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, 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 | Innowax | DB-Wax | Innowax | DB-Wax | DB-Wax |
Column length (m) | 30. | 30. | 30. | 30. | 30. |
Carrier gas | Helium | Helium | He | He | |
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 | 0.25 |
Tstart (C) | 40. | 40. | 40. | 40. | 40. |
Tend (C) | 250. | 230. | 200. | 230. | 230. |
Heat rate (K/min) | 8. | 3. | 10. | 4. | 4. |
Initial hold (min) | 1. | 2. | 5. | 2. | 2. |
Final hold (min) | 2.75 | 5. | 15. | 5. | 15. |
I | 1639. | 1638. | 1640. | 1610. | 1610. |
Reference | Siristova, Prinosilova, et al., 2012 | Zhao, Xu, et al., 2009 | Kaypak and Avsar, 2008 | Xu, Fan, et al., 2007 | Fan and Qian, 2006 |
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 Etr | DB-Wax | DB-Wax |
Column length (m) | 30. | 60. | 30. | 30. | 60. |
Carrier gas | N2 | He | He | N2 | Nitrogen |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.25 | 0.25 | 0.32 | 0.32 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.50 |
Tstart (C) | 40. | 40. | 40. | 40. | 35. |
Tend (C) | 230. | 230. | 220. | 230. | 235. |
Heat rate (K/min) | 6. | 2. | 2. | 4. | 2. |
Initial hold (min) | 2. | 5. | 1. | 2. | 4. |
Final hold (min) | 15. | 100. | 10. | 5. | 30. |
I | 1634. | 1644. | 1659. | 1625. | 1647. |
Reference | Fan and Qian, 2006, 2 | Ibarz, Ferreira, et al., 2006 | Perestrelo, Fernandes, et al., 2006 | Fan and Qian, 2005 | Qian and Wang, 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 | HP-FFAP | DB-Wax | Supelcowax-10 |
Column length (m) | 60. | 30. | 25. | 30. | 60. |
Carrier gas | He | He | He | He | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.32 | 0.32 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.52 | 0.25 | 0.25 |
Tstart (C) | 40. | 40. | 60. | 50. | 60. |
Tend (C) | 220. | 185. | 240. | 210. | 280. |
Heat rate (K/min) | 3. | 4. | 5. | 2. | 4. |
Initial hold (min) | 5. | 4. | 1. | 2. | |
Final hold (min) | 20. | 5. | |||
I | 1648. | 1630. | 1615. | 1665. | 1632. |
Reference | López, Ezpeleta, et al., 2004 | Lee and Noble, 2003 | Qian and Reineccius, 2002 | Ebeler, Terrien, et al., 2000 | Korány, Mednyánszky, et al., 2000 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | Supelcowax-10 | DB-Wax | Carbowax 20M | Supelcowax-10 | Carbowax 20M |
Column length (m) | 60. | 60. | 60. | 60. | 60. |
Carrier gas | He | Nitrogen | He | H2 | He |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.32 | 0.32 | 0.32 |
Phase thickness (μm) | 0.25 | 0.5 | 0.5 | 0.5 | |
Tstart (C) | 60. | 40. | 40. | 35. | 40. |
Tend (C) | 280. | 200. | 190. | 250. | 190. |
Heat rate (K/min) | 4. | 2. | 2. | 5. | 2. |
Initial hold (min) | 10. | 5. | 5. | 5. | |
Final hold (min) | 20. | ||||
I | 1642. | 1645. | 1634. | 1678. | 1634. |
Reference | Korány, Mednyánszky, et al., 2000 | Tamura, Boonbumrung, et al., 2000 | Lopez, Ferreira, et al., 1999 | Campeanu, Burcea, et al., 1998 | Ferreira, Ardanuy, et al., 1998 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | Carbowax 20M | Carbowax 20M | DB-Wax | Carbowax 20M | SP-1000 |
Column length (m) | 60. | 60. | 60. | 80. | 25. |
Carrier gas | He | He | He | N2 | |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.25 | 0.2 | 0.2 |
Phase thickness (μm) | 0.5 | 0.5 | 0.43 | ||
Tstart (C) | 40. | 40. | 50. | 70. | 60. |
Tend (C) | 190. | 190. | 200. | 170. | 190. |
