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Octanoic acid, methyl ester

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Normal alkane RI, non-polar column, temperature ramp

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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

Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-5HP-5 MSDB-5DB-5HP-5MS
Column length (m) 30.30.30.30.30.
Carrier gas HeliumHeliumNitrogenHeHe
Substrate      
Column diameter (mm) 0.250.320.250.320.25
Phase thickness (mum) 0.250.250.250.250.25
Tstart (C) 60.50.40.40.50.
Tend (C) 240.240.230.250.250.
Heat rate (K/min) 3.4.2.4.4.
Initial hold (min)  2. 2. 
Final hold (min)  10. 5. 
I 1126.1120.1127.1127.1126.
ReferenceFraternale, Ricci, et al., 2011Pino, Marquez, et al., 2010Scrivanti, Anton, et al., 2009Xu, Fan, et al., 2007Hadaruga, Hadaruga, et al., 2006
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-5SPB-5HP-5MSSPB-5RTX-5
Column length (m) 30.30.30.30.30.
Carrier gas H2HeHeHeHe
Substrate      
Column diameter (mm) 0.250.250.250.320.25
Phase thickness (mum) 0.250.250.250.250.25
Tstart (C) 50.60.60.40.60.
Tend (C) 280.250.285.220.150.
Heat rate (K/min) 4.4.4.35.1.
Initial hold (min) 2.2. 1.3.
Final hold (min) 10.20. 20. 
I 1126.1126.1125.1127.1125.
ReferencePino, Sauri-Duch, et al., 2006Pino, Marbot, et al., 2005Tesevic, Nikicevic, et al., 2005Ledauphin, Guichard, et al., 2003Kovacevic and Kac, 2002
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase Optima-1HP-1RTX-5DB-1DB-1
Column length (m) 25.25.30.30.60.
Carrier gas HeN2HeHeHe
Substrate      
Column diameter (mm) 0.200.20.250.250.25
Phase thickness (mum) 0.250.110.25 0.25
Tstart (C) 50.60.60.70.70.
Tend (C) 250.190.150.300.270.
Heat rate (K/min) 3.2.51.3.2.5
Initial hold (min) 3.3.3.5.5.
Final hold (min)  1.   
I 1111.1109.1125.1105.1106.
ReferenceBrun, Bessière, et al., 2001Kovacevic and Kac, 2001Kovacevic and Kac, 2001Guy and Vernin, 1996Tirado, Stashenko, et al., 1995
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-1DB-1DB-1DB-1OV-101
Column length (m) 30.30.60.60.50.
Carrier gas HeHeHeHe 
Substrate      
Column diameter (mm) 0.250.250.250.250.28
Phase thickness (mum) 1.01.00.250.25 
Tstart (C) 40.40.50.50.80.
Tend (C) 250.250.240.240.200.
Heat rate (K/min) 3.3.3.3.2.
Initial hold (min)      
Final hold (min) 30.30.   
I 1107.1107.1112.1112.1107.
ReferencePeppard, 1992Peppard, 1992Shiota, 1991Shiota, 1991Anker, Jurs, et al., 1990
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-1DB-1DB-1DB-1OV-101
Column length (m) 60.60.50.50.50.
Carrier gas HeHe   
Substrate      
Column diameter (mm) 0.320.320.320.320.32
Phase thickness (mum)      
Tstart (C) 30.30.0.50.40.
Tend (C) 210.210.250.250.225.
Heat rate (K/min) 2.2.3.3.4.
Initial hold (min) 4.4.  0.1
Final hold (min)     30.
I 1107.1111.1107.1106.1107.
ReferenceTakeoka and Butter, 1989Takeoka and Butter, 1989Habu, Flath, et al., 1985Habu, Flath, et al., 1985Stern, Flath, et al., 1985
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillary
Active phase OV-101SE-30OV-1
Column length (m) 50. 183.
Carrier gas  HeliumN2
Substrate    
Column diameter (mm) 0.32 0.762
Phase thickness (mum)    
Tstart (C) 50.70.0.
Tend (C) 225.170.230.
Heat rate (K/min) 4.2.1.
Initial hold (min) 0.1  
Final hold (min) 30.  
I 1105.1110.1106.
ReferenceStern, Flath, et al., 1985Alves and Jennings, 1979Schreyen, Dirinck, et al., 1979
Comment MSDC-RI MSDC-RI MSDC-RI

References

Go To: Top, Normal alkane RI, non-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.

Fraternale, Ricci, et al., 2011
Fraternale, D.; Ricci, D.; Flamini, G.; Giomaro, G., Volatile profile of red apple from Marche region (Italy), Rec. Nat. Prod., 2011, 5, 3, 202-207. [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]

Scrivanti, Anton, et al., 2009
Scrivanti, L.R.; Anton, A.M.; Zygadlo, J.A., Essential oil conposition of Bothriochloa Kuntze (Poaceae) from South America and their chemotaxonomy, Biochem. Systematics Ecol., 2009, 37, 3, 206-213, https://doi.org/10.1016/j.bse.2009.03.009 . [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]

