Home Symbol which looks like a small house Up Solid circle with an upward pointer in it

Butanoic acid, 3-methyl-

Data at NIST subscription sites:

NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.


Normal alkane RI, non-polar column, temperature ramp

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 CapillaryCapillaryCapillaryCapillaryCapillary
Active phase VF-5 MSVF-5 MSHP-5 MSHP-5 MSHP-5 MS
Column length (m) 60.60.30.30.30.
Carrier gas HeliumHeliumHeliumHeliumHelium
Substrate      
Column diameter (mm) 0.320.320.320.250.25
Phase thickness (mum) 0.250.250.250.250.25
Tstart (C) 30.30.50.70.35.
Tend (C) 260.260.240.290.195.
Heat rate (K/min) 2.2.4.5.2.
Initial hold (min)   2. 5.
Final hold (min) 28.28.10.10.30.
I 867.872.837.817.845.
ReferenceLeffingwell and Alford, 2011Leffingwell and Alford, 2011Pino, Marquez, et al., 2010Radulovic, Dordevic, et al., 2010Kim and Chung, 2009
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase SE-54HP-5 MSRTX-5DB-5SPB-5
Column length (m) 30.30.60.30.30.
Carrier gas  Helium HeHe
Substrate      
Column diameter (mm) 0.320.250.320.250.25
Phase thickness (mum) 0.250.251.0.250.25
Tstart (C) 0.70.40.35.50.
Tend (C) 200.290.205.220.250.
Heat rate (K/min) 6.5.4.3.2.
Initial hold (min) 2. 5.  
Final hold (min)  10.5.40. 
I 875.827.838.831.840.
ReferenceLaselan, Buettner, et al., 2009Radulovic, Blagojevic, et al., 2009Berdague, Tournayre, et al., 2007El-Ghorab A., El-Massry K.F., et al., 2007Raal, Orav, et al., 2007
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase 5 % Phenyl methyl siloxane5 % Phenyl methyl siloxaneDB-5HP-5MSHP-5
Column length (m) 30.30.25.30.30.
Carrier gas HeHeHeHeHe
Substrate      
Column diameter (mm) 0.250.250.320.250.25
Phase thickness (mum) 1.1.0.250.250.25
Tstart (C) 40.40.40.40.50.
Tend (C) 250.250.230.260.300.
Heat rate (K/min) 7.7.6.4.5.
Initial hold (min) 10.10.1. 5.
Final hold (min) 5.5.  5.
I 843.843.858.901.8864.
ReferenceRamirez R. and Cava R., 2007Ramirez R. and Cava R., 2007Zeller and Rychlik, 2007Zizovic, Stamenic, et al., 2007Figuérédo, Cabassu, et al., 2006
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-5BPX5HP-5MDN-5MDN-5
Column length (m) 30.25.60.60.60.
Carrier gas HydrogenHeHeHeHe
Substrate      
Column diameter (mm) 0.250.200.320.250.25
Phase thickness (mum) 0.250.130.250.250.25
Tstart (C) 70.50.30.40.40.
Tend (C) 280.230.260.270.270.
Heat rate (K/min) 4.3.2.4.4.
Initial hold (min) 4.2.2.4.4.
Final hold (min)   28.5.5.
I 834.836.888.7878.855.
ReferencePino, Marbot, et al., 2006Boustie, Rapior, et al., 2005Leffingwell and Alford, 2005van Loon, Linssen, et al., 2005van Loon, Linssen, et al., 2005
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-5HP-5SE-54DB-5SPB-5
Column length (m) 30.30.30.30.60.
Carrier gas HeliumHeliumHeH2Helium
Substrate      
Column diameter (mm) 0.320.320.0530.250.32
