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

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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 BPX-5VF-5MSHP-5DB-5SE-54
Column length (m) 30.30. 30.30.
Carrier gas HeHe He 
Substrate      
Column diameter (mm) 0.250.25 0.320.32
Phase thickness (mum) 0.250.25 0.250.25
Program 35C => 4C/min => 200C => 30C/min => 300C (3min)40C(2min) => 5C/min => 200C (2min) => 30C/min => 260Cnot specified40C(3min) => 3C/min => 180C => 10C/min => 260C(2min)40C(2min) => 6C/min => 150C => 20C/min => 230C
I 1012.997.1002.995.1003.
ReferenceDharmawan, Kasapis, et al., 2007Carasek and Pawliszyn, 2006Künzel, Breuer, et al., 2006Moon, Cliff, et al., 2006Schuh and Schieberle, 2006
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-5MSDB-5MSDB-5SE-52DB-5MS
Column length (m) 30.30.30.25.30.
Carrier gas HeHeHeH2He
Substrate      
Column diameter (mm) 0.320.320.320.320.25
Phase thickness (mum) 0.50.51.0.430.25
Program 50C => 5C/min => 200C => 8C/min => 260C(5min)70C(1min) => 3C/min => 80C(1min) => 5C/min => 150C => 10C/min => 280C (4min)40C(2min) => 5C/min => 100C => 4C/min => 230C (10min)60C(8min) => 3C/min => 180C => 20C/min => 250C(10min)35C => 120C/min => 60C1.5C/min => 100C => 5C/min => 280C
I 1001.1009.1003.1003.1005.
ReferenceSelli, Rannou, et al., 2006Varlet V., Knockaert C., et al., 2006Wang, Finn, et al., 2005Frizzo, Lorenzo, et al., 2004Turchini, Giani, et al., 2004
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-5DB-1BPX-5DB-5DB-5
Column length (m) 50.3.50.30.25.
Carrier gas HeHeHeHeHe
Substrate      
Column diameter (mm) 0.20.320.250.320.32
Phase thickness (mum) 0.50.30.250.250.25
Program 40C(3min) => 10C/min => 60C =3C/min => 150C => 20C/min => 250C (5min)-20C(6min) => 8C/min =60C => 6C/min => 220C(5min)0C (5min) => 40C/min => 40C (2min) => 4C/min => 280C40C(1min) => 40C/min => 50C(2min) => 6C/min => 240C35C (2min) => 40C/min => 50C (2min) => 4C/min => 240C (10min)
I 986.1036.1005.1000.1000.
ReferenceBoué, Shih, et al., 2003Whetstine, Parker, et al., 2003Byrne, Bredie, et al., 2002Jezussek, Juliano, et al., 2002Kirchhoff and Schieberle, 2002
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-5CP Sil 8 CBDB-5DB-5CP Sil 8 CB
Column length (m) 25.60.30.30.60.
Carrier gas HeHeHeHe 
Substrate      
Column diameter (mm) 0.320.250.250.250.25
Phase thickness (mum) 0.250.250.250.250.25
Program 35C (2min) => 40C/min => 50C (2min) => 4C/min => 240C (10min)0C => rapidly => 40C(8min) => 4C/min => 250C(10min)35 C (2 min) 40 C/min -> 50 C (2 min) 4 C/min -> 230 C50C (1min) => 5C/min => 100C => 10C/min => 250C (9min)0C => rapidly => 40C(8min) => 4C/min => 250C(10min)
I 1000.1007.999.1003.1009.
ReferenceKirchhoff and Schieberle, 2002Oruna-Concha, Bakker, et al., 2002Zehentbauer and Reineccius, 2002Beaulieu and Grimm, 2001Duckham, Dodson, et al., 2001
