Hexadecanoic acid, methyl ester
- Formula: C17H34O2
- Molecular weight: 270.4507
- IUPAC Standard InChIKey: FLIACVVOZYBSBS-UHFFFAOYSA-N
- CAS Registry Number: 112-39-0
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: Palmitic acid, methyl ester; n-Hexadecanoic acid methyl ester; Metholene 2216; Methyl hexadecanoate; Methyl n-hexadecanoate; Methyl palmitate; Uniphat A60; Emery 2216; Radia 7120; Acide hexadecanoique methyl ester
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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 | 1925. | 1926. | 1924. | 1925. | 1926. |
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 | Siloxane, 5 % Ph | HP-5 MS | HP-5 MS | HP-5 MS | HP-5 MS |
Column length (m) | |||||
Carrier gas | |||||
Substrate | |||||
Column diameter (mm) | |||||
Phase thickness (μm) | |||||
Program | not specified | not specified | not specified | not specified | not specified |
I | 1933. | 1903. | 1904. | 1927. | 1927. |
Reference | VOC BinBase, 2012 | Payo, Colo, et al., 2011 | Payo, Colo, et al., 2011 | Payo, Colo, et al., 2011 | Payo, Colo, et al., 2011 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP-5 MS | Polydimethyl siloxane, 5 % phenyl | RTx-1 | HP-5 MS | DB-1 |
Column length (m) | 60. | 30. | 30. | ||
Carrier gas | Helium | Helium | Helium | ||
Substrate | |||||
Column diameter (mm) | 0.22 | 0.32 | 0.25 | ||
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | ||
Program | not specified | not specified | not specified | not specified | not specified |
I | 1930. | 1933. | 1910. | 1922. | 1926. |
Reference | Payo, Colo, et al., 2011 | Skogerson, Wohlgemuth, et al., 2011 | Dib, Bendahou, et al., 2010 | Pino, Marquez, et al., 2010 | Xu, Tang, et al., 2010 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | 5 % Phenyl methyl siloxane | HP-5 | HP-5 | DB-5 | HP-5MS |
Column length (m) | 30. | 25. | 30. | 30. | 30. |
Carrier gas | Helium | Helium | Helium | Helium | He |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.32 | 0.32 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.17 | 0.25 | 0.25 | 0.25 |
Program | 50 0C (2 min) 10 0C/min -> 150 0C 15 0C/min -> 300 0C (10 min) | 60 0C (5 min) 4 0C/min -> 220 0C 11 0C/min -> 280 0C | 60 0C (3 min) 10 0C/min -> 280 0C (1 min) 3 0C/min -> 320 0C (20 min) | not specified | 40 0C (2 min) 3 0C/min -> 180 0C (2 min) 15 0C -> 280 0C |
I | 1919. | 1922. | 1927. | 1927. | 1894. |
Reference | Huang, Qin, et al., 2009 | Maggi, Bilek, et al., 2009 | Povolo, Pelizzola, et al., 2009 | Bastos, Ishimoto, et al., 2008 | Ning, Zheng, et al., 2008 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | SPB-1 | HP-5 | HP-5MS | HP-5 MS | HP-5MS |
Column length (m) | 30. | 30. | 30. | 30. | |
Carrier gas | He | He | Helium | He | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | |
Program | 40C(10min) => 2C/min => 200C(1min) => 2C/min => 250C (10min) | not specified | 40C(10min) => 3C/min => 200C => 2C/min => 220C | not specified | 40C(3min) => 2C/min => 180C => 10C/min => 250C(5min) |
I | 1909. | 1926. | 1922. | 1939. | 1933. |