Phase thickness (mum) 0.250.251.50.251.0
Tstart (C) 40.40.100.60.30.
Tend (C) 250.250.250.280.230.
Heat rate (K/min) 5.5.5.4.3.
Initial hold (min) 2.2. 10. 
Final hold (min) 5.5. 40. 
I 873.878.820.830.828.
ReferenceN/AN/AKilic, Hafizoglu, et al., 2004Pino, Marbot, et al., 2003Sebastian, Viallon-Fernandez, et al., 2003
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-5MSAT-1DB-5MSDB-5HP-5
Column length (m) 30. 30.30.60.
Carrier gas HeHeHeHeHe
Substrate      
Column diameter (mm) 0.53 0.320.320.32
Phase thickness (mum) 1.5 0.250.251.
Tstart (C) 40.50.40.40.40.
Tend (C) 225.300.195.230.240.
Heat rate (K/min) 6.10.5.6.3.
Initial hold (min) 5.2.5.2. 
Final hold (min) 30. 40.5. 
I 835.900.873.844.838.
ReferenceCadwallader and Heo, 2001Kelling, 2001Suriyaphan, Drake, et al., 2001Czerny and Grosch, 2000García, Martín, et al., 2000
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-5DB-5HP-5OV-101BP-5
Column length (m) 30.30.30.50.50.
Carrier gas H2H2HeNitrogenHe
Substrate      
Column diameter (mm) 0.320.320.250.250.32
Phase thickness (mum) 0.50.50.25 1.
Tstart (C) 60.60.40.40.40.
Tend (C) 245.245.240.200.190.
Heat rate (K/min) 3.3.3.2.2.
Initial hold (min) 3.3.5.10.5.
Final hold (min) 20.20.   
I 868.868.836.842.878.
ReferenceKotseridis and Baumes, 2000Kotseridis and Baumes, 2000Novak, Novak, et al., 2000Tamura, Boonbumrung, et al., 2000Lopez, Ferreira, et al., 1999
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-1DB-1SPB-5Optima 1HP-1
Column length (m) 25. 50.25.25.
Carrier gas   HeHelium 
Substrate      
Column diameter (mm) 0.20 0.320.200.32
Phase thickness (mum)   0.250.25 
Tstart (C) 35.50.60.50.35.
Tend (C) 250.260.240.200.250.
Heat rate (K/min) 4.4.3.3.4.
Initial hold (min)      
Final hold (min)   20.  
I 840.819.819.867.840.
ReferenceOng and Acree, 1999Schultz, Kaiser, et al., 1999Doneanu and Anitescu, 1998Fons, Rapior, et al., 1998Ong and Acree, 1998
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase BPX-5DB-5DB-5DB-1DB-1
Column length (m) 50.60.60.60.60.
Carrier gas He    
Substrate      
Column diameter (mm) 0.220.320.320.32 
Phase thickness (mum) 0.251.1.  
Tstart (C) 50.40.40.50.30.
Tend (C) 250.200.200.230.200.
Heat rate (K/min) 3.3.3.4.4.
Initial hold (min) 1.5.5. 25.
Final hold (min) 10.2.2.10.30.
I 843.838.842.830.830.
ReferenceD'Arcy, Rintoul, et al., 1997Kondjoyan, Viallon, et al., 1997Kondjoyan, Viallon, et al., 1997Binder, Benson, et al., 1990Buttery, Takeoka, et al., 1990
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type Capillary
Active phase DB-1
Column length (m) 60.
Carrier gas He
Substrate  
Column diameter (mm) 0.25
Phase thickness (mum)  
Tstart (C) 30.
Tend (C) 200.
Heat rate (K/min) 4.
Initial hold (min) 25.
Final hold (min) 5.
I 830.
ReferenceButtery, Teranishi, et al., 1990
Comment 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.

