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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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 | HP-5 MS | HP-5 |
Column length (m) | 60. | 60. | 30. | 30. | 10. |
Carrier gas | Helium | Helium | Helium | Helium | Helium |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.32 | 0.25 | 0.10 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.40 |
Tstart (C) | 30. | 30. | 50. | 70. | 40. |
Tend (C) | 260. | 260. | 240. | 290. | 280. |
Heat rate (K/min) | 2. | 2. | 4. | 5. | 20. |
Initial hold (min) | 2. | 1. | |||
Final hold (min) | 28. | 28. | 10. | 10. | 1. |
I | 1073. | 1076. | 1109. | 1062. | 1085. |
Reference | Leffingwell and Alford, 2011 | Leffingwell and Alford, 2011 | Pino, Marquez, et al., 2010 | Radulovic, Dordevic, et al., 2010 | Mildner-Szkudlarz and Jelen, 2008 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP-5 | DB-1 | DB-5 | DB-5 | DB-5 |
Column length (m) | 30. | 30. | 30. | 30. | 30. |
Carrier gas | Nitrogen | He | He | He | N2 |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.32 | 0.25 | 0.32 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Tstart (C) | 50. | 50. | 60. | 40. | 40. |
Tend (C) | 280. | 265. | 280. | 250. | 250. |
Heat rate (K/min) | 5. | 2.5 | 5. | 4. | 4. |
Initial hold (min) | 1. | 1. | 0.5 | 2. | 2. |
Final hold (min) | 1. | 20. | 2. | 10. | 5. |
I | 1085. | 1063. | 1112. | 1098. | 1078. |
Reference | Saidana, Mahjoub, et al., 2008 | Iranshahi, Amin, et al., 2006 | Ozel, Gogus, et al., 2006 | Shen X., Gao Y., et al., 2006 | Fan and Qian, 2005 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP-5 | SPB-5 | Optima-1 | HP-1 | DB-1 |
Column length (m) | 60. | 60. | 25. | 25. | 60. |
Carrier gas | He | Helium | He | ||
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.20 | 0.32 | 0.25 |
Phase thickness (μm) | 0.25 | 1.0 | 0.25 | ||
Tstart (C) | 30. | 30. | 50. | 35. | 30. |
Tend (C) | 260. | 230. | 250. | 250. | 200. |
Heat rate (K/min) | 2. | 3. | 3. | 4. | 4. |
Initial hold (min) | 2. | 3. | 25. | ||
Final hold (min) | 28. | 20. | |||
I | 1097.0 | 1051. | 1091. | 1092. | 1064. |
Reference | Leffingwell and Alford, 2005 | Sebastian, Viallon-Fernandez, et al., 2003 | de Beck, Bessière, et al., 2000 | Ong, Acree, et al., 1998 | Buttery, Ling, et al., 1997 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary |
---|---|---|---|
Active phase | Ultra-2 | Ultra-2 | DB-5 |
Column length (m) | 50. | 50. | 60. |
Carrier gas | He | He | He |
Substrate | |||
Column diameter (mm) | 0.32 | 0.32 | 0.32 |
Phase thickness (μm) | 0.52 | 0.52 | 1.0 |
Tstart (C) | 40. | 40. | 40. |
Tend (C) | 250. | 250. | 240. |
Heat rate (K/min) | 4. | 4. | 3. |
Initial hold (min) | 3. | 3. | |
Final hold (min) | 30. | 30. | |
I | 1091. | 1098. | 1083. |
Reference | King, Matthews, et al., 1995 | King, Hamilton, et al., 1993 | Berdague, Denoyer, et al., 1991 |
Comment | 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),
Leffingwell Rep., 2011, 4, 1-17. [all data]
Pino, Marquez, et al., 2010
Pino, J.A.; Marquez, E.; Quijano, C.E.; Castro, D.,
Volatile compounds in noni (Morinda citrifolia L.) at two ripening stages,
Ciencia e Technologia de Alimentos, 2010, 30, 1, 183-187, https://doi.org/10.1590/S0101-20612010000100028
. [all data]
Radulovic, Dordevic, et al., 2010
Radulovic, N.; Dordevic, N.; Markovic, M.; Palic, R.,
Volatile constituents of Glechoma Hirsuta Waldst. Kit. and G. Hederacea L. (Lamiaceae),
Bull. Chem. Soc. Ethiop., 2010, 24, 1, 67-76, https://doi.org/10.4314/bcse.v24i1.52962
. [all data]
Mildner-Szkudlarz and Jelen, 2008
Mildner-Szkudlarz, S.; Jelen, H.H.,
The potential of different techniques for volatile compounds analysis coupled with PCA for the detection of the adulteration of olive oil with hazelnut oil,