Reference | Bosch-Fuste, Riu-Aumatell, et al., 2007 | Liolios, Laouer, et al., 2007 | Moronkola, Ogunwande, et al., 2007 | Sharififar, Mozaffarian, et al., 2007 | Alissandrakis, Kibaris, et al., 2005 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | CP Sil 8 CB | Polydimethyl siloxane with 5 % Ph groups | OV-1 | SE-30 | |
Column length (m) | 50. | 15. | |||
Carrier gas | He | He | |||
Substrate | |||||
Column diameter (mm) | 0.32 | 0.317 | |||
Phase thickness (μm) | 0.25 | ||||
Program | 60C(1min) => 5C/min => 160C => 5C/min => 250C(3min) | not specified | not specified | 50C(4min) => 4C/min => 90C => 10C/min => 300C(10min) | not specified |
I | 1922. | 1927. | 1911. | 1911. | 1911. |
Reference | Nivinskienë, Butkienë, et al., 2005 | Pino, Marbot, et al., 2005 | El-Shazily, Hafez, et al., 2004 | El-Shazly and Hussein, 2004 | Vinogradov, 2004 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-5 | HP-5MS | HP-1 | HP-5 | CP Sil 5 CB |
Column length (m) | 30. | 30. | 50. | 30. | 25. |
Carrier gas | He | He | N2 | He | He |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.32 | 0.25 | 0.39 |
Phase thickness (μm) | 0.25 | 0.25 | 0.52 | 0.25 | |
Program | not specified | 40C (10min) => 3C/min => 120C => 10C/min => 250C (5min) | 40C => 2C/min => 130C => 4C/min => 250C | 40C (10min) => 3C/min => 120C => 10C/min => 250C (5min) | not specified |
I | 1927. | 1928. | 1911. | 1938. | 1908. |
Reference | da Camara, Shepherd, et al., 2002 | Ansorena, Gimeno, et al., 2001 | Teai, Claude-Lafontaine, et al., 2001 | Ansorena, Astiasarán, et al., 2000 | Weyerstahl, Marschall, et al., 1999 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | CP Sil 5 CB | HP-1 | SE-54 | DB-5 | DB-1 |
Column length (m) | 25. | 25. | 50. | 30. | 60. |
Carrier gas | He | He | N2 | ||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.32 | 0.25 | 0.25 | |
Phase thickness (μm) | 0.25 | 0.215 | 0.25 | ||
Program | not specified | 30 0C (4 min) 6 K/min -> 200 0C 15 K/min -> 250 0C (20 min) | 35 0C (5 min) 8 0C/min -> 200 0C 2 0C/min -> 250 0C | not specified | not specified |
I | 1917. | 1908. | 1935. | 1926. | 1907. |
Reference | Weyerstahl, Marschall, et al., 1998 | Rowland, Blackman, et al., 1995 | Um, Bailey, et al., 1992 | Wang, Jin, et al., 1992 | Kawai, Ishida, et al., 1991 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary |
---|---|
Active phase | DB-1 |
Column length (m) | 60. |
Carrier gas | |
Substrate | |
Column diameter (mm) | 0.25 |
Phase thickness (μm) | 0.25 |
Program | not specified |
I | 1908. |
Reference | Kawai, Ishida, et al., 1991 |
Comment | 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]
VOC BinBase, 2012
VOC BinBase,
The volatile compound BinBase (VOC BinBase), 2012, retrieved from http://fiehnlab.ucdavis.edu/projects/VocBinBase and http://binbase.sourceforge.net. [all data]
Payo, Colo, et al., 2011
Payo, D.A.; Colo, J.; Calumpong, H.; de Clerck, O.,
Variability of non-polar secondary metabolites in the Red Alga Portieria,
Mar Drugs, 2011, 9, 11, 2438-2468, https://doi.org/10.3390/md9112438
. [all data]
Skogerson, Wohlgemuth, et al., 2011
Skogerson, K.; Wohlgemuth, G.; Fiehn, O.,
