Decanoic acid, ethyl ester
- Formula: C12H24O2
- Molecular weight: 200.3178
- IUPAC Standard InChIKey: RGXWDWUGBIJHDO-UHFFFAOYSA-N
- CAS Registry Number: 110-38-3
- 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: Capric acid, ethyl ester; Ethyl caprate; Ethyl caprinate; Ethyl decanoate; Ethyl decylate; n-Capric acid ethyl ester; Ethyl ester of decanoic acid; Ethyl n-decanoate; NSC 8909
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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 | DB-5 | DB-5 | HP-5 MS | VF-5MS | RTX-5 |
Column length (m) | 30. | 30. | 30. | 30. | 10. |
Carrier gas | Helium | Helium | Helium | Helium | He |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.32 | 0.25 | 0.18 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.2 |
Tstart (C) | 35. | 35. | 50. | 40. | 40. |
Tend (C) | 200. | 200. | 240. | 220. | 275. |
Heat rate (K/min) | 2. | 2. | 4. | 2. | 50. |
Initial hold (min) | 2. | 1. | 0.5 | ||
Final hold (min) | 10. | 30. | 0.5 | ||
I | 1374. | 1374. | 1397. | 1405. | 1407. |
Reference | Pattiram, Lasekan, et al., 2011 | Pattiram, Lasekan, et al., 2011 | Pino, Marquez, et al., 2010 | Fernandes, de Pinho, et al., 2009 | Setkova, Risticevic, et al., 2007 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-5 | DB-1 | DB-5 | DB-5 | DB-5 |
Column length (m) | 30. | 60. | 30. | 30. | 30. |
Carrier gas | He | Nitrogen | He | N2 | |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.25 | 0.32 | 0.32 | 0.25 |
Phase thickness (μm) | 0.25 | 1. | 1. | 0.25 | |
Tstart (C) | 40. | 40. | 40. | 40. | 40. |
Tend (C) | 250. | 200. | 250. | 230. | 240. |
Heat rate (K/min) | 4. | 2. | 4. | 6. | 4. |
Initial hold (min) | 2. | 1. | 2. | 2. | 2. |
Final hold (min) | 5. | 9. | 15. | 15. | |
I | 1394. | 1390. | 1394. | 1395. | 1397. |
Reference | Xu, Fan, et al., 2007 | Chen, Sheu, et al., 2006 | Fan and Qian, 2006 | Fan and Qian, 2006, 2 | El-Sayed, Heppelthwaite, et al., 2005 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-5 | HP-5MS | SPB-5 | SPB-5 | OV-101 |
Column length (m) | 30. | 30. | 30. | 60. | 50. |
Carrier gas | N2 | He | He | Helium | He |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.25 | 0.32 | 0.32 | 0.2 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 1.0 | 0.5 |
Tstart (C) | 40. | 60. | 40. | 30. | 50. |
Tend (C) | 250. | 285. | 220. | 230. | 250. |
Heat rate (K/min) | 4. | 4.3 | 5. | 3. | 2. |
Initial hold (min) | 2. | 1. | |||
Final hold (min) | 5. | 20. | |||
I | 1394. | 1394. | 1397. | 1390. | 1375. |
Reference | Fan and Qian, 2005 | Tesevic, Nikicevic, et al., 2005 | Ledauphin, Guichard, et al., 2003 | Sebastian, Viallon-Fernandez, et al., 2003 | Orav, Kailas, et al., 2002 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP-5 | OV-101 | BP-5 | BP-5 | DB-5 |
