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, non-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 | SLB-5 MS | SLB-5 MS | RTX-5 MS | Polydimethyl siloxane with 5 % Ph groups | Polydimethyl siloxane with 5 % Ph groups |
Column length (m) | 30. | 30. | 15. | ||
Carrier gas | Helium | Helium | Helium | ||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | ||
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | ||
Program | not specified | not specified | 35 0C (6 min) 5 0C/min -> 150 0C 10 0C/min -> 280 0C (3 min) | not specified | not specified |
I | 1993. | 1995. | 1992. | 1994. | 1994. |
Reference | Mondello, 2012 | Mondello, 2012 | Nadaf, Halimi, et al., 2012 | Robinson, Adams, et al., 2012 | Robinson, Adams, et al., 2012 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | VF-5 | VF-5 | HP-5 | HP-5 | HP-5 |
Column length (m) | 30. | 30. | 25. | 25. | 30. |
Carrier gas | Helium | Helium | Helium | Helium | Helium |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.32 | 0.32 | 0.32 |
Phase thickness (μm) | 0.25 | 0.25 | 0.17 | 0.17 | 0.25 |
Program | 50 0C (2 min) 3 0C/min -> 200 0C (3 min) 10 0C/min -> 220 0C (8 min) | not specified | 60 0C (5 min) 4 0C/min -> 220 0C 11 0C/min -> 280 0C (15 min) | not specified | 60 0C (3 min) 10 0C/min -> 280 0C (1 min) 3 0C/min -> 320 0C (20 min) |
I | 1991. | 1991. | 1992. | 1993. | 1996. |
Reference | Shivashankar, Roy, et al., 2012 | Shivashankar, Roy, et al., 2012 | Custer, 2009 | Custer, 2009 | Povolo, Pelizzola, et al., 2009 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | BPX-5 | BPX-5 | SLB-5 MS | DB-5 MS | HP-5 |
Column length (m) | 30. | 30. | 30. | 30. | 30. |
Carrier gas | Helium | Helium | Helium | Helium | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.32 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 1.0 | 0.25 |
Program | 35 0C (5 min) 3 0C/min -> 210 0C 40 0C/min -> 240 0C (10 min) | not specified | not specified | -10 0C (3 min) 50 0C/min -> 40 0C 5 0C/min -> 290 0C (5 min) | 40 0C (2 min) 5 0C/min -> 80 0C 7 oC/min -> 160 0C 9 0C/min -> 200 0C 20 0C/min -> 280 0C (10 min) |
I | 2000. | 2000. | 1995. | 1994. | 1992. |
Reference | se Souza, Cardeal, et al., 2009 | se Souza, Cardeal, et al., 2009 | Lo Presti, Sciarrone, et al., 2008 | Watanabe, Ueda, et al., 2008 | Zhao, Li, et al., 2008 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP-5 | SPB-1 | DB-5 MS | SPB-1 | DB-5MS |
Column length (m) | 30. | 30. | 30. | 30. | 30. |
Carrier gas | He | Helium | 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 | 0.25 |
Program | not specified | 40C(10min) => 2C/min => 200C(1min) => 2C/min => 250C (10min) | 60 0C 3 0C/min -> 210 0C 5 0C/min -> 250 0C | not specified | 60C => 3C/min => 180C => 250C (2min) |
I | 1993. | 1979. | 1993. | 1978. | 1990. |
Reference | Zhao, Li, et al., 2008 | Bosch-Fuste, Riu-Aumatell, et al., 2007 | Haznagy-Radnai, Szigle, et al., 2007 | Riu-Aumatell, Bosch-Fuste´, et al., 2006 | Tuberoso, Barra, et al., 2006 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | MDN-5 | Polydimethyl siloxane with 5 % Ph groups | DB-5MS | SE-30 | HP-5 |
Column length (m) | 30. | 30. | 30. | ||
Carrier gas | He | He | |||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | ||
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | ||
Program | not specified | not specified | 40C => 2C/min => 60C => 4C/min => 260C | not specified | 35C => 5C/min => 220C => 10C/min => 240C(5min) |
I | 1965. | 1993. | 2000. | 1980. | 1997. |
Reference | Jelen and Grabarkiewicz-Szczesna, 2005 | Pino, Marbot, et al., 2005 | Maia, Andrade, et al., 2004 | Vinogradov, 2004 | Demyttenaere, Sánchez Martínez, 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 | HP-5MS | HP-1 | DB-5 | HP-5 |
Column length (m) | 30. | 30. | 50. | 30. | 30. |
Carrier gas | He | He | N2 | He | He |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.32 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.52 | 0.25 | 0.25 |
Program | 35C => 5C/min => 160C => 10C/min => 220C (10min) | 40C (10min) => 3C/min => 120C => 10C/min => 250C (5min) | 40C => 2C/min => 130C => 4C/min => 250C | 40C => 2C/min => 60C => 4C/min => 260C | 40C (10min) => 3C/min => 120C => 10C/min => 250C (5min) |
I | 1997. | 1996. | 1984. | 1976. | 2005. |
Reference | Demyttenaere, Sánchez Martínez, et al., 2002 | Ansorena, Gimeno, et al., 2001 | Teai, Claude-Lafontaine, et al., 2001 | Andrade, Maia, et al., 2000 | Ansorena, Astiasarán, et al., 2000 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary |
---|---|---|
Active phase | OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc. | OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc. |
Column length (m) | 50. | 50. |
Carrier gas | Hydrogen | Hydrogen |
Substrate | ||
Column diameter (mm) | 0.32 | 0.32 |
Phase thickness (μm) | ||
Program | not specified | not specified |
I | 1979. | 1981. |
Reference | Waggott and Davies, 1984 | Waggott and Davies, 1984 |
Comment | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane RI, non-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.
