Octanoic acid
- Formula: C8H16O2
- Molecular weight: 144.2114
- IUPAC Standard InChI: InChI=1S/C8H16O2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H,9,10)
- IUPAC Standard InChIKey: WWZKQHOCKIZLMA-UHFFFAOYSA-N
- CAS Registry Number: 124-07-2
- 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: n-Caprylic acid; n-Octanoic acid; n-Octoic acid; n-Octylic acid; Neo-Fat 8; Caprylic acid; Enantic acid; Octylic acid; 1-Heptanecarboxylic acid; Heptane-1-carboxylic acid; Octic acid; Hexacid 898; C-8 Acid; Kyselina kaprylova; Lunac 8-95; Emery 657; Octoic acid; Prifac 2901; 1-Octanoic acid; NSC 5024; Prifrac 2901
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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-FFAP | FFAP | DB-Wax | HP-Innowax |
| Column length (m) | 30. | 30. | 30. | 30. | 60. |
| Carrier gas | He | He | He | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.5 | 0.5 | 0.25 | 0.5 | 0.25 |
| Tstart (C) | 35. | 35. | 35. | 40. | 50. |
| Tend (C) | 225. | 225. | 225. | 250. | 220. |
| Heat rate (K/min) | 4. | 4. | 10. | 4. | 4. |
| Initial hold (min) | 5. | 5. | 5. | 5. | 4. |
| Final hold (min) | 30. | 30. | 25. | 15. | 10. |
| I | 2046. | 2055. | 2028. | 2067. | 2039. |
| Reference | Jarunrattanasri, Theerakulkait, et al., 2007 | Jarunrattanasri, Theerakulkait, et al., 2007 | Lozano P.R., Drake M., et al., 2007 | Pozo-Bayon M.A., Ruiz-Rodriguez A., et al., 2007 | Quijano, Linares, et al., 2007 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | FFAP | ZB-Wax | DB-Wax | DB-Wax | DB-Wax |
| Column length (m) | 30. | 30. | 60. | 60. | 30. |
| Carrier gas | He | He | He | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.32 | 0.25 | 0.25 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.5 | |
| Tstart (C) | 40. | 40. | 40. | 40. | 40. |
| Tend (C) | 240. | 250. | 200. | 265. | 265. |
| Heat rate (K/min) | 8. | 5. | 4. | 7. | 7. |
| Initial hold (min) | 2. | 2. | 1. | ||
| Final hold (min) | 5. | 5. | 10. | 5. | 5. |
| I | 2050. | 2070. | 2072. | 2086. | 2089. |
| Reference | Schlutt B., Moran N., et al., 2007 | Wu, Zorn, et al., 2007 | Cho, Choi, et al., 2006 | Gurbuz O., Rouseff J.M., et al., 2006 | Gurbuz O., Rouseff J.M., et al., 2006 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | Innowax | DB-Wax | LM-120 | DB-FFAP | OV-351 |
| Column length (m) | 60. | 30. | 50. | 30. | 50. |
| Carrier gas | He | He | H2 | He | |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.5 | 0.25 | 0.2 |
| Tstart (C) | 40. | 50. | 50. | 30. | 60. |
| Tend (C) | 230. | 220. | 240. | 230. | 220. |
| Heat rate (K/min) | 4. | 4. | 3. | 3. | 5. |
| Initial hold (min) | 4. | 4. | 2. | ||
| Final hold (min) | 20. | 20. | 30. | 4. | |
| I | 2060. | 2038. | 2024. | 2068. | 2013. |
| Reference | Lee, Lee, et al., 2006 | Osorio, Alarcon, et al., 2006 | Pinto, Guedes, et al., 2006 | Schwambach and Peterson, 2006 | Bonvehí, 2005 |
| 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-FFAP | Stabilwax | Stabilwax |
| Column length (m) | 30. | 60. | 30. | 60. | 30. |
| Carrier gas | N2 | N2 | He | N2 | |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 1. |
| Tstart (C) | 40. | 70. | 40. | 40. | 40. |
| Tend (C) | 200. | 230. | 230. | 240. | 230. |
| Heat rate (K/min) | 10. | 2. | 5. | 3. | 4. |
| Initial hold (min) | 3. | 2. | 2. | 5. | 2. |
| Final hold (min) | 20. | 20. | 6. | 10. | 10. |
| I | 2051. | 2084. | 2052. | 2068. | 2083. |