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-5Ultra-2CP-Sil 8CB-MSBP-1DB-5
Column length (m) 25.50.60. 30.
Carrier gas He He  
Substrate      
Column diameter (mm) 0.320.20.25 0.32
Phase thickness (mum) 0.250.110.25 0.25
Program 35C(2min) => 40C/min => 50C(2min) => 4C/min => 240C(10min)35C (1min) => 4C/min => 160C => 45C/min => 300C (10min)0C(5min) => 40C/min => 40C (2min) => 4C/min => 280Cnot specified40C(2min) => 40C/min => 50C (1min) => 6C/min => 180C => 10C/min => 240C (5min)
I 1000.1002.1008.981.1003.
ReferenceKirchhoff and Schieberle, 2001Sartin, Halsall, et al., 2001Elmore, Mottram, et al., 2000Filippini, Tomi, et al., 2000Munk, Munch, et al., 2000
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-5DB-5DB-1CP Sil 8 CBSE-54
Column length (m) 30.50.15.30.30.
Carrier gas  HeHeHeHe
Substrate      
Column diameter (mm) 0.320.320.530.320.32
Phase thickness (mum) 0.250.51. 0.25
Program 40C(2min) => 40C/min => 50C (1min) => 6C/min => 180C => 10C/min => 240C (5min)oC(5min) => 60C/min => 60C (5min) => 4C/min => 250C40C(3min) => 8C/min => 200(1min) => 5C/min => 300C(25min)35C (2min) => 40C/min => 50C (2min) => 6C/min => 180C => 10C/min => 240C35C (2min) => 40C/min => 50C (2min) => 6C/min => 180C => 10C/min => 230C (10min)
I 1002.1014.981.1002.1000.
ReferenceMunk, Munch, et al., 2000Parker, Hassell, et al., 2000Peng, 2000Steinhaus and Schieberle, 2000Buettner and Schieberle, 1999
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase SE-54BPX-5SE-54RTX-5BPX-5
Column length (m) 30.50.60. 50.
Carrier gas HeHeHe He
Substrate      
Column diameter (mm) 0.320.320.32 0.32
Phase thickness (mum) 0.250.50.25 0.5
Program 35C (2min) => 40C/min => 50C => 4C/min => 230C (10min)0C(5min) => 40C/min => 40C(2min) => 4C/min => 280C40C(2min) => 5C/min => 70C(2min) => 6C/min => 250C(10min)not specifiedOC (5min) => 60C/min => 60C(5min) => 4C/min => 250C
I 1002.1015.1005.1002.1011.
ReferenceDerail, Hofmann, et al., 1999Elmore, Mottram, et al., 1999Mutti and Grosch, 1999Mutti and Grosch, 1999Bredie, Mottram, et al., 1998
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase SE-54BPX-5BPX-5SE-52DB-1
Column length (m) 30.50.50.60.15.
Carrier gas HeHeHeHeHe
Substrate      
Column diameter (mm) 0.320.320.320.320.32
Phase thickness (mum) 0.250.50.50.40 
Program 35C(2min) => 40C/min => 50C(2min) => 6C/min => 180C => 10C/min => 230C(10min)0C (5min) => 40C/min => 40C (2min) => 10C/min => 280C0C (10min) => 40C/min => 40C (2min) => 4C/min => 280C45 C (6 min) 3 C/min -> 111 0C 2 C/min -> 160 C 3 C/min -> 300 C (15 min)not specified
I 1000.1015.1015.1001.982.
ReferenceHinterholzer and Schieberie, 1998Elmore, Erbahadir, et al., 1997Elmore, Mottram, et al., 1997Mondello, Dugo, et al., 1995Mikolajczak, Zilkowski, et al., 1984
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI

