Octanoic acid
- Formula: C8H16O2
- Molecular weight: 144.2114
- 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, 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 | SPB-5 | DB-5 | HP-5MS | Mega 5MS | CP Sil 5 CB |
Column length (m) | 60. | 30. | 30. | 60. | 25. |
Carrier gas | He | He | He | He | |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 1. | 0.25 | 0.25 | 0.25 | 0.4 |
Tstart (C) | 40. | 40. | 80. | 60. | 60. |
Tend (C) | 230. | 250. | 300. | 240. | 260. |
Heat rate (K/min) | 3. | 5. | 4. | 3. | 5. |
Initial hold (min) | 2. | 2. | |||
Final hold (min) | 10. | 5. | 20. | ||
I | 1178. | 1182. | 1175.9 | 1190. | 1154. |
Reference | Engel and Ratel, 2007 | Wu, Zorn, et al., 2007 | Zeng, Zhao, et al., 2007 | Condurso, Verzera, et al., 2006 | Kafkas, Cabaroglu, et al., 2006 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-5MS | CP Sil 5 CB | CP Sil 5 CB | DB-5 | 5 % Phenyl methyl siloxane |
Column length (m) | 30. | 25. | 25. | 30. | 30. |
Carrier gas | H2 | H2 | He | N2 | He |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.4 | 0.25 | 1. | |
Tstart (C) | 30. | 80. | 80. | 40. | 40. |
Tend (C) | 250. | 270. | 270. | 230. | 250. |
Heat rate (K/min) | 2. | 10. | 10. | 5. | 7. |
Initial hold (min) | 2. | 2. | 10. | ||
Final hold (min) | 2. | 6. | 5. | ||
I | 1186. | 1156. | 1156. | 1186. | 1183. |
Reference | Schwambach and Peterson, 2006 | Ziegenbein, Hanssen, et al., 2006 | Ziegenbein, Hanssen, et al., 2006, 2 | Colahan-Sederstrom and Peterson, 2005 | Estevez, Ventanas, et al., 2005 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP-5MS | HP-5 | SPB-5 | SPB-5 | Ultra-2 |
Column length (m) | 30. | 30. | 30. | 30. | 25. |
Carrier gas | He | He | He | He | H2 |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.33 | |
Tstart (C) | 60. | 60. | 60. | 60. | 40. |
Tend (C) | 250. | 260. | 250. | 250. | 280. |
Heat rate (K/min) | 4. | 3. | 4. | 4. | 3. |
Initial hold (min) | 2. | 2. | 2. | 2. | |
Final hold (min) | 20. | 20. | 20. | 10. | |
I | 1180. | 1178. | 1193. | 1187. | 1179. |
Reference | Pino, Mesa, et al., 2005 | Javidnia, Miri, et al., 2004 | Píno, Marbot, et al., 2004 | Pino, Marbot, et al., 2004 | Ceva-Antunes, Bizzo, et al., 2003 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP-5MS | CP Sil 5 CB | SPB-5 | DB-5 | CP Sil 5 CB |
Column length (m) | 60. | 60. | 30. | 30. | 50. |
Carrier gas | He | He | He | He | H2 |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.32 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.15 |
Tstart (C) | 40. | 60. | 60. | 70. | 40. |
Tend (C) | 310. | 280. | 250. | 230. | 300. |
Heat rate (K/min) | 3. | 3. | 4. | 4. | 4. |
Initial hold (min) | 1. | 10. | 2. | 2. | 3. |
Final hold (min) | 20. | 60. | 20. | 20. | |
I | 1170. | 1167. | 1180. | 1192. | 1190. |
Reference | Lalel, Singh, et al., 2003 | Pino, Almora, et al., 2003 | Pino, Marbot, et al., 2003 | Choi, Kim. M.-S.L., et al., 2002 | Heinrich, Pfeifhofer, et al., 2002 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | CP Sil 5 CB | DB-5 | BPX-5 | BPX-5 | OV-1 |
Column length (m) | 50. | 30. | 50. | 50. | 20. |
Carrier gas | He | H2 | He | He | He |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.25 | 0.32 | 0.32 | 0.32 |
Phase thickness (μm) | 0.4 | 0.25 | 0.25 | 0.25 | 0.3 |
Tstart (C) | 60. | 60. | 50. | 50. | 45. |
Tend (C) | 280. | 240. | 250. | 250. | 220. |
Heat rate (K/min) | 3. | 3. | 4. | 4. | 10. |
Initial hold (min) | 10. | 5. | 5. | 5. | |
Final hold (min) | 60. | 5. | 5. | 10. | |
I | 1166. | 1183. | 1182. | 1186. | 1181. |
Reference | Pino, Marbot, et al., 2002 | Nogueira, Bittrich, et al., 2001 | Mandin, Duckham, et al., 1999 | Mandin, Duckham, et al., 1999 | Valero, Sanz, et al., 1999 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary |
---|---|
Active phase | SE-30 |
Column length (m) | 22. |
Carrier gas | N2 |
Substrate | |
Column diameter (mm) | 0.30 |
Phase thickness (μm) | 1.0 |
Tstart (C) | 60. |
Tend (C) | 250. |
Heat rate (K/min) | 2. |
Initial hold (min) | |
Final hold (min) | |
I | 1188. |
Reference | de Frutos, Sanz, et al., 1991 |
Comment | MSDC-RI |
References
Go To: Top, Van Den Dool and Kratz 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.
