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Pentadecanoic acid, ethyl ester

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IR Spectrum

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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

Gas Phase Spectrum

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IR spectrum
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Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.

Additional Data

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Owner NIST Standard Reference Data Program
Collection (C) 2018 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin Sadtler Research Labs Under US-EPA Contract
State gas

This IR spectrum is from the NIST/EPA Gas-Phase Infrared Database .


Mass spectrum (electron ionization)

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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

Spectrum

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Mass spectrum
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Additional Data

View image of digitized spectrum (can be printed in landscape orientation).

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Download spectrum in JCAMP-DX format.

Owner NIST Mass Spectrometry Data Center
Collection (C) 2014 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin Japan AIST/NIMC Database- Spectrum MS-NW-8309
NIST MS number 233156

All mass spectra in this site (plus many more) are available from the NIST/EPA/NIH Mass Spectral Library. Please see the following for information about the library and its accompanying search program.


Gas Chromatography

Go To: Top, IR Spectrum, Mass spectrum (electron ionization), 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

Kovats' RI, non-polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
CapillaryDB-1180.1885.Furr, Zeng, et al., 199015. m/0.25 mm/0.25 «mu»m
CapillarySE-30160.1876.Korhonen, 1985N2; Column length: 25. m; Column diameter: 0.33 mm
CapillarySE-30180.1876.Korhonen, 1985N2; Column length: 25. m; Column diameter: 0.33 mm
CapillarySE-30200.1879.Korhonen, 1985N2; Column length: 25. m; Column diameter: 0.33 mm
CapillarySE-30220.1884.Korhonen, 1985N2; Column length: 25. m; Column diameter: 0.33 mm

Kovats' RI, polar column, isothermal

View large format table.

Column type Active phase Temperature (C) I Reference Comment
CapillaryOV-351120.2140.Korhonen, 1985N2; Column length: 25. m; Column diameter: 0.32 mm
CapillaryOV-351140.2150.Korhonen, 1985N2; Column length: 25. m; Column diameter: 0.32 mm
CapillaryOV-351160.2146.Korhonen, 1985N2; Column length: 25. m; Column diameter: 0.32 mm
CapillaryOV-351180.2159.Korhonen, 1985N2; Column length: 25. m; Column diameter: 0.32 mm
CapillaryOV-351200.2157.Korhonen, 1985N2; Column length: 25. m; Column diameter: 0.32 mm
CapillaryOV-351220.2172.Korhonen, 1985N2; Column length: 25. m; Column diameter: 0.32 mm

Van Den Dool and Kratz RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryHP-5MS1897.Pino, Mesa, et al., 200530. m/0.25 mm/0.25 «mu»m, He, 60. C @ 2. min, 4. K/min, 250. C @ 20. min
CapillarySE-301878.Korhonen, 1985N2, 6. K/min; Column length: 25. m; Column diameter: 0.33 mm; Tstart: 100. C; Tend: 320. C

Van Den Dool and Kratz RI, polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-Wax2179.Gurbuz O., Rouseff J.M., et al., 200660. m/0.25 mm/0.25 «mu»m, He, 7. K/min, 265. C @ 5. min; Tstart: 40. C
CapillaryCP-Wax 52CB2144.Mahadevan and Farmer, 200660. C @ 5. min, 4. K/min, 220. C @ 30. min; Column length: 50. m; Column diameter: 0.32 mm
CapillarySupelcowax-102116.Chung, Fung, et al., 200560. m/0.25 mm/0.25 «mu»m, 35. C @ 5. min, 6. K/min, 195. C @ 60. min
CapillaryZB-Wax2148.Ledauphin, Saint-Clair, et al., 200430. m/0.25 mm/0.15 «mu»m, He, 35. C @ 10. min, 1.8 K/min, 220. C @ 10. min
CapillaryAT-Wax2126.Pino, Almora, et al., 200360. m/0.32 mm/0.25 «mu»m, He, 65. C @ 10. min, 2. K/min, 250. C @ 60. min
CapillaryOV-3512148.Korhonen, 1985N2, 6. K/min; Column length: 25. m; Column diameter: 0.32 mm; Tstart: 100. C; Tend: 230. C

Van Den Dool and Kratz RI, polar column, custom temperature program

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Column type Active phase I Reference Comment
CapillaryCP-Wax 52CB2148.Romeo, Ziino, et al., 200760. m/0.25 mm/0.25 «mu»m, He; Program: 45C(5min) => 10C/min => 80C => 2C/min => 240C
CapillaryDB-Wax2135.Ferrari, Lablanquie, et al., 200460. m/0.25 mm/0.25 «mu»m, He; Program: 35C(0.7min) => 20C/min => 70C => 4C/min => 240C