References

Go To: Top, Van Den Dool and Kratz 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.

Dharmawan, Kasapis, et al., 2007
Dharmawan, J.; Kasapis, S.; Curran, P.; Johnson, J.R., Characterization of volatile compounds in selected citrus fruits from Asia. Part I: freshly-squeezed juice, Flavour Fragr. J., 2007, 22, 3, 228-232, https://doi.org/10.1002/ffj.1790 . [all data]

Carasek and Pawliszyn, 2006
Carasek, E.; Pawliszyn, J., Screening of Tropical Fruit Volatile Compounds Using Solid-Phase Microextraction (SPME) Fibers and Internally Cooled SPME Fiber, J. Agric. Food Chem., 2006, 54, 23, 8688-8696, https://doi.org/10.1021/jf0613942 . [all data]

Künzel, Breuer, et al., 2006
Künzel, H.; Breuer, K.; Mayer, F.; Sedlbauer, K., Luftqualität und Zufriedenheit - Verbesserung von Innenraumluftqualität und Nutzerzufriedenheit durch Materialgeruchsverbesserung, WKSB : Zeitschrift fur Warmeschutz, Kalteschutz, Schallschutz, Brandschutz, 2006, 57, 49-57. [all data]

Moon, Cliff, et al., 2006
Moon, S.-Y.; Cliff, M.A.; Li-Chan, E.C.Y., Odour-active components of simulated beef flavour analysed by solid phase microextraction and gas chromatography-mass spectrometry and -olfactometry, Food Res. Int., 2006, 39, 3, 294-308, https://doi.org/10.1016/j.foodres.2005.08.002 . [all data]

Schuh and Schieberle, 2006
Schuh, C.; Schieberle, P., Characterization of the Key Aroma Compounds in the Beverage Prepared from Darjeeling Black Tea: Quantitative Differences between Tea Leaves and Infusion, J. Agric. Food Chem., 2006, 54, 3, 916-924, https://doi.org/10.1021/jf052495n . [all data]

Selli, Rannou, et al., 2006
Selli, S.; Rannou, C.; Prost, C.; Robin, J.; Serot, T., Characterization of Aroma-Active Compounds in Rainbow Trout (Oncorhynchus mykiss) Eliciting an Off-Odor, J. Agric. Food Chem., 2006, 54, 25, 9496-9502, https://doi.org/10.1021/jf0619582 . [all data]

Varlet V., Knockaert C., et al., 2006
Varlet V.; Knockaert C.; Prost C.; Serot T., Comparison of odor-active volatile compounds of fresh and smoked salmon, J. Agric. Food Chem., 2006, 54, 9, 3391-3401, https://doi.org/10.1021/jf053001p . [all data]

Wang, Finn, et al., 2005
Wang, Y.; Finn, C.; Qian, M.C., Impact of Growing Environment on Chickasaw Blackberry ( Rubus L.) Aroma Evaluated by Gas Chromatography Olfactometry Dilution Analysis, J. Agric. Food Chem., 2005, 53, 9, 3563-3571, https://doi.org/10.1021/jf048102m . [all data]

Frizzo, Lorenzo, et al., 2004
Frizzo, C.D.; Lorenzo, D.; Dellacassa, E., Composition and seasonal variation of the essential oils from two mandarin cultivars of Southern Brazil, J. Agric. Food Chem., 2004, 52, 10, 3036-3041, https://doi.org/10.1021/jf030685x . [all data]

Turchini, Giani, et al., 2004
Turchini, G.M.; Giani, I.; Caprino, F.; Moretti, V.M.; Valfrè, F., Discrimination of origin of farmed trout by means of biometrical parameters, fillet composition and flavor volatile compounds, Ital. J. Anim. Sci., 2004, 3, 123-140. [all data]

Boué, Shih, et al., 2003
Boué, S.M.; Shih, B.Y.; Carter-Wientjes, C.H.; Cleveland, T.E., Identification of volatile compounds in soybean at various developmental stages using solid phase microextraction, J. Agric. Food Chem., 2003, 51, 17, 4873-4876, https://doi.org/10.1021/jf030051q . [all data]

Whetstine, Parker, et al., 2003
Whetstine, M.E.C.; Parker, J.D.; Drake, M.A.; Larick, D.K., Determining flavor and flavor variability in commercially produced liquid cheddar whey, J. Dairy Sci., 2003, 86, 2, 439-448, https://doi.org/10.3168/jds.S0022-0302(03)73622-4 . [all data]

Byrne, Bredie, et al., 2002
Byrne, D.V.; Bredie, W.L.P.; Mottram, D.S.; Martens, M., Sensory and chemical investigations on the effect of oven cooking on warmed-over flavour development in chicken meat, Meat Sci., 2002, 61, 2, 127-139, https://doi.org/10.1016/S0309-1740(01)00171-1 . [all data]

Jezussek, Juliano, et al., 2002
Jezussek, M.; Juliano, B.O.; Schieberle, P., Comparison of key aroma compounds in cooked brown rice varieties based on aroma extract dilution analysis, J. Agric. Food Chem., 2002, 50, 5, 1101-1105, https://doi.org/10.1021/jf0108720 . [all data]

