Heptanoic acid
- Formula: C7H14O2
- Molecular weight: 130.1849
- IUPAC Standard InChIKey: MNWFXJYAOYHMED-UHFFFAOYSA-N
- CAS Registry Number: 111-14-8
- 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: Enanthic acid; n-Heptanoic acid; n-Heptoic acid; n-Heptylic acid; Enanthylic acid; Heptoic acid; Heptylic acid; Oenanthic acid; Oenanthylic acid; 1-Hexanecarboxylic acid; Hepthlic acid; Hexacid C-7; 1-Heptanoic acid; NSC 2192
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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-Wax | LM-120 | DB-FFAP | DB-Wax | DB-Wax |
Column length (m) | 30. | 50. | 30. | 60. | 60. |
Carrier gas | He | N2 | He | He | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.32 | 0.32 |
Phase thickness (μm) | 0.5 | 0.5 | 0.25 | 1. | 1. |
Tstart (C) | 40. | 50. | 40. | 45. | 45. |
Tend (C) | 250. | 240. | 230. | 250. | 250. |
Heat rate (K/min) | 4. | 3. | 5. | 5. | 5. |
Initial hold (min) | 5. | 2. | 1. | 1. | |
Final hold (min) | 15. | 30. | 6. | 12. | 12. |
I | 1960. | 1930. | 1946. | 1950. | 1967. |
Reference | Pozo-Bayon M.A., Ruiz-Rodriguez A., et al., 2007 | Pinto, Guedes, et al., 2006 | Colahan-Sederstrom and Peterson, 2005 | Malliaa, Fernandez-Garcia, et al., 2005 | Malliaa, Fernandez-Garcia, et al., 2005 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | Carbowax 20M | DB-Wax | DB-FFAP | CP-Wax 52CB | DB-FFAP |
Column length (m) | 60. | 30. | 30. | 60. | 30. |
Carrier gas | He | He | He | He | H2 |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.32 |
Phase thickness (μm) | 0.25 | 0.5 | 0.25 | 0.25 | 0.25 |
Tstart (C) | 45. | 40. | 35. | 45. | 40. |
Tend (C) | 250. | 230. | 200. | 250. | 240. |
Heat rate (K/min) | 2. | 5. | 10. | 2. | 5. |
Initial hold (min) | 0.17 | 2. | 5. | 0.17 | 2. |
Final hold (min) | 10. | 30. | |||
I | 1918. | 1971. | 1947. | 1918. | 1956. |
Reference | Verzera, Campisi, et al., 2005 | Mahajan, Goddik, et al., 2004 | Karagül-Yüceer, Vlahovich, et al., 2003 | Verzera, Campisi, et al., 2001 | Charles, Martin, 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 | DB-Wax | DB-Wax | DB-Wax | DB-Wax |
Column length (m) | 30. | 30. | 15. | 30. | 30. |
Carrier gas | H2 | H2 | He | H2 | H2 |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.53 | 0.32 | 0.32 |
Phase thickness (μm) | 1. | 1. | 1. | 1. | 1. |
Tstart (C) | 40. | 40. | 40. | 40. | 40. |
Tend (C) | 210. | 210. | 220. | 210. | 210. |
Heat rate (K/min) | 3. | 3. | 5. | 3. | 3. |
Initial hold (min) | 3. | ||||
Final hold (min) | 30. | ||||
I | 1965. | 1968. | 1997. | 1965. | 1966. |
Reference | Moio, Piombino, et al., 2000 | Moio, Piombino, et al., 2000 | Peng, 2000 | Moio and Addeo, 1998 | Moio and Addeo, 1998 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-Wax | DB-Wax | PEG-20M | DB-Wax | DB-Wax |
Column length (m) | 30. | 30. | 60. | 60. | 60. |
Carrier gas | H2 | He | He | He | |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.25 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 1. | 0.25 | 0.25 | 0.25 | 0.25 |
Tstart (C) | 40. | 20. | 50. | 50. | 50. |
Tend (C) | 210. | 200. | 230. | 230. | 230. |
Heat rate (K/min) | 3. | 4. | 2. | 2. | 2. |
Initial hold (min) | 5. | ||||
Final hold (min) | 10. | 60. | 60. | ||
I | 1965. | 1954. | 1953. | 1953. | 1943. |
Reference | Moio and Addeo, 1998 | Ott, Fay, et al., 1997 | Shimoda, Nakada, et al., 1997 | Shimoda, Shiratsuchi, et al., 1996 | Shimoda, Shigematsu, et al., 1995 |
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) | 60. | 3.05 | 50. |
Carrier gas | He | He | |
Substrate | Supelcoport | ||
Column diameter (mm) | 0.25 | 0.32 | |
Phase thickness (μm) | 0.25 | ||
Tstart (C) | 50. | 40. | 50. |
Tend (C) | 230. | 200. | 200. |
Heat rate (K/min) | 2. | 8. | 2. |
Initial hold (min) | 4. | 5. | |
Final hold (min) | 60. | 40. | |
I | 1950. | 1916. | 1939. |
Reference | Shiratsuchi, Shimoda, et al., 1994 | 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.