Column length (m) | 30. | 50. | 50. | 50. | 30. |
Carrier gas | H2 | Nitrogen | He | He | H2 |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.32 | 0.32 | 0.32 |
Phase thickness (μm) | 0.25 | 1. | 1. | 1. | |
Tstart (C) | 40. | 40. | 40. | 40. | 40. |
Tend (C) | 280. | 200. | 190. | 190. | 220. |
Heat rate (K/min) | 3. | 2. | 2. | 2. | 3. |
Initial hold (min) | 10. | 10. | 5. | 5. | |
Final hold (min) | 10. | ||||
I | 1396. | 1380. | 1399. | 1399. | 1395. |
Reference | Bicalho, Pereira, et al., 2000 | Tamura, Boonbumrung, et al., 2000 | Lopez, Ferreira, et al., 1999 | Ferreira, Ardanuy, et al., 1998 | Moio, Dekimpe, et al., 1993 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-5 | DB-5 | DB-1 | DB-1 | Ultra-1 |
Column length (m) | 30. | 60. | 30. | 30. | 25. |
Carrier gas | H2 | He | He | He | He |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.25 | 0.25 | 0.25 | 0.32 |
Phase thickness (μm) | 1. | 0.25 | 1.0 | 1.0 | 0.25 |
Tstart (C) | 40. | 40. | 40. | 40. | 80. |
Tend (C) | 220. | 200. | 250. | 250. | 260. |
Heat rate (K/min) | 3. | 3. | 3. | 3. | 3. |
Initial hold (min) | 2. | ||||
Final hold (min) | 30. | 30. | |||
I | 1397. | 1391. | 1378. | 1379. | 1375. |
Reference | Moio, Dekimpe, et al., 1993 | Shimoda, Shibamoto, et al., 1993 | Peppard, 1992 | Peppard, 1992 | Okumura, 1991 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-1 | DB-1 | OV-101 | OV-101 | OV-101 |
Column length (m) | 60. | 60. | 50. | 50. | 50. |
Carrier gas | He | He | N2 | N2 | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.28 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | |||
Tstart (C) | 50. | 50. | 80. | 80. | 80. |
Tend (C) | 240. | 240. | 200. | 200. | 200. |
Heat rate (K/min) | 3. | 3. | 2. | 2. | 2. |
Initial hold (min) | |||||
Final hold (min) | |||||
I | 1380. | 1383. | 1379. | 1379. | 1380. |
Reference | Shiota, 1991 | Shiota, 1991 | Anker, Jurs, et al., 1990 | Sugisawa, Yang, et al., 1989 | Sugisawa, Yang, et al., 1989 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|
Active phase | DB-1 | DB-1 | SE-30 | OV-1 |
Column length (m) | 60. | 60. | 183. | |
Carrier gas | He | He | Helium | N2 |
Substrate | ||||
Column diameter (mm) | 0.32 | 0.32 | 0.762 | |
Phase thickness (μm) | ||||
Tstart (C) | 30. | 30. | 70. | 0. |
Tend (C) | 210. | 210. | 170. | 230. |
Heat rate (K/min) | 2. | 2. | 2. | 1. |
Initial hold (min) | 4. | 4. | ||
Final hold (min) | ||||
I | 1379. | 1381. | 1393. | 1378. |
Reference | Takeoka and Butter, 1989 | Takeoka and Butter, 1989 | Alves and Jennings, 1979 | Schreyen, Dirinck, et al., 1979 |
Comment | MSDC-RI | 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.