Kirchhoff and Schieberle, 2002
Kirchhoff, E.; Schieberle, P., Quantitation of odor-active compounds in rye flour and rye sourdough using stable isotope dilution assays, J. Agric. Food Chem., 2002, 50, 19, 5378-5385, https://doi.org/10.1021/jf020236h . [all data]

Oruna-Concha, Bakker, et al., 2002
Oruna-Concha, M.J.; Bakker, J.; Ames, J.M., Comparison of the volatile components of two cultivars of potato cooked by boiling, conventional baking and microwave baking, J. Sci. Food Agric., 2002, 82, 9, 1080-1087, https://doi.org/10.1002/jsfa.1148 . [all data]

Zehentbauer and Reineccius, 2002
Zehentbauer, G.; Reineccius, G.A., Determination of key aroma components of cheddar cheese using dynamic headspace dilution assay, Flavour Fragr. J., 2002, 17, 4, 300-305, https://doi.org/10.1002/ffj.1102 . [all data]

Beaulieu and Grimm, 2001
Beaulieu, J.C.; Grimm, C.C., Identification of volatile compounds in cantaloupe at various developmental stages using solid phase microextraction, J. Agric. Food Chem., 2001, 49, 3, 1345-1352, https://doi.org/10.1021/jf0005768 . [all data]

Duckham, Dodson, et al., 2001
Duckham, S.C.; Dodson, A.T.; Bakker, J.; Ames, J.M., Volatile flavour components of baked potato flesh. A comparison of eleven potato cultivars, Nahrung/Food, 2001, 45, 5, 317-323, https://doi.org/10.1002/1521-3803(20011001)45:5<317::AID-FOOD317>3.0.CO;2-4 . [all data]

Kirchhoff and Schieberle, 2001
Kirchhoff, E.; Schieberle, P., Determination of key aroma compounds in the crumb of a three-stage sourdough rye bread by stable isotope dilution assays and sensory studies, J. Agric. Food Chem., 2001, 49, 9, 4304-4311, https://doi.org/10.1021/jf010376b . [all data]

Sartin, Halsall, et al., 2001
Sartin, J.H.; Halsall, C.J.; Davison, B.; Owen, S.; Hewitt, C.N., Determination of biogenic volatile organic compounds (C8-C16) in the coastal atmosphere at Mace Head, Ireland, Anal. Chim. Acta., 2001, 428, 1, 61-72, https://doi.org/10.1016/S0003-2670(00)01214-9 . [all data]

Elmore, Mottram, et al., 2000
Elmore, J.S.; Mottram, D.S.; Enser, M.; Wood, J.D., The effects of diet and breed on the volatile compounds of cooked lamb, Meat Sci., 2000, 55, 2, 149-159, https://doi.org/10.1016/S0309-1740(99)00137-0 . [all data]

Filippini, Tomi, et al., 2000
Filippini, M.-H.; Tomi, F.; Casanova, J., Composition of the leaf oil of Ferula arrigonii Bocchieri, Flavour Fragr. J., 2000, 15, 3, 195-198, https://doi.org/10.1002/1099-1026(200005/06)15:3<195::AID-FFJ891>3.0.CO;2-6 . [all data]

Munk, Munch, et al., 2000
Munk, S.; Munch, P.; Stahnke, L.; Adler-Nissen., J.; Schieberle, P., Primary odorants of laundry soiled with sweat/sebum: influence of lipase on the odor profile, Journal of Surfactants and Detergents, 2000, 3, 4, 505-515, https://doi.org/10.1007/s11743-000-0150-z . [all data]

Parker, Hassell, et al., 2000
Parker, J.K.; Hassell, G.M.E.; Mottram, D.S.; Guy, R.C.E., Sensory and instrumental analyses of volatiles generated during the extrusion cooking of oat flours, J. Agric. Food Chem., 2000, 48, 8, 3497-3506, https://doi.org/10.1021/jf991302r . [all data]

