Hexadecanoic acid, ethyl ester
- Formula: C18H36O2
- Molecular weight: 284.4772
- IUPAC Standard InChIKey: XIRNKXNNONJFQO-UHFFFAOYSA-N
- CAS Registry Number: 628-97-7
- 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: Palmitic acid, ethyl ester; Ethyl hexadecanoate; Ethyl palmitate; Ethyl n-hexadecanoate; Ethyl hexadecanoate (Ethyl palmitate)
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Normal alkane RI, polar column, custom temperature program
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 | Carbowax 20M | Supelco CO Wax-10 | Supelco CO Wax-10 | DB-Wax | DB-Wax |
Column length (m) | 60. | 60. | 30. | 30. | |
Carrier gas | Helium | Helium | Helium | Helium | |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.25 | 0.25 | |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | |
Program | not specified | 35 0C (6 min) 2 0C/min -> 60 0C (5 min) 5 0C/min -> 200 0C 25 0C/min -> 250 0C (6 min) | not specified | not specified | not specified |
I | 2259. | 2249. | 2271. | 2243. | 2246. |
Reference | Lee, Chong, et al., 2012 | Prompona, Kandylis, et al., 2012 | Prompona, Kandylis, et al., 2012 | Welke, Manfroi, et al., 2012 | Welke, Manfroi, et al., 2012 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | Supelko CO Wax | Supelko CO Wax | DB-Wax | DB-Wax | DB-Wax |
Column length (m) | 60. | 60. | 30. | 30. | 30. |
Carrier gas | Helium | Helium | Helium | Helium | Helium |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.25 | 0.32 | 0.32 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Program | 40 0C (5 min) 4 0C/min -> 75 0C 5 0C/min -> 250 0C (10 min) | not specified | not specified | 40 0C (3 min) 4 0C/min -> 160 0C 7 0C/min -> 220 0C (8 min) | 50 0C 20 0C/min -> 80 0C 3 0C/min -> 230 0C |
I | 2271. | 2271. | 2246. | 2274. | 2246. |
Reference | Vekiari, Orepoulou, et al., 2010 | Vekiari, Orepoulou, et al., 2010 | Zhao, Xu, et al., 2009 | Li, Tao, et al., 2008 | Tao, Wenlai, et al., 2008 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-Wax | DB-Wax | Supelcowax-10 | DB-Wax | BP-20 |
Column length (m) | 30. | 30. | 30. | 30. | 30. |
Carrier gas | Helium | Helium | He | He | He |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.25 | 0.32 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Program | 50 0C 20 0C/min -> 80 0C 3 0C/min -> 230 0C | 40 0C (4 min) 3 0C/min -> 50 0C 5 0C/min -> 120 0C 7 0C/min -> 175 0C 10 0C/min -> 230 0C (8 min) | 40C(10min) => 2C/min => 200C(1min) => 2C/min => 250C (10min) | 40C(3min) => 4C/min => 160C => 7C/min => 230C (8min) | 50C(1min) => 2.5C/min => 100C => 2C/min => 180C => 15C/min => 220C |
I | 2248. | 2274. | 2255. | 2274. | 2225. |
Reference | Tao, Wenlai, et al., 2008 | Yongsheng, Hua, et al., 2008 | Bosch-Fuste, Riu-Aumatell, et al., 2007 | Li, Tao, et al., 2007 | Pontes, Marques, et al., 2007 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-Wax | HP-Innowax | Supelcowax-10 | HP Innowax FSP | Carbowax 20M |
Column length (m) | 30. | 60. | 30. | 60. | |
Carrier gas | He | Nitrogen | N2 | ||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | |
Program | 50 0C (2 min) 6 0C/min -> 150 0C 8 0C/min -> 230 0C (15 min) | 50 0C (4 min) -> 40 0C 4 0C/min -> 220 0C | not specified | 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C | not specified |
I | 2246. | 2248. | 2229. | 2262. | 2230. |
Reference | Tian, Zhang, et al., 2007 | Quijano and Pino, 2006 | Riu-Aumatell, Bosch-Fuste´, et al., 2006 | Altintas, Kose, et al., 2004 | Vinogradov, 2004 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP-Innowax FSC | DB-Wax | Nukol | Supelcowax-10 | Carbowax 400, Carbowax 20M, Carbowax 1540, Carbowax 4000, Superox 06, PEG 20M, etc. |