Pattiram, Lasekan, et al., 2011
Pattiram, P.D.; Lasekan, O.; Tan, C.P.; Zaidul, I.S.M.,
Identification of the aroma-active constituents of the essential oils of Water Dropwort (Oenanthe javanica) and Kacip Fatimah (Labisia pumilia),
Int. Food Res. J., 2011, 18, 3, 1021-1026. [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]
Fernandes, de Pinho, et al., 2009
Fernandes, F.; de Pinho, P.G.; Valentao, P.; Pereira, J.A.; Andrade, P.B.,
Volatile constituents throughout Brassica oleracea L. var. acephala Germination,
J. Agric. Food Chem., 2009, 57, 15, 6795-6802, https://doi.org/10.1021/jf901532m
. [all data]
Setkova, Risticevic, et al., 2007
Setkova, L.; Risticevic, S.; Pawliszyn, J.,
Rapid headspace solid-phase microextraction-gas chromatographic?time-of-flight mass spectrometric method for qualitative profiling of ice wine volatile fraction II: Classification of Canadian and Czech ice wines using statistical evaluation of the data,
J. Chromatogr. A, 2007, 1147, 2, 224-240, https://doi.org/10.1016/j.chroma.2007.02.052
. [all data]
Xu, Fan, et al., 2007
Xu, Y.; Fan, W.; Qian, M.C.,
Characterization of Aroma Compounds in Apple Cider Using Solvent-Assisted Flavor Evaporation and Headspace Solid-Phase Microextraction,
J. Agric. Food Chem., 2007, 55, 8, 3051-3057, https://doi.org/10.1021/jf0631732
. [all data]
Chen, Sheu, et al., 2006
Chen, H.-C.; Sheu, M.-J.; Wu, C.-M.,
Characterization of Volatiles in Guava (Psidium guajava L. cv. Chung-Shan-Yueh-Pa) Fruit from Taiwan,
J. Food Drug. Anal., 2006, 14, 4, 398-402. [all data]
Fan and Qian, 2006
Fan, W.; Qian, M.C.,
Characterization of Aroma Compounds of Chinese Wuliangye and Jiannanchun Liquors by Aroma Extract Dilution Analysis,
J. Agric. Food Chem., 2006, 54, 7, 2695-2704, https://doi.org/10.1021/jf052635t
. [all data]
Fan and Qian, 2006, 2
Fan, W.; Qian, M.C.,
Identification of aroma compounds in Chinese 'Yanghe Daqu' liquor by normal phase chromatography fractionation followed by gas chromatography/olfactometry,
Flavour Fragr. J., 2006, 21, 2, 333-342, https://doi.org/10.1002/ffj.1621
. [all data]
El-Sayed, Heppelthwaite, et al., 2005
El-Sayed, A.M.; Heppelthwaite, V.J.; Manning, L.M.; Gibb, A.R.; Suckling, D.M.,
Volatile constituents of fermented sugar baits and their attraction to lepidopteran species,
J. Agric. Food Chem., 2005, 53, 4, 953-958, https://doi.org/10.1021/jf048521j
. [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]
Tesevic, Nikicevic, et al., 2005
Tesevic, V.; Nikicevic, N.; Jovanovic, A.; Djokovic, D.; Vujisic, L.; Vuckovic, I.; Bonic, M.,
Volatile components from old plum brandies,
Food Technol. Biotechnol., 2005, 43, 4, 367-372. [all data]
Ledauphin, Guichard, et al., 2003
Ledauphin, J.; Guichard, H.; Saint-Clair, J.-F.; Picoche, B.; Barillier, D.,
Chemical and sensorial aroma characterization of freshly distilled calvados. 2. Identification of volatile compounds and key odorants,
J. Agric. Food Chem., 2003, 51, 2, 433-442, https://doi.org/10.1021/jf020373e
. [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]
Orav, Kailas, et al., 2002
Orav, A.; Kailas, T.; Müürisepp, M.,
Composition of blackcurrant aroma isolated from leaves, buds, and berries of Ribes nigrum L.,
Proc. Est. Acad. Sci. Chem., 2002, 51, 4, 225-234. [all data]
Bicalho, Pereira, et al., 2000
Bicalho, B.; Pereira, A.S.; Aquino Neto, F.R.; Pinto, A.C.; Rezende, C.M.,
Application of high-temperature gas chromatography-mass spectrometry to the investigation of glycosidically bound components related to cashew applie (Anacardium occidentale L. Var. nanum) volatiles,