Normal alkane RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryHP-5 MS1893.Kim and Chung, 200930. m/0.25 mm/0.25 «mu»m, Helium, 35. C @ 5. min, 2. K/min, 195. C @ 30. min
CapillaryHP-5MS1874.Tzakou, Said, et al., 200630. m/0.25 mm/0.25 «mu»m, He, 3. K/min; Tstart: 60. C; Tend: 280. C
CapillaryDB-51890.Woerdenbag, Windono, et al., 200430. m/0.249 mm/0.25 «mu»m, He, 3. K/min; Tstart: 60. C; Tend: 300. C
CapillaryDB-51880.Palmeira, Conserva, et al., 200130. m/0.25 mm/0.25 «mu»m, He, 3. K/min; Tstart: 60. C; Tend: 270. C
CapillaryDB-11890.Rapior, Konska, et al., 200025. m/0.25 mm/0.13 «mu»m, He, 60. C @ 2. min, 4. K/min; Tend: 200. C
CapillaryDB-11877.Peppard, 199230. m/0.25 mm/1.0 «mu»m, He, 3. K/min, 250. C @ 30. min; Tstart: 40. C
CapillaryDB-11877.Peppard, 199230. m/0.25 mm/1.0 «mu»m, He, 3. K/min, 250. C @ 30. min; Tstart: 40. C
CapillaryUltra-11875.Okumura, 199125. m/0.32 mm/0.25 «mu»m, He, 3. K/min; Tstart: 80. C; Tend: 260. C

Normal alkane RI, non-polar column, custom temperature program

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Column type Active phase I Reference Comment
CapillaryPolydimethyl siloxane with 5 % Ph groups1894.Robinson, Adams, et al., 2012Program: not specified
CapillaryPolydimethyl siloxane with 5 % Ph groups1897.Robinson, Adams, et al., 2012Program: not specified
CapillaryBPX-51900.se Souza, Cardeal, et al., 200930. m/0.25 mm/0.25 «mu»m, Helium; Program: 35 0C (5 min) 3 0C/min -> 210 0C 40 0C/min -> 240 0C (10 min)
CapillaryBPX-51894.se Souza, Cardeal, et al., 200930. m/0.25 mm/0.25 «mu»m, Helium; Program: not specified
CapillarySE-301880.Vinogradov, 2004Program: not specified
CapillaryHP-51894.Demyttenaere, Sánchez Martínez, et al., 200330. m/0.25 mm/0.25 «mu»m, He; Program: 35C => 5C/min => 220C => 10C/min => 240C(5min)
CapillaryHP-5MS1894.Demyttenaere, Sánchez Martínez, et al., 200230. m/0.25 mm/0.25 «mu»m, He; Program: 35C => 5C/min => 160C => 10C/min => 220C (10min)

Normal alkane RI, polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-Wax2151.Zhao, Xu, et al., 200930. m/0.25 mm/0.25 «mu»m, Helium, 40. C @ 2. min, 3. K/min, 230. C @ 5. min
CapillaryDB-Wax2161.Choi, 200460. m/0.25 mm/0.25 «mu»m, N2, 70. C @ 2. min, 2. K/min, 230. C @ 20. min

Normal alkane RI, polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillarySupelco CO Wax-102163.Prompona, Kandylis, et al., 201260. m/0.32 mm/0.25 «mu»m, Helium; Program: 35 0C (6 min) 2 0C/min -> 60 0C (5 min) 5 0C/min -> 200 0C 25 0C/min -> 250 0C (6 min)
CapillaryDB-Wax2135.Zhao, Xu, et al., 200930. m/0.25 mm/0.25 «mu»m, Helium; Program: not specified
CapillaryCarbowax 20M2130.Vinogradov, 2004Program: not specified

References

Go To: Top, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Furr, Zeng, et al., 1990
Furr, H.C.; Zeng, S.; Clifford, A.J.; Olson, J.A., Capillary gas chromatography of retinoids (vitamin A compounds) and apo-retinoids: determination of Kováts retention indices, J. Chromatogr., 1990, 527, 406-413, https://doi.org/10.1016/S0378-4347(00)82124-6 . [all data]

Korhonen, 1985
Korhonen, I.O.O., Gas-liquid chromatographic analyses. XLIII. Retention increments for 2-chloro-, 2,2-dichloro- and 2,2,2-trichloroethyl esters of aliphatic C2-C20 n-alkanoic acids on SE-30 and OV-351 capillary columns, J. Chromatogr., 1985, 329, 43-56, https://doi.org/10.1016/S0021-9673(01)81894-X . [all data]

Pino, Mesa, et al., 2005
Pino, J.A.; Mesa, J.; Muñoz, Y.; Martí, M.P.; Marbot, R., Volatile components from mango (Mangifera indica L.) cultivars, J. Agric. Food Chem., 2005, 53, 6, 2213-2223, https://doi.org/10.1021/jf0402633 . [all data]