Leffingwell and Alford, 2011
Leffingwell, J.; Alford, E.D., Volatile constituents of the giant pufball mushroom (Calvatia gigantea), Leffingwell Rep., 2011, 4, 1-17. [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]

Radulovic, Dordevic, et al., 2010
Radulovic, N.; Dordevic, N.; Markovic, M.; Palic, R., Volatile constituents of Glechoma Hirsuta Waldst. Kit. and G. Hederacea L. (Lamiaceae), Bull. Chem. Soc. Ethiop., 2010, 24, 1, 67-76, https://doi.org/10.4314/bcse.v24i1.52962 . [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]

Laselan, Buettner, et al., 2009
Laselan, P.; Buettner, A.; Christlbauer, M., Investigation of the retronasal perseption of palm wine (Elaeis guineensis) aroma by application of sensory analysis and exhaled odorant measurement (EXOM), African J. of Food, Agriculture, Nutrition and development, 2009, 9, 2, 793-813. [all data]

Radulovic, Blagojevic, et al., 2009
Radulovic, N.S.; Blagojevic, P.D.; Palic, R.M.; Zlatkovic, B.K.; Stevanovic, B.M., Volatiles from vegetative organs of the paleoendemic resurrection plants Ramonda serbica Panc. and Ramonda nathaliae Panc. at Petrov, J. Serb. Chem. Soc., 2009, 74, 1, 35-44, https://doi.org/10.2298/JSC0901035R . [all data]

Berdague, Tournayre, et al., 2007
Berdague, J.L.; Tournayre, P.; Cambou, S., Novel multi-gas chromatography?olfactometry device and software for the identification of odour-active compounds, J. Chromatogr. A, 2007, 1146, 1, 85-92, https://doi.org/10.1016/j.chroma.2006.12.102 . [all data]

El-Ghorab A., El-Massry K.F., et al., 2007
El-Ghorab A.; El-Massry K.F.; Shibamoto T., Chemical composition of the volatile extract and antioxidant activities of the volatile and nonvolatile extracts of Egyptian corn silk (Zea mays L.), J. Agric. Food Chem., 2007, 55, 22, 9124-9127, https://doi.org/10.1021/jf071646e . [all data]

Raal, Orav, et al., 2007
Raal, A.; Orav, A.; Arak, E.; Kailas, T.; Müürisepp, M., Variation in the composition of the essential oil of Valeriana officinalis L. roots from Estonia, Proc. Est. Acad. Sci. Chem., 2007, 56, 2, 67-74. [all data]

Ramirez R. and Cava R., 2007
Ramirez R.; Cava R., Volatile profiles of dry-cured meat products from three different Iberian x Duroc genotypes, J. Agric. Food Chem., 2007, 55, 5, 1923-1931, https://doi.org/10.1021/jf062810l . [all data]

Zeller and Rychlik, 2007
Zeller, A.; Rychlik, M., Impact of estragole and other odorants on the flavour of anise and tarragon, Flavour Fragr. J., 2007, 22, 2, 105-113, https://doi.org/10.1002/ffj.1765 . [all data]

Zizovic, Stamenic, et al., 2007
Zizovic, I.; Stamenic, M.; Ivanovic, J.; Orlovic, A.; Ristic, M.; Djordjevic, S.; Petrovic, S.D.; Skala, D., Supercritical carbon dioxide extraction of sesquiterpenes from valerian root, J. Supercrit. Fluids, 2007, 43, 2, 249-258, https://doi.org/10.1016/j.supflu.2007.05.007 . [all data]

Figuérédo, Cabassu, et al., 2006
Figuérédo, G.; Cabassu, P.; Chalchat, J.-C.; Pasquier, B., Studies of Mediterranean oregano populations. VIII. Chemical composition of essential oils of oreganos of various origins, Flavour Fragr. J., 2006, 21, 1, 134-139, https://doi.org/10.1002/ffj.1543 . [all data]

Pino, Marbot, et al., 2006
Pino, J.A.; Marbot, R.; Payo, A.; Chao, D.; Herrera, P., Aromatic Plants from Western Cuba VII. Composition of the Leaf Oil of Psidium wrightii KRug et Urb., Lantana involucrata L., Cinnamonum montanum (Sw.) Berchtold et J. Persl. and Caesalpinia violacea (Mill.) Standley, J. Essent. Oil. Res., 2006, 18, 2, 170-174, https://doi.org/10.1080/10412905.2006.9699058 . [all data]

Boustie, Rapior, et al., 2005
Boustie, J.; Rapior, S.; Fortin, H.; Tomas, S.; Bessiere, J.-M., Chemotaxonomic interest of volatile components in Lepista inversa and Lepista flaccida distinctions, Cryptogamie, Mycologie, 2005, 26, 1, 1-4. [all data]

