | |
| I | 1725. | 1686. | 1762. | 1713. | 1720. |
| Reference | Bonvehí, 2005 | Chung, Fung, et al., 2005 | Malliaa, Fernandez-Garcia, et al., 2005 | Whetstine, Cadwallader, et al., 2005 | Avsar, Karagul-Yuceer, et al., 2004 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-Wax | ZB-Wax | DB-Wax | DB-FFAP | ZB-Wax |
| Column length (m) | 30. | 30. | 30. | 30. | 60. |
| Carrier gas | He | He | He | He | |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.15 | 0.5 | 0.25 | 0.25 |
| Tstart (C) | 40. | 35. | 40. | 35. | 40. |
| Tend (C) | 200. | 220. | 230. | 200. | 220. |
| Heat rate (K/min) | 10. | 1.8 | 5. | 10. | 3. |
| Initial hold (min) | 5. | 10. | 2. | 5. | |
| Final hold (min) | 15. | 10. | 10. | 30. | |
| I | 1720. | 1746. | 1755. | 1718. | 1708. |
| Reference | Avsar, Karagul-Yuceer, et al., 2004 | Ledauphin, Saint-Clair, et al., 2004 | Mahajan, Goddik, et al., 2004 | Karagül-Yüceer, Vlahovich, et al., 2003 | Brunton, Cronin, et al., 2002 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-FFAP | DB-FFAP | DB-Wax | DB-Wax | DB-Wax |
| Column length (m) | 30. | 30. | 30. | 30. | 30. |
| Carrier gas | H2 | H2 | |||
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.32 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 1. | 1. |
| Tstart (C) | 35. | 35. | 35. | 40. | 40. |
| Tend (C) | 200. | 200. | 200. | 210. | 210. |
| Heat rate (K/min) | 10. | 10. | 10. | 3. | 3. |
| Initial hold (min) | 5. | 5. | 5. | ||
| Final hold (min) | 30. | 30. | 30. | ||
| I | 1720. | 1719. | 1756. | 1749. | 1750. |
| Reference | Karagül-Yüceer, Cadwallader, et al., 2002 | Karagül-Yüceer, Cadwallader, et al., 2002 | Karagül-Yüceer, Drake, et al., 2001 | Moio, Piombino, et al., 2000 | Moio, Piombino, et al., 2000 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-Wax | FFAP | DB-Wax | DB-Wax | DB-Wax |
| Column length (m) | 15. | 60. | 30. | 30. | 30. |
| Carrier gas | He | H2 | H2 | H2 | |
| Substrate | |||||
| Column diameter (mm) | 0.53 | 0.25 | 0.32 | 0.32 | 0.32 |
| Phase thickness (μm) | 1. | 0.5 | 1. | 1. | 1. |
| Tstart (C) | 40. | 50. | 40. | 40. | 40. |
| Tend (C) | 220. | 230. | 210. | 210. | 210. |
| Heat rate (K/min) | 5. | 5. | 3. | 3. | 3. |
| Initial hold (min) | 3. | 3. | |||
| Final hold (min) | 30. | 15. | |||
| I | 1780. | 1757. | 1749. | 1750. | 1749. |
| Reference | Peng, 2000 | Stephan and Steinhart, 1999 | Moio and Addeo, 1998 | Moio and Addeo, 1998 | Moio and Addeo, 1998 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Packed | Capillary |
|---|---|---|---|
| Active phase | DB-Wax | Carbowax 20M | Carbowax 20M |
| Column length (m) | 30. | 3.05 | 50. |
| Carrier gas | He | He | |
| Substrate | Supelcoport | ||
| Column diameter (mm) | 0.25 | 0.32 | |
| Phase thickness (μm) | 0.25 | ||
| Tstart (C) | 20. | 40. | 50. |
| Tend (C) | 200. | 200. | 200. |
| Heat rate (K/min) | 4. | 8. | 2. |
| Initial hold (min) | 5. | 4. | 5. |
| Final hold (min) | 10. | 40. | |
| I | 1736. | 1706. | 1729. |
| Reference | Ott, Fay, et al., 1997 | Peng, Yang, et al., 1991 | Chen, Kuo, et al., 1986 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Van Den Dool and Kratz 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.