Engel and Ratel, 2007
Engel, E.; Ratel, J.,
Correction of the data generated by mass spectrometry analyses of biological tissues: Application to food authentication,
J. Chromatogr. A, 2007, 1154, 1-2, 331-341, https://doi.org/10.1016/j.chroma.2007.02.012
. [all data]
Wu, Zorn, et al., 2007
Wu, S.; Zorn, H.; Krings, U.; Berger, R.G.,
Volatiles from submerged and surface-cultured beefsteak fungus, Fistulina hepatica,
Flavour Fragr. J., 2007, 22, 1, 53-60, https://doi.org/10.1002/ffj.1758
. [all data]
Zeng, Zhao, et al., 2007
Zeng, Y.-X.; Zhao, C.-X.; Liang, Y.-Z.; Yang, H.; Fang, H.-Z.; Yi, L.-Z.; Zeng, Z.-D.,
Comparative analysis of volatile components from Clematis species growing in China,
Anal. Chim. Acta., 2007, 595, 1-2, 328-339, https://doi.org/10.1016/j.aca.2006.12.022
. [all data]
Condurso, Verzera, et al., 2006
Condurso, C.; Verzera, A.; Romeo, V.; Ziino, M.; Trozzi, A.; Ragusa, S.,
The leaf volatile constituents of Isatis tinctoria by solid-phase microextraction and gas chromatography/mass spectrometry,
Planta Medica, 2006, 72, 10, 924-928, https://doi.org/10.1055/s-2006-946679
. [all data]
Kafkas, Cabaroglu, et al., 2006
Kafkas, E.; Cabaroglu, T.; Selli, S.; Bozdogan, A.; Kürkçüoglu, M.; Paydas, S.; Baser, K.H.C.,
Identification of volatile aroma compounds of strawberry wine using solid-phase microextraction techniques coupled with gas chromatography-mass spectrometry,
Flavour Fragr. J., 2006, 21, 1, 68-71, https://doi.org/10.1002/ffj.1503
. [all data]
Schwambach and Peterson, 2006
Schwambach, S.L.; Peterson, D.G.,
Reduction of Stale Flavor Development in Low-Heat Skim Milk Powder via Epicatechin Addition,
J. Agric. Food Chem., 2006, 54, 2, 502-508, https://doi.org/10.1021/jf0519764
. [all data]
Ziegenbein, Hanssen, et al., 2006
Ziegenbein, F.C.; Hanssen, H.-P.; König, W.A.,
Secondary metabolites from Ganoderma lucidum and Spongiporus leucomallellus,
Phytochemistry, 2006, 67, 2, 202-211, https://doi.org/10.1016/j.phytochem.2005.10.025
. [all data]
Ziegenbein, Hanssen, et al., 2006, 2
Ziegenbein, F.C.; Hanssen, H.-P.; König, W.A.,
Chemical constituents of the essential oils of three wood-rotting fungi,
Flavour Fragr. J., 2006, 21, 5, 813-816, https://doi.org/10.1002/ffj.1732
. [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]
Estevez, Ventanas, et al., 2005
Estevez, M.; Ventanas, S.; Ramirez, R.; Cava, R.,
Influence of the Addition of Rosemary Essential Oil on the Volatiles Pattern of Porcine Frankfurters,
J. Agric. Food Chem., 2005, 53, 21, 8317-8324, https://doi.org/10.1021/jf051025q
. [all data]
Pino, Mesa, et al., 2005
Pino, J.A.; Mesa, J.; Muñoz, Y.; Martí, M.P.; Marbot, R.,
Volatile components from mango (Mangifera indica L.) cultivars,
J. Agric. Food Chem., 2005, 53, 6, 2213-2223, https://doi.org/10.1021/jf0402633
. [all data]
Javidnia, Miri, et al., 2004
Javidnia, K.; Miri, R.; Kamalinejad, M.; Sarkarzadeh, H.; Jamalian, A.,
Chemical composition of the essential oils of Anthemis altissima L. grown in Iran,
Flavour Fragr. J., 2004, 19, 3, 213-216, https://doi.org/10.1002/ffj.1277
. [all data]
Píno, Marbot, et al., 2004
Píno, J.A.; Marbot, R.; Vázquez, C.,
Volatile components of the fruits of Vangueria madagascariensis J. F. Gmel. from Cuba,
J. Essent. Oil Res., 2004, 16, 4, 302-304, https://doi.org/10.1080/10412905.2004.9698727
. [all data]
Pino, Marbot, et al., 2004