Leffingwell and Alford, 2005
Leffingwell, J.C.; Alford, E.D., Volatile constituents of Perique tobacco, Electron. J. Environ. Agric. Food Chem., 2005, 4, 2, 899-915. [all data]

van Loon, Linssen, et al., 2005
van Loon, W.A.M.; Linssen, J.P.H.; Legger, A.; Posthumus, M.A.; Voragen, A.G.J., Identification and olfactometry of French fries flavour extracted at mouth conditions, Food Chem., 2005, 90, 3, 417-425, https://doi.org/10.1016/j.foodchem.2004.05.005 . [all data]

Kilic, Hafizoglu, et al., 2004
Kilic, A.; Hafizoglu, H.; Kollmannsberger, H.; Nitz, S., Volatile constituents and key odorants in leaves, buds, flowers, and fruits of Laurus nobilis L., J. Agric. Food Chem., 2004, 52, 6, 1601-1606, https://doi.org/10.1021/jf0306237 . [all data]

Pino, Marbot, et al., 2003
Pino, J.A.; Marbot, R.; Fuentes, V., Characterization of volatiles in Bullock's heart (Annona reticulata L.) fruit cultivars from Cuba, J. Agric. Food Chem., 2003, 51, 13, 3836-3839, https://doi.org/10.1021/jf020733y . [all data]

Sebastian, Viallon-Fernandez, et al., 2003
Sebastian, I.; Viallon-Fernandez, C.; Berge, P.; Berdague, J.-L., Analysis of the volatile fraction of lamb fat tissue: influence of the type of feeding, Sciences des Aliments, 2003, 23, 4, 497-511, https://doi.org/10.3166/sda.23.497-511 . [all data]

Cadwallader and Heo, 2001
Cadwallader, K.R.; Heo, J., Aroma of roasted sesame oil: characterization by direct thermal desorption-gas chromatography-olfactometry and sample dilution analysis, Am. Chem. Soc. Symp. Ser., 2001, 782, 187-202. [all data]

Kelling, 2001
Kelling, F.J., Olfaction in houseflies: morphology and electrophysiology. Chapter 7. Chemical and electrophysiological analysis of components, present in natural products that attract houseflies, Dissertation, University of Groningen, The Netherlands, 2001. [all data]

Suriyaphan, Drake, et al., 2001
Suriyaphan, O.; Drake, M.; Chen, X.Q.; Cadwallader, K.R., Characteristic aroma components of British farmhouse cheddar cheese, J. Agric. Food Chem., 2001, 49, 3, 1382-1387, https://doi.org/10.1021/jf001121l . [all data]

Czerny and Grosch, 2000
Czerny, M.; Grosch, W., Potent odorants of raw Arabica coffee. Their changes during roasting, J. Agric. Food Chem., 2000, 48, 3, 868-872, https://doi.org/10.1021/jf990609n . [all data]

García, Martín, et al., 2000
García, C.; Martín, A.; Timón, M.L.; Córdoba, J.J., Microbial populations and volatile compounds in the 'bone taint' spoilage of dry cured ham, Lett. Appl. Microbiol., 2000, 30, 1, 61-66, https://doi.org/10.1046/j.1472-765x.2000.00663.x . [all data]

Kotseridis and Baumes, 2000
Kotseridis, Y.; Baumes, R., Identification of impact odorants in Bordeaux red grape juice, in the commercial yeast used for its fermentation, and in the produced wine, J. Agric. Food Chem., 2000, 48, 2, 400-406, https://doi.org/10.1021/jf990565i . [all data]

Novak, Novak, et al., 2000
Novak, J.; Novak, S.; Bitsch, C.; Franz, C.M., Essential oil composition of underground parts of Valeriana celtica ssp. from Austria and Italy, Flavour Fragr. J., 2000, 15, 1, 40-42, https://doi.org/10.1002/(SICI)1099-1026(200001/02)15:1<40::AID-FFJ863>3.0.CO;2-B . [all data]

Tamura, Boonbumrung, et al., 2000
Tamura, H.; Boonbumrung, S.; Yoshizawa, T.; Varanyanond, W., Volatile components of the essential oil in the pulp of four yellow mangoes (Mangifera indica L.) in Thailand, Food Sci. Technol. Res., 2000, 6, 1, 68-73, https://doi.org/10.3136/fstr.6.68 . [all data]