Gurbuz O., Rouseff J.M., et al., 2006
Gurbuz O.; Rouseff J.M.; Rouseff R.L., Comparison of aroma volatiles in commercial Merlot and Cabernet Sauvignon wines using gas chromatography - Olfactometry and gas chromatography - Mass spectrometry, J. Agric. Food Chem., 2006, 54, 11, 3990-3996, https://doi.org/10.1021/jf053278p . [all data]

Mahadevan and Farmer, 2006
Mahadevan, K.; Farmer, L., Key Odor Impact Compounds in Three Yeast Extract Pastes, J. Agric. Food Chem., 2006, 54, 19, 7242-7250, https://doi.org/10.1021/jf061102x . [all data]

Chung, Fung, et al., 2005
Chung, H.Y.; Fung, P.K.; Kim, J.-S., Aroma impact components in commercial plain sufu, J. Agric. Food Chem., 2005, 53, 5, 1684-1691, https://doi.org/10.1021/jf048617d . [all data]

Ledauphin, Saint-Clair, et al., 2004
Ledauphin, J.; Saint-Clair, J.-F.; Lablanquie, O.; Guichard, H.; Founier, N.; Guichard, E.; Barillier, D., Identification of trace volatile compounds in freshly distilled calvados and cognac using preparative separations coupled with gas chromatography-mass spectrometry, J. Agric. Food Chem., 2004, 52, 16, 5124-5134, https://doi.org/10.1021/jf040052y . [all data]

Pino, Almora, et al., 2003
Pino, J.; Almora, K.; Marbot, R., Volatile components of papaya (Carica papaya L., maradol variety) fruit, Flavour Fragr. J., 2003, 18, 6, 492-496, https://doi.org/10.1002/ffj.1248 . [all data]

Romeo, Ziino, et al., 2007
Romeo, V.; Ziino, M.; Giuffrrida, D.; Condurso, C.; Verzera, A., Flavour profile of capers (Capparis spinosa L.) from the Eolian Archipelago by HS-SPME/GC?MS, Food Chem., 2007, 101, 3, 1272-1278, https://doi.org/10.1016/j.foodchem.2005.12.029 . [all data]

Ferrari, Lablanquie, et al., 2004
Ferrari, G.; Lablanquie, O.; Cantagrel, R.; Ledauphin, J.; Payot, T.; Fournier, N.; Guichard, E., Determination of key odorant compounds in freshly distilled cognac using GC-O, GC-MS, and sensory evaluation, J. Agric. Food Chem., 2004, 52, 18, 5670-5676, https://doi.org/10.1021/jf049512d . [all data]

Kim and Chung, 2009
Kim, J.-S.; Chung, H.Y., GC-MS analysis of the volatile components in dried boxthorn (Lycium chimensis) Fruit, J. Korean Soc. Appl. Biol. Chem., 2009, 52, 5, 516-524, https://doi.org/10.3839/jksabc.2009.088 . [all data]

Tzakou, Said, et al., 2006
Tzakou, O.; Said, A.; Farag, A.; Rashed, K., Volatile constituents of Ailanthus excelsa Roxb., Flavour Fragr. J., 2006, 21, 6, 899-901, https://doi.org/10.1002/ffj.1739 . [all data]

Woerdenbag, Windono, et al., 2004
Woerdenbag, H.J.; Windono, T.; Bos, R.; Riswan, S.; Quax, W.J., Composition of the essential oils of Kaempferia rotunda L. and Kaempferia angustifolia Roscoe rhizomes from Indonesia, Flavour Fragr. J., 2004, 19, 2, 145-148, https://doi.org/10.1002/ffj.1284 . [all data]

Palmeira, Conserva, et al., 2001
Palmeira, S.F., Jr.; Conserva, L.M.; Andrade, E.H.A.; Guilhon, G.M.S.P., Analysis by GC-MS of the hexane extract of the aerial parts of Aristolochia acutifolia Duchtr., Flavour Fragr. J., 2001, 16, 2, 85-88, https://doi.org/10.1002/1099-1026(200103/04)16:2<85::AID-FFJ948>3.0.CO;2-2 . [all data]

Rapior, Konska, et al., 2000
Rapior, S.; Konska, G.; Guillot, J.; Andary, C.; Bessiere, J.-M., Volatile composition of Laetiporus sulphureus, Cryptogamie, Mycol., 2000, 21, 1, 67-72, https://doi.org/10.1016/S0181-1584(00)00109-3 . [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]

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]

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]

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]

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]

Choi, 2004
Choi, H.-S., Aroma evaluation of an aquatic herb, changpo (Acorus calamus Var. angustatus Bess), by AEDA and SPME, J. Agric. Food Chem., 2004, 52, 26, 8099-8104, https://doi.org/10.1021/jf040239p . [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 . [all data]


Notes

Go To: Top, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, References