Heat rate (K/min) | 2. | 2. | 3. | 2. | 4. |
Initial hold (min) | 5. | 5. | |||
Final hold (min) | 40. | 30. | |||
I | 1634. | 1634. | 1637. | 1624. | 1644. |
Reference | Ferreira, Ardanuy, et al., 1998 | Ferreira, Lopez, et al., 1998 | Wada and Shibamoto, 1997 | Anker, Jurs, et al., 1990 | De Llano D.G., Ramos M., et al., 1990 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | Carbowax 20M | Carbowax 20M | Carbowax 20M | Carbowax 20M | BP-20 |
Column length (m) | 50. | 50. | 50. | 50. | 25. |
Carrier gas | N2 | N2 | N2 | N2 | |
Substrate | |||||
Column diameter (mm) | 0.22 | 0.22 | 0.22 | 0.22 | 0.2 |
Phase thickness (μm) | |||||
Tstart (C) | 80. | 80. | 80. | 80. | 70. |
Tend (C) | 200. | 200. | 200. | 200. | 180. |
Heat rate (K/min) | 3. | 3. | 3. | 3. | 3. |
Initial hold (min) | 5. | ||||
Final hold (min) | |||||
I | 1626. | 1626. | 1626. | 1626. | 1624. |
Reference | Mihara, Tateba, et al., 1988 | Mihara, Tateba, et al., 1988 | Mihara, Tateba, et al., 1987 | Mihara, Tateba, et al., 1987 | MacLeod and Snyder, 1985 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane 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.
Siristova, Prinosilova, et al., 2012
Siristova, L.; Prinosilova, S.; Riddellova, K.; Hajslova, J.; Malzoch, K.,
Changes in quality parameters of vodka filtered through activated charcoal,
Czech J. Food Sci., 2012, 30, 5, 474-482. [all data]
Zhao, Xu, et al., 2009
Zhao, Y.; Xu, Y.; Li, J.; Fan, W.; Jiang, W.,
Profile of volatile compounds in 11 brandies by headspace solid-phase microextraction followed by gas chromatography-mass spectrometry,
J. Food. Sci., 2009, 74, 2, c90-c99, https://doi.org/10.1111/j.1750-3841.2008.01029.x
. [all data]
Kaypak and Avsar, 2008
Kaypak, D.; Avsar, Y.K.,
Volatile and odor-active compounds of tuzlu yoghurt,
Asian J. Chem., 2008, 20, 5, 3641-3648. [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]
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]
Ibarz, Ferreira, et al., 2006
Ibarz, M.J.; Ferreira, V.; Hernández-Orte, P.; Loscos, N.; Cacho, J.,
Optimization and evaluation of a procedure for the gas chromatographic-mass spectrometric analysis of the aromas generated by fast acid hydrolysis of flavor precursors extracted from grapes,
J. Chromatogr. A, 2006, 1116, 1-2, 217-229, https://doi.org/10.1016/j.chroma.2006.03.020
. [all data]
Perestrelo, Fernandes, et al., 2006
Perestrelo, R.; Fernandes, A.; Albuquerque, F.F.; Marques, J.C.; Camara, J.S.,
Analytical characterization of the aroma of Tinta Negra Mole red wine: Identification of the main odorants compounds,
Anal. Chim. Acta., 2006, 563, 1-2, 154-164, https://doi.org/10.1016/j.aca.2005.10.023
. [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]
Qian and Wang, 2005
Qian, M.C.; Wang, Y.,
Seasonal Variations of Volatile Composition and Odor Activity Value of Marion (Rubus spp. hyb) and Thornless Evergreen (R.laciniatus L.) Blackberries,
J. Food. Sci., 2005, 70, 1, c13-c20, https://doi.org/10.1111/j.1365-2621.2005.tb09013.x
. [all data]
López, Ezpeleta, et al., 2004
López, R.; Ezpeleta, E.; Sánchez, I.; Cacho, J.; Ferreira, V.,
Analysis of the aroma intensities of volatile compounds released from mild acid hydrolysates of odourless precursors extracted from Tempranillo and Grenache grapes using gas chromatography-olfactometry,
Food Chem., 2004, 88, 1, 95-103, https://doi.org/10.1016/j.foodchem.2004.01.025
. [all data]