Column length (m) | 60. | 30. | 25. | 30. | 50. |
Carrier gas | He | He | N2 | Hydrogen | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.32 | 0.25 | 0.53 | 0.32 |
Phase thickness (μm) | 0.25 | 0.5 | 0.25 | ||
Program | 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C | 60C(2min) => 2C/min => 220C => 3C/min => 245C(20min) | 45C(5min) => 20C/min => 100C(1min) => 3C/min => 190C(40min) | 80C(5min) => 5C/min => 155C => 4C/min => 240C(30min) | not specified |
I | 2262. | 2251. | 2235. | 2245. | 2235. |
Reference | Erdemoglu, Sener, et al., 2003 | Selli, Cabaroglu, et al., 2003 | López and Dufour, 2001 | Miranda-Lopez, Libbey, et al., 1992 | Waggott and Davies, 1984 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane RI, polar column, custom temperature program, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Lee, Chong, et al., 2012
Lee, P.-R.; Chong, I.S.-M.; Yu, B.; Curran, P.; Liu, S.-Q.,
Effect of precursors on volatile compounds in Papaya wine fermented by mixed yeasts,
Uncorrected proof, 2012, 000-000. [all data]
Prompona, Kandylis, et al., 2012
Prompona, K.-D.; Kandylis, P.; Tsakiris, A.; Kanellaki, M.; Kourkoutas, Y.,
Application of alternative technologies for elimination of artificial colorings in alcoholic beverages produced by Citrus medica and potential impact on human health,
Food Nutrition Sci., 2012, 3, 07, 959-969, https://doi.org/10.4236/fns.2012.37127
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Welke, Manfroi, et al., 2012
Welke, J.E.; Manfroi, V.; Zanus, M.; Lazarotto, M.; Zini, C.A.,
Characterization of the volatile profile of Brazilian merlot wines through comprehensive two dimensional gas chromatography time-of-flight mass spectrometric detection,
J. Chromatogr. A, 2012, 1226, 124-139, https://doi.org/10.1016/j.chroma.2012.01.002
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Vekiari, Orepoulou, et al., 2010
Vekiari, S.A.; Orepoulou, V.; Kourkoutas, Y.; Kamoun, N.; Msallem, M.; Psimouli, V.; Arapoglou, D.,
Characterization and seasonal variations of the quality of virgin olive oil of the Thoumbolia and Koroneiki varieties from Southern Greece,
Grasas y Aceites, 2010, 61, 3, 221-231, https://doi.org/10.3989/gya.108709
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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
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Li, Tao, et al., 2008
Li, H.; Tao, Y.-S.; Wang, H.; Zhang, L.,
Impact odorants of Chardonnay dry white wine from Changli Counti (China),
Eur. Food. Res. Technol., 2008, 227, 1, 287-292, https://doi.org/10.1007/s00217-007-0722-9
. [all data]
Tao, Wenlai, et al., 2008
Tao, L.; Wenlai, F.; Yan, X.,
Characterization of volatile and semi-volatile compounds in Chinese rica wines by headspace solid phase microextraction followed by gas chromatography - mass spectrometry,
J. Inst. Brew., 2008, 114, 2, 172-179, https://doi.org/10.1002/j.2050-0416.2008.tb00323.x
. [all data]
Yongsheng, Hua, et al., 2008
Yongsheng, T.; Hua, L.; Hua, W.; Li, Z.,
Volatile composition of young Cabernet Savignon red wine from Changli Counti (China),
J. Food Composition and Analysis, 2008, 21, 8, 689-694, https://doi.org/10.1016/j.jfca.2008.05.007
. [all data]
Bosch-Fuste, Riu-Aumatell, et al., 2007
Bosch-Fuste, J.; Riu-Aumatell, M.; Guadayol, J.M.; Caixach, J.; Lopez-Tamames, E.; Buxaderas, S.,