| Reference | Carunchia Whetstine, Croissant, et al., 2005 | Choi, 2005 | Colahan-Sederstrom and Peterson, 2005 | Cros, Lignot, et al., 2005 | Fang and Qian, 2005 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-Wax | Supelcowax-10 | Carbowax 20M | DB-Wax | ZB-Wax |
| Column length (m) | 60. | 30. | 60. | 30. | 30. |
| Carrier gas | He | 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 | 0.15 |
| Tstart (C) | 45. | 60. | 45. | 40. | 35. |
| Tend (C) | 250. | 240. | 250. | 200. | 220. |
| Heat rate (K/min) | 5. | 3. | 2. | 10. | 1.8 |
| Initial hold (min) | 1. | 5. | 0.17 | 5. | 10. |
| Final hold (min) | 12. | 10. | 15. | 10. | |
| I | 2052. | 2068. | 2022. | 2030. | 2069. |
| Reference | Malliaa, Fernandez-Garcia, et al., 2005 | Riu-Aumatell, Lopez-Tamames, et al., 2005 | Verzera, Campisi, et al., 2005 | Avsar, Karagul-Yuceer, et al., 2004 | Ledauphin, Saint-Clair, 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 | DB-Wax Etr | DB-Wax | DB-Wax | DB-Wax |
| Column length (m) | 30. | 30. | 30. | 60. | 60. |
| Carrier gas | He | He | He | N2 | He |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.5 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 40. | 40. | 40. | 70. | 40. |
| Tend (C) | 230. | 245. | 250. | 230. | 210. |
| Heat rate (K/min) | 5. | 3. | 3. | 2. | 2. |
| Initial hold (min) | 2. | 3. | 2. | ||
| Final hold (min) | 10. | 20. | 20. | 20. | 40. |
| I | 2072. | 2046. | 2034. | 2083. | 2045. |
| Reference | Mahajan, Goddik, et al., 2004 | Ménager, Jost, et al., 2004 | Brat, Rega, et al., 2003 | Choi, 2003 | Chyau, Ko, et al., 2003 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | Stabilwax | DB-FFAP | AT-Wax | DB-Wax | DB-Wax |
| Column length (m) | 60. | 30. | 60. | 30. | 60. |
| Carrier gas | He | He | He | N2 | |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.32 | 0.32 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.5 | 0.25 |
| Tstart (C) | 40. | 35. | 65. | 35. | 70. |
| Tend (C) | 240. | 200. | 250. | 240. | 230. |
| Heat rate (K/min) | 3. | 10. | 2. | 5. | 2. |
| Initial hold (min) | 5. | 5. | 10. | 5. | |
| Final hold (min) | 10. | 30. | 60. | 5. | 20. |
| I | 2068. | 2054. | 2034. | 2091. | 2082. |
| Reference | Cros, Vandanjon, et al., 2003 | Karagül-Yüceer, Vlahovich, et al., 2003 | Pino, Almora, et al., 2003 | Rega, Fournier, et al., 2003 | Choi, Kim. M.-S.L., et al., 2002 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-Wax | DB-FFAP | DB-FFAP | AT-Wax | DB-Wax |
| Column length (m) | 60. | 30. | 30. | 60. | 30. |
| Carrier gas | He | He | |||
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.25 | 0.25 | 0.32 | 0.25 |
| Phase thickness (μm) | 0.5 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 67. | 35. | 35. | 65. | 35. |
| Tend (C) | 235. | 200. | 200. | 250. | 200. |
| Heat rate (K/min) | 2.7 | 10. | 10. | 2. | 10. |
| Initial hold (min) | 5. | 5. | 10. | 5. | |
| Final hold (min) | 30. | 30. | 30. | 60. | 30. |
| I | 2075. | 2030. | 2044. | 2042. | 2048. |
| Reference | Claudela, Dirningera, et al., 2002 | Karagül-Yüceer, Cadwallader, et al., 2002 | Karagül-Yüceer, Cadwallader, et al., 2002 | Pino, Marbot, et al., 2002 | Karagül-Yüceer, Drake, et al., 2001 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | CP-Wax 52CB | DB-Wax | CP-Wax 52CB | DB-FFAP | DB-Wax |
| Column length (m) | 50. | 60. | 60. | 30. | 60. |
| Carrier gas | H2 | He | He | H2 | N2 |