Jarunrattanasri, Theerakulkait, et al., 2007
Jarunrattanasri, A.; Theerakulkait, C.; Cadwallader, K.R.,
Aroma Components of Acid-Hydrolyzed Vegetable Protein Made by Partial Hydrolysis of Rice Bran Protein,
J. Agric. Food Chem., 2007, 55, 8, 3044-3050, https://doi.org/10.1021/jf0631474
. [all data]
Pozo-Bayon M.A., Ruiz-Rodriguez A., et al., 2007
Pozo-Bayon M.A.; Ruiz-Rodriguez A.; Pernin K.; Cayot N.,
Influence of eggs on the aroma composition of a sponge cake and on the aroma release in model studies on flavored sponge cakes,
J. Agric. Food Chem., 2007, 55, 4, 1418-1426, https://doi.org/10.1021/jf062203y
. [all data]
Quijano, Linares, et al., 2007
Quijano, C.E.; Linares, D.; Pino, J.A.,
Changes in volatile compounds of fermented cereza agria [Phyllanthus acidus (L.) Skeels] fruit,
Flavour Fragr. J., 2007, 22, 5, 392-394, https://doi.org/10.1002/ffj.1810
. [all data]
Steinhaus and Schieberle, 2007
Steinhaus, P.; Schieberle, P.,
Characterization of the key aroma compounds in soy sauce using approaches of molecular sensory science,
J. Agric. Food Chem., 2007, 55, 15, 6262-6269, https://doi.org/10.1021/jf0709092
. [all data]
Lee, Lee, et al., 2006
Lee, S.-J.; Lee, J.-E.; Kim, H.-W.; Kim, S.-S.; Koh, K.-H.,
Development of Korean red wines using Vitis labrusca varieties: instrumental and sensory characterization,
Food Chem., 2006, 94, 3, 385-393, https://doi.org/10.1016/j.foodchem.2004.11.035
. [all data]
Bonvehí, 2005
Bonvehí, J.S.,
Investigation of aromatic compounds in roasted cocoa powder,
Eur. Food Res. Technol., 2005, 221, 1-2, 19-29, https://doi.org/10.1007/s00217-005-1147-y
. [all data]
Chung, Fung, et al., 2005
Chung, H.Y.; Fung, P.K.; Kim, J.-S.,
Aroma impact components in commercial plain sufu,
J. Agric. Food Chem., 2005, 53, 5, 1684-1691, https://doi.org/10.1021/jf048617d
. [all data]
Malliaa, Fernandez-Garcia, et al., 2005
Malliaa, S.; Fernandez-Garcia, E.; Bosset, J.O.,
Comparison of purge and trap and solid phase microextraction techniques for studying the volatile aroma compounds of three European PDO hard cheeses,
Int. Dairy J., 2005, 15, 6-9, 741-758, https://doi.org/10.1016/j.idairyj.2004.11.007
. [all data]
Whetstine, Cadwallader, et al., 2005
Whetstine, M.E.C.; Cadwallader, K.R.; Drake, M.A.,
Characterization of aroma compounds responsible for the rosy/floral flavor in cheddar cheese,
J. Agric. Food Chem., 2005, 53, 8, 3126-3132, https://doi.org/10.1021/jf048278o
. [all data]
Avsar, Karagul-Yuceer, et al., 2004
Avsar, Y.K.; Karagul-Yuceer, Y.; Drake, M.A.; Singh, T.K.; Yoon, Y.; Cadwallader, K.R.,
Characterization of nutty flavor in cheddar cheese,
J. Dairy Sci., 2004, 87, 7, 1999-2010, https://doi.org/10.3168/jds.S0022-0302(04)70017-X
. [all data]
Ledauphin, Saint-Clair, et al., 2004
Ledauphin, J.; Saint-Clair, J.-F.; Lablanquie, O.; Guichard, H.; Founier, N.; Guichard, E.; Barillier, D.,
Identification of trace volatile compounds in freshly distilled calvados and cognac using preparative separations coupled with gas chromatography-mass spectrometry,