Volatile profiles of sparkling wines obtained by three extraction methods and gas chromatography-mass spectrometry (GC-MS) analysis,
Food Chem., 2007, 105, 1, 428-435, https://doi.org/10.1016/j.foodchem.2006.12.053
. [all data]
Li, Tao, et al., 2007
Li, H.; Tao, Y.-S.; Wang, H.; Zhang, L.,
Impact odorants of Chardonnay dry white wine from Changli County (China),
Eur. Food Res. Technol., 2007, https://doi.org/10.1007/s00217-007-0722-9
. [all data]
Pontes, Marques, et al., 2007
Pontes, M.; Marques, J.C.; Camara, J.S.,
Screening of volatile composition from Portuguese multifloral honeys using headspace solid-phase microextraction-gas chromatography-quadrupole mass spectrometry,
Talanta, 2007, 74, 1, 91-103, https://doi.org/10.1016/j.talanta.2007.05.037
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Tian, Zhang, et al., 2007
Tian, Y.; Zhang, X.; Huang, T.; Zou, K.; Zhou, J.,
Research advances on the essential oils from leaves of Eucalyptus,
Food Fermentation Ind. (Chinese), 2007, 33, 10, 143-147. [all data]
Quijano and Pino, 2006
Quijano, C.E.; Pino, J.A.,
Changes in volatile constituents during the ripening of cocona (Solanum sessiliflorum Dunal) fruit,
Revista CENIC Ciencias Quimicas, 2006, 37, 3, 133-136. [all data]
Riu-Aumatell, Bosch-Fuste´, et al., 2006
Riu-Aumatell, M.; Bosch-Fuste´, J.; Lopez-Tamames, E.; Buxaderas, S.,
Development of volatile compounds of cava (Spanish sparkling wine) during long ageing time in contact with lees,
Food Chem., 2006, 95, 2, 237-242, https://doi.org/10.1016/j.foodchem.2005.01.029
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Altintas, Kose, et al., 2004
Altintas, A.; Kose, Y.B.; Yucel, E.; Demirci, B.; Baser, K.H.C.,
Composition of the essential oil of Centaurea dichroa,
Chem. Nat. Compd. (Engl. Transl.), 2004, 40, 6, 604-605, https://doi.org/10.1007/s10600-005-0051-9
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Vinogradov, 2004
Vinogradov, B.A.,
Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]
Erdemoglu, Sener, et al., 2003
Erdemoglu, N.; Sener, B.; Demirci, B.; Baser, K.H.C.,
The glycosidically bound volatile compounds of Taxus baccata,
Chem. Nat. Compd. (Engl. Transl.), 2003, 39, 2, 195-198, https://doi.org/10.1023/A:1024870031960
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Selli, Cabaroglu, et al., 2003
Selli, s.; Cabaroglu, T.; Canbas, A.,
Flavour components of orange wine made from a Turkish cv. Kozan,
Int. J. Food Sci. Technol., 2003, 38, 5, 587-593, https://doi.org/10.1046/j.1365-2621.2003.00691.x
. [all data]
López and Dufour, 2001
López, M.G.; Dufour, J.P.,
Chapter 6. Tequilas: charm analysis of Blanco, Teposado, and Anejo tequilas,
Am. Chem. Soc. Symp. Ser., 2001, 782, 62-72. [all data]
Miranda-Lopez, Libbey, et al., 1992
Miranda-Lopez, R.; Libbey, L.M.; Watson, B.T.; McDaniel, M.R.,
Odor analysis of Pinot noir wines from grapes of different maturities by a gas chromatography-olfactometry technique (Osme),
J. Food Sci., 1992, 57, 4, 985-993, https://doi.org/10.1111/j.1365-2621.1992.tb14339.x
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Waggott and Davies, 1984
Waggott, A.; Davies, I.W.,
Identification of organic pollutants using linear temperature programmed retention indices (LTPRIs) - Part II, 1984, retrieved from http://dwi.defra.gov.uk/research/completed-research/reports/dwi0383.pdf. [all data]
Notes
Go To: Top, Normal alkane RI, polar column, custom temperature program, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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