Lee and Noble, 2003
Lee, S.-J.; Noble, A.C.,
Characterization of odor-active compounds in Californian Chardonnay wines using GC-olfactometry and GC-mass spectrometry,
J. Agric. Food Chem., 2003, 51, 27, 8036-8044, https://doi.org/10.1021/jf034747v
. [all data]
Qian and Reineccius, 2002
Qian, M.; Reineccius, G.,
Identification of aroma compounds in Parmigiano-Reggiano cheese by gas chromatography/olfactometry,
J. Dairy Sci., 2002, 85, 6, 1362-1369, https://doi.org/10.3168/jds.S0022-0302(02)74202-1
. [all data]
Ebeler, Terrien, et al., 2000
Ebeler, S.E.; Terrien, M.B.; Butzke, C.E.,
Analysis of brandy aroma by solid-phase microextraction and liquid-liquid extraction,
J. Sci. Food Agric., 2000, 80, 5, 625-630, https://doi.org/10.1002/(SICI)1097-0010(200004)80:5<625::AID-JSFA584>3.0.CO;2-5
. [all data]
Korány, Mednyánszky, et al., 2000
Korány, K.; Mednyánszky, Zs.; Amtmann, M.,
Preliminary results of a recognition method visualizing the aroma and fragrance features,
Acta Aliment., 2000, 29, 2, 187-198, https://doi.org/10.1556/AAlim.29.2000.2.9
. [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]
Campeanu, Burcea, et al., 1998
Campeanu, G.; Burcea, M.; Doneanu, C.; Namolosanu, I.; Visan, L.,
GC/MS characterization of the volatiles isolated from the wines obtained from the indigenous cultivar Feteasca Regala,
Analusis, 1998, 26, 2, 93-97, https://doi.org/10.1051/analusis:1998117
. [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]
Ferreira, Lopez, et al., 1998
Ferreira, V.; Lopez, R.; Escudero, A.; Cacho, J.F.,
The Aroma of Red Wine: Hierarchy Grenache and Nature of its Main Odorants,
J. Sci. Food Agric., 1998, 77, 2, 259-267, https://doi.org/10.1002/(SICI)1097-0010(199806)77:2<259::AID-JSFA36>3.0.CO;2-Q
. [all data]
Wada and Shibamoto, 1997
Wada, K.; Shibamoto, T.,
Isolation and identification of volatile compounds from a wine using solid phase extraction, gas chromatography, and gas chromatography/mass spectrometry,
J. Agric. Food Chem., 1997, 45, 11, 4362-4366, https://doi.org/10.1021/jf970157j
. [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]
De Llano D.G., Ramos M., et al., 1990
De Llano D.G.; Ramos M.; Polo C.; Sanz J.; Martinez-Castro I.,
Evolution of the volatile components of an artisanal blue cheese during ripening,
J. Dairy Sci., 1990, 73, 7, 1676-1683, https://doi.org/10.3168/jds.S0022-0302(90)78842-X
. [all data]
Mihara, Tateba, et al., 1988
Mihara, S.; Tateba, H.; Nishimura, O.; Machii, Y.; Kishino, K.,
The volatile components of Chinese quince (Pseudocydonia sinensis Schneid)
in Flavors and Fragrances: A World Perspective. Proceedings of the 10th International Congress of Essential Oils, Fragrances and Flavors, Lawrence,B.M.; Mookherjee,B.D.; Willis,B.J., ed(s)., Elsevier, New York, 1988, 537-550. [all data]
Mihara, Tateba, et al., 1987
Mihara, S.; Tateba, H.; Nishimura, O.; Machii, Y.; Kishino, K.,
Volatile components of Chinese quince (Pseudocydonia sinensis Schneid),
J. Agric. Food Chem., 1987, 35, 4, 532-537, https://doi.org/10.1021/jf00076a023
. [all data]
MacLeod and Snyder, 1985
MacLeod, A.J.; Snyder, C.H.,
Volatile components of two cultivars of mango from Florida,
J. Agric. Food Chem., 1985, 33, 3, 380-384, https://doi.org/10.1021/jf00063a015
. [all data]
Notes
Go To: Top, Normal alkane 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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