Food Chem., 2008, 110, 3, 751-761, https://doi.org/10.1016/j.foodchem.2008.02.053
. [all data]
Saidana, Mahjoub, et al., 2008
Saidana, D.; Mahjoub, M.A.; Boussaada, O.; Chriaa, J.; Cheraif, I.; Daami, M.; Mighri, Z.; Helal, A.N.,
Chemical composition and antimicrobial activity of volatile compounds of Tamarix boveana (Tamaricaceae),
Microbiol. Res., 2008, 163, 4, 445-455, https://doi.org/10.1016/j.micres.2006.07.009
. [all data]
Iranshahi, Amin, et al., 2006
Iranshahi, M.; Amin, G.; Sourmaghi, M.S.; Shafiee, A.; Hadjiakhoondi, A.,
Sulphur-containing compounds in the essential oil of the root of Ferula persica Willd. var. persica,
Flavour Fragr. J., 2006, 21, 2, 260-261, https://doi.org/10.1002/ffj.1574
. [all data]
Ozel, Gogus, et al., 2006
Ozel, M.Z.; Gogus, F.; Lewis, A.C.,
Comparison of direct thermal desorption with water distillation and superheated water extraction for the analysis of volatile components of Rosa damascena Mill. using GCxGC-TOF/MS,
Anal. Chim. Acta., 2006, 566, 2, 172-177, https://doi.org/10.1016/j.aca.2006.03.014
. [all data]
Shen X., Gao Y., et al., 2006
Shen X.; Gao Y.; Su Q.D.,
Constituents of the essential oil of Rhizoma polygonati,
Flavour Fragr. J., 2006, 21, 3, 556-558, https://doi.org/10.1002/ffj.1666
. [all data]
Fan and Qian, 2005
Fan, W.; Qian, M.C.,
Headspace Solid Phase Microextraction and Gas Chromatography-Olfactometry Dilution Analysis of Young and Aged Chinese Yanghe Daqu Liquors,
J. Agric. Food Chem., 2005, 53, 20, 7931-7938, https://doi.org/10.1021/jf051011k
. [all data]
Leffingwell and Alford, 2005
Leffingwell, J.C.; Alford, E.D.,
Volatile constituents of Perique tobacco,
Electron. J. Environ. Agric. Food Chem., 2005, 4, 2, 899-915. [all data]
Sebastian, Viallon-Fernandez, et al., 2003
Sebastian, I.; Viallon-Fernandez, C.; Berge, P.; Berdague, J.-L.,
Analysis of the volatile fraction of lamb fat tissue: influence of the type of feeding,
Sciences des Aliments, 2003, 23, 4, 497-511, https://doi.org/10.3166/sda.23.497-511
. [all data]
de Beck, Bessière, et al., 2000
de Beck, P.O.; Bessière, J.M.; Dijoux-Franca, M.-G.; David, B.; Mariotte, A.-M.,
Volatile constituents from leaves and wood of Leea guineensis G. Don (Leeaceae) from Cameroon,
Flavour Fragr. J., 2000, 15, 3, 182-185, https://doi.org/10.1002/1099-1026(200005/06)15:3<182::AID-FFJ888>3.0.CO;2-X
. [all data]
Ong, Acree, et al., 1998
Ong, P.K.C.; Acree, T.E.; Lavin, E.H.,
Characterization of volatiles in rambutan fruit (Nephelium lappaceum L.),
J. Agric. Food Chem., 1998, 46, 2, 611-615, https://doi.org/10.1021/jf970665t
. [all data]
Buttery, Ling, et al., 1997
Buttery, R.G.; Ling, L.C.; Stern, D.J.,
Studies on popcorn aroma and flavor volatiles,
J. Agric. Food Chem., 1997, 45, 3, 837-843, https://doi.org/10.1021/jf9604807
. [all data]
King, Matthews, et al., 1995
King, M.-F.; Matthews, M.A.; Rule, D.C.; Field, R.A.,
Effect of beef packaging method on volatile compounds developed by oven roasting or microwave cooking,
J. Agric. Food Chem., 1995, 43, 3, 773-778, https://doi.org/10.1021/jf00051a039
. [all data]
King, Hamilton, et al., 1993
King, M.-F.; Hamilton, B.L.; Matthews, M.A.; Rule, D.C.; Field, R.A.,
Isolation and identification of volatiles and condensable material in raw beef with supercritical carbon dioxide extraction,
J. Agric. Food Chem., 1993, 41, 11, 1974-1981, https://doi.org/10.1021/jf00035a030
. [all data]
Berdague, Denoyer, et al., 1991
Berdague, J.-L.; Denoyer, C.; Le Quéré, J.-L.; Semon, E.,
Volatile components of dry-cured ham,
J. Agric. Food Chem., 1991, 39, 7, 1257-1261, https://doi.org/10.1021/jf00007a012
. [all data]
Notes
Go To: Top, Normal alkane 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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