VocBinNase, 2011, retrieved from http://fiehnlab.ucdavis.edu/projects//VocBinBase. [all data]
Dib, Bendahou, et al., 2010
Dib, M.A.; Bendahou, M.; Bendiabdellah, A.; Djabou, N.; Allali, H.; Tabti, B.; Paolini, J.; Costa, J.,
Partial chemical composition and antimicrobial activity of Daucus crinitus Desf. extracts,
Grasas y Aceites, 2010, 61, 3, 271-278, https://doi.org/10.3989/gya.122609
. [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]
Xu, Tang, et al., 2010
Xu, X.; Tang, Z.; Liang, Y.,
Comparative analysis of plant essential oils by GC-MS coupled with integrated chemometric resolution methods,
Anal. Methods, 2010, 2, 4, 359-367, https://doi.org/10.1039/b9ay00213h
. [all data]
Huang, Qin, et al., 2009
Huang, B.; Qin, L.; Chu, Q.; Zhang, Q.; Gao, L.; Zheng, H.,
Comparison of headspace SPME with hydrodistillation and SFE for analysis of the volatile components of the roots of Valeriana officinalis var. latifolia,
Chromatographia, 2009, 69, 5/6, 489-496, https://doi.org/10.1365/s10337-008-0921-y
. [all data]
Maggi, Bilek, et al., 2009
Maggi, F.; Bilek, T.; Lucarini, D.; Papa, F.; Sagratini, G.; Vittori, S.,
Melittis melissophyllum L. subsp. melissophylum (Lamiaceae) from central Italy: A new source of a mushrrom-like flavour,
Food Chem., 2009, 113, 1, 216-221, https://doi.org/10.1016/j.foodchem.2008.07.066
. [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]
Bastos, Ishimoto, et al., 2008
Bastos, D.H.M.; Ishimoto, E.Y.; Marques, O.M.; Ferri, A.F.; Torres, E.A.F.S.,
Essential Oil and Antioxidant Activity of Green Mate and Mate Tea (Ilex paraguariensis) Infusions, 2008, retrieved from http://www.aseanfood.info/Articles/11016488.pdf. [all data]
Ning, Zheng, et al., 2008
Ning, H.; Zheng, F.; Sun, B.; Xie, J.; Liu, Y.,
Solvent-free microwave extraction of essential oil from Zanthoxylum bungeanum Maxim.,
Food Environ. Ind. (Chinese), 2008, 34, 5, 179-184. [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]
Liolios, Laouer, et al., 2007
Liolios, C.; Laouer, H.; Boulaacheb, N.; Gortzi, O.; Chinou, I.,
Chemical Composition and Antimicrobial Activity of the Essential Oil of Algherian Phlomis bovei De Noe subsp. bovei,
Molecules, 2007, 12, 4, 772-781, https://doi.org/10.3390/12040772
. [all data]
Moronkola, Ogunwande, et al., 2007
Moronkola, D.O.; Ogunwande, I.A.; Walker, T.M.; Setzer, W.N.; Oyewole, I.O.,
Identification of the main volatile compounds in the leaf and flower of Tithonia diversifolia (Hemsl) Gray,
J. Nat. Med., 2007, 61, 1, 63-66, https://doi.org/10.1007/s11418-006-0019-5
. [all data]
Sharififar, Mozaffarian, et al., 2007
Sharififar, F.; Mozaffarian, V.; Moradkhani, S.,
Comparison of antioxidant and free radical scavenging activities of the essential oils from flowers and fruits of Otostegia persica Boiss.,
Pakistan J. Biol. Sci., 2007, 10, 21, 3895-3899, https://doi.org/10.3923/pjbs.2007.3895.3899
. [all data]
Alissandrakis, Kibaris, et al., 2005
Alissandrakis, E.; Kibaris, A.C.; Tarantilis, P.A.; Harizanis, P.C.; Polissiou, M.,
Flavour compounds of Greek cotton honey,
J. Sci. Food Agric., 2005, 85, 9, 1444-1452, https://doi.org/10.1002/jsfa.2124