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.25 | 0.25 | 0.32 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | |
| Tstart (C) | 50. | 50. | 45. | 40. | 70. |
| Tend (C) | 200. | 230. | 250. | 240. | 230. |
| Heat rate (K/min) | 2. | 2. | 2. | 5. | 2. |
| Initial hold (min) | 0.17 | 2. | 2. | ||
| Final hold (min) | 60. | 20. | |||
| I | 2028. | 2069. | 2022. | 2065. | 2084. |
| Reference | Liu, Yang, et al., 2001 | Shimoda, Yoshimura, et al., 2001 | Verzera, Campisi, et al., 2001 | Charles, Martin, et al., 2000 | Choi and Sawamura, 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. | 60. | 30. |
| Carrier gas | H2 | H2 | He | H2 | |
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.32 | 0.53 | 0.25 | 0.32 |
| Phase thickness (μm) | 1. | 1. | 1. | 0.25 | 1. |
| Tstart (C) | 40. | 40. | 40. | 40. | 40. |
| Tend (C) | 210. | 210. | 220. | 200. | 210. |
| Heat rate (K/min) | 3. | 3. | 5. | 3. | 3. |
| Initial hold (min) | 3. | 5. | |||
| Final hold (min) | 30. | 60. | |||
| I | 2083. | 2083. | 2106. | 2061. | 2083. |
| Reference | Moio, Piombino, et al., 2000 | Moio, Piombino, et al., 2000 | Peng, 2000 | Cha, Kim, et al., 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 | DB-Wax | DB-Wax | DB-Wax |
| Column length (m) | 30. | 30. | 30. | 30. | 30. |
| Carrier gas | H2 | H2 | He | He | |
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.32 | 0.32 | 0.25 | 0.25 |
| Phase thickness (μm) | 1. | 1. | 0.5 | 0.25 | 0.25 |
| Tstart (C) | 40. | 40. | 40. | 20. | 20. |
| Tend (C) | 210. | 210. | 245. | 200. | 200. |
| Heat rate (K/min) | 3. | 3. | 3. | 4. | 4. |
| Initial hold (min) | 3. | 5. | 5. | ||
| Final hold (min) | 20. | 10. | 10. | ||
| I | 2083. | 2083. | 2033. | 2059. | 2060. |
| Reference | Moio and Addeo, 1998 | Moio and Addeo, 1998 | Ollé, Baumes, et al., 1998 | Ott, Fay, et al., 1997 | Ott, Fay, et al., 1997 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | PEG-20M | DB-Wax | DB-Wax | DB-Wax | DB-Wax |
| Column length (m) | 60. | 60. | 60. | 30. | 60. |
| Carrier gas | He | He | He | 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 | |
| Tstart (C) | 50. | 50. | 50. | 40. | 50. |
| Tend (C) | 230. | 230. | 230. | 200. | 230. |
| Heat rate (K/min) | 2. | 2. | 3. | 2. | 2. |
| Initial hold (min) | 5. | ||||
| Final hold (min) | 60. | 60. | 60. | ||
| I | 2062. | 2062. | 2048. | 2063. | 2075. |
| Reference | Shimoda, Nakada, et al., 1997 | Shimoda, Shiratsuchi, et al., 1996 | Shimoda, Wu, et al., 1996 | Iwaoka, Hagi, et al., 1994 | Shiratsuchi, Shimoda, et al., 1994 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-Wax | DB-Wax | CP-Wax 58CB | DB-Wax | DB-Wax |
| Column length (m) | 30. | 30. | 30. | 30. | 30. |
| Carrier gas | He | He | He | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.22 | 0.25 | 0.25 | |
| Tstart (C) | 40. | 50. | 40. | 50. | 50. |
| Tend (C) | 200. | 240. | 220. | 250. | 250. |
| Heat rate (K/min) | 2. | 4. | 3. | 4. | 4. |
| Initial hold (min) | 10. | 3. | 3. | 3. | |
| Final hold (min) | |||||
| I | 2056. | 2050. | 2035. | 2039. | 2040. |
| Reference | Umano, Hagi, et al., 1992 | Krammer, Winterhalter, et al., 1991 | Pabst, Barron, et al., 1991 | Fröhlich, Duque, et al., 1989 | Fröhlich, Duque, et al., 1989 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary |
|---|---|
| Active phase | Carbowax 20M |
| Column length (m) | 50. |
| Carrier gas | He |