Mondello, 2012
Mondello, L.,
HS-SPME-GCxGC-MS analysis of Yerba Mate (Ilex paraguariensis)
in Shimadzu GC-GC application compendium of comprehensive 2D GC, Vol. 1-5, Shimadzu Corp., 2012, 1-29. [all data]
Nadaf, Halimi, et al., 2012
Nadaf, M.; Halimi, M.; Mortazavi, M.,
Identification of nonpolar chemical composition Spartium junceum flower growing in Iran by GC-MS,
Middle-East J. Sci. Res., 2012, 11, 2, 221-224. [all data]
Robinson, Adams, et al., 2012
Robinson, A.L.; Adams, D.O.; Boss, P.K.; Heymann, H.; Solomon, P.S.; Trengove, R.D.,
Influence of geographic origine on the sensory characteristics and wine composition of Vitus viniferas cv. Cabernet Sauvignon wines from Australia (Supplemental data),
Am. J. Enol. Vitic., 2012, 64, 4, 467-476, https://doi.org/10.5344/ajev.2012.12023
. [all data]
Shivashankar, Roy, et al., 2012
Shivashankar, S.; Roy, T.K.; Moorthy, P.N.R.,
Headspace solid phase micro extraction and GC/MS analysis of the volatile components in seed and cake of Azadirachta indica A. juss,
Chem. Bull. of Politechnika Univ. Timisoara, Romania, 2012, 57(71), 1, 1-6. [all data]
Custer, 2009
Custer, Y.,
GC Volatile Components Analysis of Different Parts of Litchi chinensis (Dissertation), 2009. [all data]
Povolo, Pelizzola, et al., 2009
Povolo, M.; Pelizzola, V.; Ravera, D.; Contarini, G.,
Significance of the nonvolatile minor compounds of the neutral lipid fraction as markers of the origin of dairy products,
J. Agric. Food Chem., 2009, 57, 16, 7387-7394, https://doi.org/10.1021/jf8040353
. [all data]
se Souza, Cardeal, et al., 2009
se Souza, P.P.; Cardeal, Z.DeL.; Augusti, R.; Morrison, P.; Marriott, P.J.,
Determination of volatile compounds in Brazilian distilled cachaca by using comprehensive two-dimensional gas chromatography and effects of production pathways,
J. Chromatogr. A., 2009, 1216, 14, 2881-2890, https://doi.org/10.1016/j.chroma.2008.10.061
. [all data]
Lo Presti, Sciarrone, et al., 2008
Lo Presti, M.; Sciarrone, D.; Crupi, M.C.; Costa, R.; Ragusa, S.; Dugo, G.; Mondello, L.,
Evaliation of the volatile and chiral composition in Pistacia lentiscus L. essential oil,
Flavour Fragr. J., 2008, 23, 4, 249-257, https://doi.org/10.1002/ffj.1878
. [all data]
Watanabe, Ueda, et al., 2008
Watanabe, A.; Ueda, Y.; Higuchi, M.; Shiba, N.,
Analysis of volatile compounds in beef fat by dinamic-headspace solid phase microextraction combined with gas chromatography - mass spectrometry,
J. Food Sci., 2008, 73, 5, 420-425, https://doi.org/10.1111/j.1750-3841.2008.00764.x
. [all data]
Zhao, Li, et al., 2008
Zhao, Y.; Li, J.; Xu, Y.; Duan, H.; Fan, W.; Zhao, G.,
EXtraction, preparation and identification of volatile compounds in Changyu XO brandy,
Chinese J. Chromatogr., 2008, 26, 2, 212-222, https://doi.org/10.1016/S1872-2059(08)60014-0
. [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]
Haznagy-Radnai, Szigle, et al., 2007
Haznagy-Radnai, E.; Szigle, Sz.; Mathe, I.,
Analysis of the essential oil of Downy wounderwort (Stachys Germanica L.),
Acta Fac. Pharm. Univer. Comenianae, 2007, 54, 78-83. [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