Hadaruga, Hadaruga, et al., 2006
Hadaruga, N.G.; Hadaruga, D.I.; Paunescu, V.; Tatu, C.; Ordodi, V.L.; Bandur, G.; Lupea, A.X., Thermal stability of the linoleic acid/«alpha»- and «beta»-cyclodextrin complexes, Food Chem., 2006, 99, 3, 500-508, https://doi.org/10.1016/j.foodchem.2005.08.012 . [all data]

Pino, Sauri-Duch, et al., 2006
Pino, J.; Sauri-Duch, E.; Marbot, R., Changes in volatile compounds of Habanero chile pepper (Capsicum chinense Jack. cv. Habanero) at two ripening stages, Food Chem., 2006, 94, 3, 394-398, https://doi.org/10.1016/j.foodchem.2004.11.040 . [all data]

Pino, Marbot, et al., 2005
Pino, J.A.; Marbot, R.; Rosado, A.; Vázquez, C., Volatile constituents of genipap (Genipa americana L.) fruit from Cuba, Flavour Fragr. J., 2005, 20, 6, 583-586, https://doi.org/10.1002/ffj.1491 . [all data]

Tesevic, Nikicevic, et al., 2005
Tesevic, V.; Nikicevic, N.; Jovanovic, A.; Djokovic, D.; Vujisic, L.; Vuckovic, I.; Bonic, M., Volatile components from old plum brandies, Food Technol. Biotechnol., 2005, 43, 4, 367-372. [all data]

Ledauphin, Guichard, et al., 2003
Ledauphin, J.; Guichard, H.; Saint-Clair, J.-F.; Picoche, B.; Barillier, D., Chemical and sensorial aroma characterization of freshly distilled calvados. 2. Identification of volatile compounds and key odorants, J. Agric. Food Chem., 2003, 51, 2, 433-442, https://doi.org/10.1021/jf020373e . [all data]

Kovacevic and Kac, 2002
Kovacevic, N.; Kac, M., Analytical, nutritional, and clinical methods section. Determination and verification of hop varieties by analysis of essential oils, Food Chem., 2002, 77, 4, 489-494, https://doi.org/10.1016/S0308-8146(02)00114-0 . [all data]

Brun, Bessière, et al., 2001
Brun, G.; Bessière, J.-M.; Dijoux-Franca, M.-G.; David, B.; Mariotte, A.-M., Volatile components of Catharanthus roseus (L.) G. Don (Apocynaceae), Flavour Fragr. J., 2001, 16, 2, 116-119, https://doi.org/10.1002/ffj.958 . [all data]

Kovacevic and Kac, 2001
Kovacevic, M.; Kac, M., Solid-phase microextraction of hop volatiles potential use for determination and verification of hop varieties, J. Chromatogr. A, 2001, 918, 1, 159-167, https://doi.org/10.1016/S0021-9673(01)00719-1 . [all data]

Guy and Vernin, 1996
Guy, I.; Vernin, G., Minor compounds from Cistus ladaniferus L. essential oil from esterel. 2. Acids and phenols, J. Essent. Oil Res., 1996, 8, 4, 455-462, https://doi.org/10.1080/10412905.1996.9700666 . [all data]

Tirado, Stashenko, et al., 1995
Tirado, C.B.; Stashenko, E.E.; Combariza, M.Y.; Martinez, J.R., Comparative study of Colombian citrus oils by high-resolution gas chromatography and gas chromatography-mass spectrometry, J. Chromatogr. A, 1995, 697, 1-2, 501-513, https://doi.org/10.1016/0021-9673(94)00955-9 . [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]

Shiota, 1991
Shiota, H., Volatile components of pawpaw fruit (Asimina triloba Dunal.), J. Agric. Food Chem., 1991, 39, 9, 1631-1635, https://doi.org/10.1021/jf00009a019 . [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]

Takeoka and Butter, 1989
Takeoka, G.; Butter, R.G., Volatile constituents of pineapple (Ananas Comosus [L.] Merr.) in Flavor Chemistry. Trends and Developments, Teranishi,R.; Buttery,R.G.; Shahidi,F., ed(s)., American Chemical Society, Washington, DC, 1989, 223-237. [all data]

Habu, Flath, et al., 1985
Habu, T.; Flath, R.A.; Mon, T.R.; Morton, J.F., Volatile components of Rooibos tea (Aspalathus linearis), J. Agric. Food Chem., 1985, 33, 2, 249-254, https://doi.org/10.1021/jf00062a024 . [all data]

Stern, Flath, et al., 1985
Stern, D.J.; Flath, R.A.; Mon, T.R.; Teranishi, R.; Lundin, R.E.; Benson, M.E., Crude oleic acid volatiles, J. Agric. Food Chem., 1985, 33, 2, 180-184, https://doi.org/10.1021/jf00062a005 . [all data]

Alves and Jennings, 1979
Alves, S.; Jennings, W.G., Volatile composition of certain Amazonian fruits, Food Chem., 1979, 4, 2, 149-159, https://doi.org/10.1016/0308-8146(79)90039-6 . [all data]

Schreyen, Dirinck, et al., 1979
Schreyen, L.; Dirinck, P.; Sandra, P.; Schamp, N., Flavor analysis of quince, J. Agric. Food Chem., 1979, 27, 4, 872-876, https://doi.org/10.1021/jf60224a058 . [all data]


Notes

Go To: Top, Normal alkane RI, non-polar column, temperature ramp, References