| Substrate | |
| Column diameter (mm) | 0.32 |
| Phase thickness (μm) | |
| Tstart (C) | 50. |
| Tend (C) | 200. |
| Heat rate (K/min) | 2. |
| Initial hold (min) | 5. |
| Final hold (min) | 40. |
| I | 2035. |
| Reference | Chen, Kuo, et al., 1986 |
| Comment | 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
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Lozano P.R., Drake M., et al., 2007
Lozano P.R.; Drake M.; Benitez D.; Cadwallader K.R.,
Instrumental and sensory characterization of heat-induced odorants in aseptically packaged soy milk,
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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
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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,
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Sensory-directed identification of creaminess-enhancing volatiles and semivolatiles in full-fat cream,
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Wu, Zorn, et al., 2007
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Volatiles from submerged and surface-cultured beefsteak fungus, Fistulina hepatica,
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Cho, Choi, et al., 2006
Cho, I.H.; Choi, H.-K.; Kim, Y.-S.,
Difference in the volatile composition of pine-mushrooms (Tricholoma matsutake Sing.) according to their grades,
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Gurbuz O., Rouseff J.M., et al., 2006
Gurbuz O.; Rouseff J.M.; Rouseff R.L.,
Comparison of aroma volatiles in commercial Merlot and Cabernet Sauvignon wines using gas chromatography - Olfactometry and gas chromatography - Mass spectrometry,
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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,
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Osorio, Alarcon, et al., 2006
Osorio, C.; Alarcon, M.; Moreno, C.; Bonilla, A.; Barrios, J.; Garzon, C.; Duque, C.,
Characterization of Odor-Active Volatiles in Champa ( Campomanesia lineatifolia R. P.),
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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,
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Schwambach and Peterson, 2006
Schwambach, S.L.; Peterson, D.G.,
Reduction of Stale Flavor Development in Low-Heat Skim Milk Powder via Epicatechin Addition,
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Bonvehí, 2005
Bonvehí, J.S.,
Investigation of aromatic compounds in roasted cocoa powder,
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Carunchia Whetstine, Croissant, et al., 2005
Carunchia Whetstine, M.E.; Croissant, A.E.; Drake, M.A.,
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Choi, 2005
Choi, H.-S.,
Characteristic odor components of kumquat (Fortunella japonica Swingle) peel oil,
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Colahan-Sederstrom and Peterson, 2005
Colahan-Sederstrom, P.M.; Peterson, D.G.,
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Cros, Lignot, et al., 2005
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Malliaa, Fernandez-Garcia, et al., 2005
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Riu-Aumatell, Lopez-Tamames, et al., 2005
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Notes
Go To: Top, Van Den Dool and Kratz RI, polar column, temperature ramp, References
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