. [all data]
Nivinskienë, Butkienë, et al., 2005
Nivinskienë, O.; Butkienë, R.; Mockutë, D.,
Chemical composition of seed (fruit) essential oils of Angelica archangelica L. growing wild in Lithuania,
Chemija, 2005, 16, 3-4, 51-54. [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]
El-Shazily, Hafez, et al., 2004
El-Shazily, A.M.; Hafez, S.S.; Wink, M.,
Comparative study of the essential oils and extracts of Achillea fragrantissima (Forssk.) Sch. Bip. and Achillea santolina L. (Asteraceae) from Egypt,
Pharmazie, 2004, 59, 226-230. [all data]
El-Shazly and Hussein, 2004
El-Shazly, A.M.; Hussein, K.T.,
Chemical analysis and biological activities of the essential oil of Teucrium leucocladum Boiss. (Lamiaceae),
Biochem. Syst. Ecol., 2004, 32, 7, 665-674, https://doi.org/10.1016/j.bse.2003.12.009
. [all data]
Vinogradov, 2004
Vinogradov, B.A.,
Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]
da Camara, Shepherd, et al., 2002
da Camara, C.A.G.; Shepherd, S.L.K.; Joaquim, D.R.G.,
Análise químnica da cultura de tecidos do híbrido Clusia paralicola X Clusia weddelliana,
Revista Brasileira de Farmacognosia, 2002, 12, 26-28, https://doi.org/10.1590/S0102-695X2002000300013
. [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]
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]
Weyerstahl, Marschall, et al., 1999
Weyerstahl, P.; Marschall, H.; Son, P.T.; Giang, P.M.,
Constituents of the flower essential oil of Aglaia odorata Lour. from Vietnam,
Flavour Fragr. J., 1999, 14, 4, 219-224, https://doi.org/10.1002/(SICI)1099-1026(199907/08)14:4<219::AID-FFJ815>3.0.CO;2-#
. [all data]
Weyerstahl, Marschall, et al., 1998
Weyerstahl, P.; Marschall, H.; Weirauch, M.; Thefeld, K.; Surburg, H.,
Constituents of commercial Labdanum oil,
Flavour Fragr. J., 1998, 13, 5, 295-318, https://doi.org/10.1002/(SICI)1099-1026(1998090)13:5<295::AID-FFJ751>3.0.CO;2-I
. [all data]
Rowland, Blackman, et al., 1995
Rowland, C.Y.; Blackman, A.J.; D'Arcy, B.R.; Rintoul, G.B.,
Comparison of organic extractives found in leatherwood (Eucryphia lucida) honey and leatherwood flowers and leaves,
J. Agric. Food Chem., 1995, 43, 3, 753-763, https://doi.org/10.1021/jf00051a036
. [all data]
Um, Bailey, et al., 1992
Um, K.W.; Bailey, M.E.; Clarke, A.D.; Chao, R.R.,
Concentration and identification of volatile compounds from heated beef fat using supercritical CO2 extraction-gas liquid chromatography/mass spectrometry,
J. Agric. Food Chem., 1992, 40, 9, 1641-1646, https://doi.org/10.1021/jf00021a033
. [all data]
Wang, Jin, et al., 1992
Wang, X.; Jin, Z.; Xu, X.,
Analysis of fatty acids in bacteria by using gas chromatographic retention indices,
Chin. J. Chromatogr., 1992, 10, 2, 92-94. [all data]
Kawai, Ishida, et al., 1991
Kawai, T.; Ishida, Y.; Kakiuchi, H.; Ikeda, N.; Higashida, T.; Nakamura, S.,
Flavor components of dried squid,
J. Agric. Food Chem., 1991, 39, 4, 770-777, https://doi.org/10.1021/jf00004a031
. [all data]
Notes
Go To: Top, Normal alkane RI, non-polar column, custom temperature program, References
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