Peng, 2000
Peng, C.T., Prediction of retention indices. V. Influence of electronic effects and column polarity on retention index, J. Chromatogr. A, 2000, 903, 1-2, 117-143, https://doi.org/10.1016/S0021-9673(00)00901-8 . [all data]

Steinhaus and Schieberle, 2000
Steinhaus, M.; Schieberle, P., Comparison of the most odor-active compounds in fresh and dried hop cones (Humulus lupulus L. variety Spalter Select) based on GC-olfactometry and odor dilution techniques, J. Agric. Food Chem., 2000, 48, 5, 1776-1783, https://doi.org/10.1021/jf990514l . [all data]

Buettner and Schieberle, 1999
Buettner, A.; Schieberle, P., Characterization of the most odor-active volatiles in fresh, hand squeezed juice of grapefruit (Citrus paradise Macfayden), J. Agric. Food Chem., 1999, 47, 12, 5189-5193, https://doi.org/10.1021/jf990071l . [all data]

Derail, Hofmann, et al., 1999
Derail, C.; Hofmann, T.; Schieberle, P., Differences in key odorants of handmade juice of yellow-flesh peaches (Prunus persica L.) induced by the workup procedure, J. Agric. Food Chem., 1999, 47, 11, 4742-4745, https://doi.org/10.1021/jf990459g . [all data]

Elmore, Mottram, et al., 1999
Elmore, J.S.; Mottram, D.S.; Enser, M.; Wood, J.D., Effect of the polyunsaturated fatty acid composition of beef muscle on the profile of aroma volatiles, J. Agric. Food Chem., 1999, 47, 4, 1619-1625, https://doi.org/10.1021/jf980718m . [all data]

Mutti and Grosch, 1999
Mutti, B.; Grosch, W., Potent odorants of boiled potatoes, Nahrung, 1999, 43, 5, 302-306, https://doi.org/10.1002/(SICI)1521-3803(19991001)43:5<302::AID-FOOD302>3.0.CO;2-8 . [all data]

Bredie, Mottram, et al., 1998
Bredie, W.L.P.; Mottram, D.S.; Guy, R.C.E., Aroma volatiles generated during extrusion cooking of maize flour, J. Agric. Food Chem., 1998, 46, 4, 1479-1487, https://doi.org/10.1021/jf9708857 . [all data]

Hinterholzer and Schieberie, 1998
Hinterholzer, A.; Schieberie, P., Identification of the most odour-active volatiles in fresh, hand-extracted juice of valencia late oranges by odour dilution techniques, Flavour Fragr. J., 1998, 13, 1, 49-55, https://doi.org/10.1002/(SICI)1099-1026(199801/02)13:1<49::AID-FFJ691>3.0.CO;2-S . [all data]

Elmore, Erbahadir, et al., 1997
Elmore, J.S.; Erbahadir, M.A.; Mottram, D.S., Comparison of dynamic headspace concentration on Tenax with solid phase microextraction for the analysis of aroma volatiles, J. Agric. Food Chem., 1997, 45, 7, 2638-2641, https://doi.org/10.1021/jf960835m . [all data]

Elmore, Mottram, et al., 1997
Elmore, J.S.; Mottram, D.S.; Enser, M.; Wood, J.D., Novel thiazoles and 3-thiazolines in cooked beef aroma, J. Agric. Food Chem., 1997, 45, 9, 3603-3607, https://doi.org/10.1021/jf970066m . [all data]

Mondello, Dugo, et al., 1995
Mondello, L.; Dugo, P.; Basile, A.; Dugo, G., Interactive use of linear retention indices, on polar and apolar columns, with a MS-library for reliable identification of complex mixtures, J. Microcolumn Sep., 1995, 7, 6, 581-591, https://doi.org/10.1002/mcs.1220070605 . [all data]

Mikolajczak, Zilkowski, et al., 1984
Mikolajczak, K.L.; Zilkowski, B.W.; Smith, C.R., Jr.; Burkholder, W.E., Volatile food attractants for Oryzaephilus surinamensis (L.) from oats, J. Chem. Ecol., 1984, 10, 2, 301-309, https://doi.org/10.1007/BF00987858 . [all data]


Notes

Go To: Top, Van Den Dool and Kratz RI, non-polar column, custom temperature program, References