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]
Pinto, Guedes, et al., 2006
Pinto, A.B.; Guedes, C.M.; Moreira, R.F.A.; de Maria, C.A.B.,
Volatile constituents from headspace and aqueous solution of genipap (Genipa americana) fruit isolated by the solid-phase extraction method,
Flavour Fragr. J., 2006, 21, 3, 488-491, https://doi.org/10.1002/ffj.1623
. [all data]
Colahan-Sederstrom and Peterson, 2005
Colahan-Sederstrom, P.M.; Peterson, D.G.,
Inhibition of key aroma compound generated during ultrahigh-temperature processing of bovine milk via epicatechin addition,
J. Agric. Food Chem., 2005, 53, 2, 398-402, https://doi.org/10.1021/jf0487248
. [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]
Verzera, Campisi, et al., 2005
Verzera, A.; Campisi, S.; Zappalá, M.,
SUPELCO. Using SPME-GC-MS to characterize volatile components of honey as indicators of botanical origin, 2005, retrieved from http://www.sigmaaldrich.com/Brands/SupelcoHome/TheReporter.html. [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]
Verzera, Campisi, et al., 2001
Verzera, A.; Campisi, S.; Zappalá, M.; Bonaccorsi, I.,
SPME-GC-MS analysis of honey volatile components for the characterization of different floral origin,
Am. Lab. Fairfield Conn., 2001, 33, 15, 18-21. [all data]
Charles, Martin, et al., 2000
Charles, M.; Martin, B.; Ginies, C.; Etievant, P.; Coste, G.; Guichard, E.,
Potent aroma compounds of two red wine vinegars,
J. Agric. Food Chem., 2000, 48, 1, 70-77, https://doi.org/10.1021/jf9905424
. [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]
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]
Shimoda, Nakada, et al., 1997
Shimoda, M.; Nakada, Y.; Nakashima, M.; Osajima, Y.,
Quantitative comparison of volatile flavor compounds in deep-roasted and light-roasted sesame seed oil,
J. Agric. Food Chem., 1997, 45, 8, 3193-3196, https://doi.org/10.1021/jf970172o
. [all data]
Shimoda, Shiratsuchi, et al., 1996
Shimoda, M.; Shiratsuchi, H.; Nakada, Y.; Wu, Y.; Osajima, Y.,
Identification and sensory characterization of volatile flavor compounds in sesame seed oil,
J. Agric. Food Chem., 1996, 44, 12, 3909-3912, https://doi.org/10.1021/jf960115f
. [all data]
Shimoda, Shigematsu, et al., 1995
Shimoda, M.; Shigematsu, H.; Shiratsuchi, H.; Osajima, Y.,
Comparison of the odor concentrates by SDE and adsorptive column method from green tea infusion,
J. Agric. Food Chem., 1995, 43, 6, 1616-1620, https://doi.org/10.1021/jf00054a037
. [all data]
Shiratsuchi, Shimoda, et al., 1994
Shiratsuchi, H.; Shimoda, M.; Imayoshi, K.; Noda, K.; Osajima, Y.,
Volatile flavor compounds in spray-dried skim milk powder,
J. Agric. Food Chem., 1994, 42, 4, 984-988, https://doi.org/10.1021/jf00040a028
. [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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