. [all data]
Tuberoso, Barra, et al., 2006
Tuberoso, C.I.G.; Barra, A.; Angioni, A.; Sarritzu, E.; Pirisi, F.M.,
Chemical Composition of Volatiles in Sardinian Myrtle (Myrtus communis L.) Alcoholic Extracts and Essential Oils,
J. Agric. Food Chem., 2006, 54, 4, 1420-1426, https://doi.org/10.1021/jf052425g
. [all data]
Jelen and Grabarkiewicz-Szczesna, 2005
Jelen, H.H.; Grabarkiewicz-Szczesna, J.,
Volatile compounds of Aspergillus strains with different abilities to produce ochratoxin A,
J. Agric. Food Chem., 2005, 53, 5, 1678-1683, https://doi.org/10.1021/jf0487396
. [all data]
Pino, Marbot, et al., 2005
Pino, J.A.; Marbot, R.; Rosado, A.; Vázquez, C.,
Volatile constituents of Malay rose apple [Syzygium malaccense (L.) Merr. Perry],
Flavour Fragr. J., 2005, 20, 98-100. [all data]
Maia, Andrade, et al., 2004
Maia, J.G.S.; Andrade, E.H.A.; Zoghbi, M.G.B.,
Aroma volatiles from two fruit varieties of jackfruit (Artocarpus heterophyllus Lam.),
Food Chem., 2004, 85, 2, 195-197, https://doi.org/10.1016/S0308-8146(03)00292-9
. [all data]
Vinogradov, 2004
Vinogradov, B.A.,
Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]
Demyttenaere, Sánchez Martínez, et al., 2003
Demyttenaere, J.C.R.; Sánchez Martínez, J.I.; Verhé, R.; Sandra, P.; de Kimpe, N.,
Analysis of volatiles of malt whisky by solid-phase microextraction and stir bar sorptive extraction,
J. Chromatogr. A, 2003, 985, 1-2, 221-232, https://doi.org/10.1016/S0021-9673(02)01471-1
. [all data]
Demyttenaere, Sánchez Martínez, et al., 2002
Demyttenaere, J.C.R.; Sánchez Martínez, J.I.; Téllez Valdés, M.J.; Verhé, R.; Sandra, P.,
Analysis of volatile esters of malt whisky using solid phase microextraction and dynamic headspace
in 25th International Symposium on Capillary Chromatography, 2002, 1-13. [all data]
Ansorena, Gimeno, et al., 2001
Ansorena, D.; Gimeno, O.; Astiasarán, I.; Bello, J.,
Analysis of volatile compounds by GC-MS of a dry fermented sausage: chorizo de Pamplona,
Food Res. Int., 2001, 34, 1, 67-75, https://doi.org/10.1016/S0963-9969(00)00133-2
. [all data]
Teai, Claude-Lafontaine, et al., 2001
Teai, T.; Claude-Lafontaine, A.; Schippa, C.; Cozzolino, F.,
Volatile compounds in fresh pulp of pineapple (Ananas comosus [L.] Merr.) from French Polynesia,
J. Essent. Oil Res., 2001, 13, 5, 314-318, https://doi.org/10.1080/10412905.2001.9712222
. [all data]
Andrade, Maia, et al., 2000
Andrade, E.H.A.; Maia, J.G.S.; Zoghbi, M.G.B.,
Aroma volatile constituents of Brazilian varieties of mango fruit,
J. Food Comp. Anal., 2000, 13, 1, 27-33, https://doi.org/10.1006/jfca.1999.0841
. [all data]
Ansorena, Astiasarán, et al., 2000
Ansorena, D.; Astiasarán, I.; Bello, J.,
Influence of the simultaneous addition of the protease flavourzyme and the lipase novozyme 677BG on dry fermented sausage compounds extracted by SDE and analyzed by GC-MS,
J. Agric. Food Chem., 2000, 48, 6, 2395-2400, https://doi.org/10.1021/jf990931y
. [all data]
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, non-polar column, custom temperature program, References
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