J. Agric. Food Chem., 2000, 48, 4, 1167-1174, https://doi.org/10.1021/jf9909252
. [all data]
Tamura, Boonbumrung, et al., 2000
Tamura, H.; Boonbumrung, S.; Yoshizawa, T.; Varanyanond, W.,
Volatile components of the essential oil in the pulp of four yellow mangoes (Mangifera indica L.) in Thailand,
Food Sci. Technol. Res., 2000, 6, 1, 68-73, https://doi.org/10.3136/fstr.6.68
. [all data]
Lopez, Ferreira, et al., 1999
Lopez, R.; Ferreira, V.; Hernandez, P.; Cacho, J.F.,
Identification of impact odorants of young red wines made with Merlot, Cabernet Sauvignon and Grenache grape varieties: a comparative study,
J. Sci. Food Agric., 1999, 79, 11, 1461-1467, https://doi.org/10.1002/(SICI)1097-0010(199908)79:11<1461::AID-JSFA388>3.0.CO;2-K
. [all data]
Ferreira, Ardanuy, et al., 1998
Ferreira, V.; Ardanuy, M.; López, R.; Cacho, J.F.,
Relationship between flavor dilution values and odor unit values in hydroalcoholic solutions: role of volatility and a practical rule for its estimation,
J. Agric. Food Chem., 1998, 46, 10, 4341-4346, https://doi.org/10.1021/jf980144l
. [all data]
Moio, Dekimpe, et al., 1993
Moio, L.; Dekimpe, J.; Etievant, P.; Addeo, F.,
Neutral volatile compounds in the raw milks from different species,
J. Dairy Res., 1993, 60, 2, 199-213, https://doi.org/10.1017/S0022029900027515
. [all data]
Shimoda, Shibamoto, et al., 1993
Shimoda, M.; Shibamoto, T.; Noble, A.C.,
Evaluation of heaspace volatiles of Cabernet Sauvignon wines sampled by an on-column method,
J. Agric. Food Chem., 1993, 41, 10, 1664-1668, https://doi.org/10.1021/jf00034a028
. [all data]
Peppard, 1992
Peppard, T.L.,
Volatile flavor constituents of Monstera deliciosa,
J. Agric. Food Chem., 1992, 40, 2, 257-262, https://doi.org/10.1021/jf00014a018
. [all data]
Okumura, 1991
Okumura, T.,
retention indices of environmental chemicals on methyl silicone capillary column,
Journal of Environmental Chemistry (Japan), 1991, 1, 2, 333-358, https://doi.org/10.5985/jec.1.333
. [all data]
Shiota, 1991
Shiota, H.,
Volatile components of pawpaw fruit (Asimina triloba Dunal.),
J. Agric. Food Chem., 1991, 39, 9, 1631-1635, https://doi.org/10.1021/jf00009a019
. [all data]
Anker, Jurs, et al., 1990
Anker, L.S.; Jurs, P.C.; Edwards, P.A.,
Quantitative structure-retention relationship studies of odor-active aliphatic compounds with oxygen-containing functional groups,
Anal. Chem., 1990, 62, 24, 2676-2684, https://doi.org/10.1021/ac00223a006
. [all data]
Sugisawa, Yang, et al., 1989
Sugisawa, H.; Yang, R.H.; Kawabata, C.; Tamura, H.,
Volatile constituents in the peel oil of sudachi (Citrus sudachi),
Agric. Biol. Chem., 1989, 53, 6, 1721-1723, https://doi.org/10.1271/bbb1961.53.1721
. [all data]
Takeoka and Butter, 1989
Takeoka, G.; Butter, R.G.,
Volatile constituents of pineapple (Ananas Comosus [L.] Merr.)
in Flavor Chemistry. Trends and Developments, Teranishi,R.; Buttery,R.G.; Shahidi,F., ed(s)., American Chemical Society, Washington, DC, 1989, 223-237. [all data]
Alves and Jennings, 1979
Alves, S.; Jennings, W.G.,
Volatile composition of certain Amazonian fruits,
Food Chem., 1979, 4, 2, 149-159, https://doi.org/10.1016/0308-8146(79)90039-6
. [all data]
Schreyen, Dirinck, et al., 1979
Schreyen, L.; Dirinck, P.; Sandra, P.; Schamp, N.,
Flavor analysis of quince,
J. Agric. Food Chem., 1979, 27, 4, 872-876, https://doi.org/10.1021/jf60224a058
. [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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