Pino, J.A.; Marbot, R.; Vazquez, C.,
Volatile components of tamarind (Tamarindus indica L.) grown in Cuba,
J. Essent. Oil Res., 2004, 16, 4, 318-320, https://doi.org/10.1080/10412905.2004.9698731
. [all data]
Ceva-Antunes, Bizzo, et al., 2003
Ceva-Antunes, P.M.N.; Bizzo, H.R.; Alves, S.M.; Antunes, O.A.C.,
Analysis of volatile compounds of taperebá (Spondias mombin L.) and Cajá (Spondias mombin L.) by simultaneous distillation and extraction (SDE) and solid phase microextraction (SPME),
J. Agric. Food Chem., 2003, 51, 5, 1387-1392, https://doi.org/10.1021/jf025873m
. [all data]
Lalel, Singh, et al., 2003
Lalel, H.J.D.; Singh, Z.; Chye Tan, S.,
Glycosidically-bound aroma volatile compounds in the skin and pulp of 'Kensington Pride' mango fruit at different stages of maturity,
Postharvest Biol. Technol., 2003, 29, 2, 205-218, https://doi.org/10.1016/S0925-5214(02)00250-8
. [all data]
Pino, Almora, et al., 2003
Pino, J.; Almora, K.; Marbot, R.,
Volatile components of papaya (Carica papaya L., maradol variety) fruit,
Flavour Fragr. J., 2003, 18, 6, 492-496, https://doi.org/10.1002/ffj.1248
. [all data]
Pino, Marbot, et al., 2003
Pino, J.; Marbot, R.; Rosado, A.; Vázquez, C.,
Volatile constituents of fruits of Garcinia dulcis Kurz. from Cuba,
Flavour Fragr. J., 2003, 18, 4, 271-274, https://doi.org/10.1002/ffj.1187
. [all data]
Choi, Kim. M.-S.L., et al., 2002
Choi, H.-S.; Kim. M.-S.L.; Sawamura, M.,
Constituents of the essential oil of cnidium officinale Makino, a Korean medicinal plant,
Flavour Fragr. J., 2002, 17, 1, 49-53, https://doi.org/10.1002/ffj.1038
. [all data]
Heinrich, Pfeifhofer, et al., 2002
Heinrich, G.; Pfeifhofer, H.W.; Stabentheiner, E.; Sawidis, T.,
Glandular hairs of Sigesbeckia jorullensis Kunth (Asteraceae): morphology, histochemistry and composition of essential oil,
Ann. Bot. Rome, 2002, 89, 4, 459-469, retrieved from http://www.aob.oupjournals.org, https://doi.org/10.1093/aob/mcf062
. [all data]
Pino, Marbot, et al., 2002
Pino, J.A.; Marbot, R.; Vázquez, C.,
Characterization of volatile in Cosa Rican Guava [Psidium friedrichsthalianum (Berg) Niedenzu] fruit,
J. Agric. Food Chem., 2002, 50, 21, 6023-6026, https://doi.org/10.1021/jf011456i
. [all data]
Nogueira, Bittrich, et al., 2001
Nogueira, P.C.L.; Bittrich, V.; Shepherd, G.J.; Lopes, A.V.; Marsaioli, A.J.,
The ecological and taxonomic importance of flower volatiles of Clusia species (Guttiferae),
Phytochemistry, 2001, 56, 5, 443-452, https://doi.org/10.1016/S0031-9422(00)00213-2
. [all data]
Mandin, Duckham, et al., 1999
Mandin, O.; Duckham, S.C.; Ames, J.M.,
Volatile compounds from potato-like model systems,
J. Agric. Food Chem., 1999, 47, 6, 2355-2359, https://doi.org/10.1021/jf981277+
. [all data]
Valero, Sanz, et al., 1999
Valero, E.; Sanz, J.; Martinez-Castro, I.,
Volatile components in microwave- and conventionally-heated milk,
Food Chem., 1999, 66, 3, 333-338, https://doi.org/10.1016/S0308-8146(99)00069-2
. [all data]
de Frutos, Sanz, et al., 1991
de Frutos, M.; Sanz, J.; Martinez-Castro, I.,
Characterization of artisanal cheeses by GC and GC/MS analysis of their medium volatility (SDE) fraction,
J. Agric. Food Chem., 1991, 39, 3, 524-530, https://doi.org/10.1021/jf00003a019
. [all data]
Notes
Go To: Top, Van Den Dool and Kratz 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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