J. Agric. Food Chem., 2004, 52, 16, 5124-5134, https://doi.org/10.1021/jf040052y
. [all data]
Mahajan, Goddik, et al., 2004
Mahajan, S.S.; Goddik, L.; Qian, M.C.,
Aroma Compounds in Sweet Whey Powder,
J. Dairy Sci., 2004, 87, 12, 4057-4063, https://doi.org/10.3168/jds.S0022-0302(04)73547-X
. [all data]
Karagül-Yüceer, Vlahovich, et al., 2003
Karagül-Yüceer, Y.; Vlahovich, K.N.; Drake, M.A.; Cadwallader, K.R.,
Characteristic aroma components of rennet casein,
J. Agric. Food Chem., 2003, 51, 23, 6797-6801, https://doi.org/10.1021/jf0345806
. [all data]
Brunton, Cronin, et al., 2002
Brunton, N.P.; Cronin, D.A.; Monahan, F.J.,
Volatile components associated with freshly cooked and oxidized off-flavours in turkey breast meat,
Flavour Fragr. J., 2002, 17, 5, 327-334, https://doi.org/10.1002/ffj.1087
. [all data]
Karagül-Yüceer, Cadwallader, et al., 2002
Karagül-Yüceer, Y.; Cadwallader, K.R.; Drake, M.A.,
Volatile flavor components of stored nonfat dry milk,
J. Agric. Food Chem., 2002, 50, 2, 305-312, https://doi.org/10.1021/jf010648a
. [all data]
Karagül-Yüceer, Drake, et al., 2001
Karagül-Yüceer, Y.; Drake, M.; Cadwallader, K.R.,
Aroma-active components of nonfat dry milk,
J. Agric. Food Chem., 2001, 49, 6, 2948-2953, https://doi.org/10.1021/jf0009854
. [all data]
Moio, Piombino, et al., 2000
Moio, L.; Piombino, P.; Addeo, F.,
Odour-impact compounds of Gorgonzola cheese,
J. Dairy Res., 2000, 67, 2, 273-285, https://doi.org/10.1017/S0022029900004106
. [all data]
Peng, 2000
Peng, C.T.,
Prediction of retention indices. V. Influence of electronic effects and column polarity on retention index,
J. Chromatogr. A, 2000, 903, 1-2, 117-143, https://doi.org/10.1016/S0021-9673(00)00901-8
. [all data]
Stephan and Steinhart, 1999
Stephan, A.; Steinhart, H.,
Identification of character impact odorants of different soybean lecithins,
J. Agric. Food Chem., 1999, 47, 7, 2854-2859, https://doi.org/10.1021/jf981387g
. [all data]
Moio and Addeo, 1998
Moio, L.; Addeo, F.,
Grana Padano cheese aroma,
J. Dairy Res., 1998, 65, 2, 317-333, https://doi.org/10.1017/S0022029997002768
. [all data]
Ott, Fay, et al., 1997
Ott, A.; Fay, L.B.; Chaintreau, A.,
Determination and origin of the aroma impact compounds of yogurt flavor,
J. Agric. Food Chem., 1997, 45, 3, 850-858, https://doi.org/10.1021/jf960508e
. [all data]
Peng, Yang, et al., 1991
Peng, C.T.; Yang, Z.C.; Maltby, D.,
Prediction of retention indexes. III. Silylated derivatives of polar compounds,
J. Chromatogr., 1991, 586, 1, 113-129, https://doi.org/10.1016/0021-9673(91)80029-G
. [all data]
Chen, Kuo, et al., 1986
Chen, C.-C.; Kuo, M.-C.; Liu, S.-E.; Wu, C.-M.,
Volatile components of salted and pickled prunes (Prunus mume Sieb. et Zucc.),
J. Agric. Food Chem., 1986, 34, 1, 140-144, https://doi.org/10.1021/jf00067a038
. [all data]
Notes
Go To: Top, Van Den Dool and Kratz 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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