Lopez, Ferreira, et al., 1999
Lopez, R.; Ferreira, V.; Hernandez, P.; Cacho, J.F., Identification of impact odorants of young red wines made with Merlot, Cabernet Sauvignon and Grenache grape varieties: a comparative study, J. Sci. Food Agric., 1999, 79, 11, 1461-1467, https://doi.org/10.1002/(SICI)1097-0010(199908)79:11<1461::AID-JSFA388>3.0.CO;2-K . [all data]

Ong and Acree, 1999
Ong, P.K.C.; Acree, T.E., Similarities in the aroma chemistry of Gewürztraminer variety wines and lychee (Litchi chinesis Sonn.) fruit, J. Agric. Food Chem., 1999, 47, 2, 665-670, https://doi.org/10.1021/jf980452j . [all data]

Schultz, Kaiser, et al., 1999
Schultz, K.; Kaiser, R.; Knudsen, J.T., Cyclanthone and derivatives, new natural products in the flower scent of Cyclanthus bipartitus Poit., Flavour Fragr. J., 1999, 14, 3, 185-190, https://doi.org/10.1002/(SICI)1099-1026(199905/06)14:3<185::AID-FFJ809>3.0.CO;2-7 . [all data]

Doneanu and Anitescu, 1998
Doneanu, C.; Anitescu, G., Supercritical carbon dioxide extraction of Angelica archangelica L. root oil, J. Supercrit. Fluids, 1998, 12, 1, 59-67, https://doi.org/10.1016/S0896-8446(97)00040-5 . [all data]

Fons, Rapior, et al., 1998
Fons, F.; Rapior, S.; Gargadennec, A.; Andary, C.; Bessiere, J.-M., Volatile components of Plantago lanceolata (Plantaginaceae), Acta bot. Gallica, 1998, 145, 4, 265-269, https://doi.org/10.1080/12538078.1998.10516306 . [all data]

Ong and Acree, 1998
Ong, P.K.C.; Acree, T.E., Gas chromatography/olfactory analysis of lychee (Litchi chinesis Sonn.), J. Agric. Food Chem., 1998, 46, 6, 2282-2286, https://doi.org/10.1021/jf9801318 . [all data]

D'Arcy, Rintoul, et al., 1997
D'Arcy, B.R.; Rintoul, G.B.; Rowland, C.Y.; Blackman, A.J., Composition of Australian honey extractives. 1. Norisoprenoids, monoterpenes, and other natural volatiles from blue gum (Eucalyptus leucoxylon) and yellow box (Eucalyptus melliodora) honeys, J. Agric. Food Chem., 1997, 45, 5, 1834-1843, https://doi.org/10.1021/jf960625+ . [all data]

Kondjoyan, Viallon, et al., 1997
Kondjoyan, N.; Viallon, C.; Berdagué, J.L.; Daridan, D.; Simon, M.-N.; Legault, C., Analyse comparative de la fraction volatile de jambons secs de porcs Gascon et Large-White x Landrace Français, J. Rech. C.N.R.S., 1997, 29, 405-410, retrieved from http://www.rennes.inra.fr/srp/jrp/1997/97txtQualite/Q9704.pdf. [all data]

Binder, Benson, et al., 1990
Binder, R.G.; Benson, M.E.; Flath, R.A., Volatile Components of Safflower, J. Agric. Food Chem., 1990, 38, 5, 1245-1248, https://doi.org/10.1021/jf00095a020 . [all data]

Buttery, Takeoka, et al., 1990
Buttery, R.G.; Takeoka, G.; Teranishi, R.; Ling, L.C., Tomato aroma components: identification of glycoside hydrolysis volatiles, J. Agric. Food Chem., 1990, 38, 11, 2050-2053, https://doi.org/10.1021/jf00101a010 . [all data]

Buttery, Teranishi, et al., 1990
Buttery, R.G.; Teranishi, R.; Ling, L.C.; Turnbaugh, J.G., Quantitative and sensory studies on tomato paste volatiles, J. Agric. Food Chem., 1990, 38, 1, 336-340, https://doi.org/10.1021/jf00091a074 . [all data]


Notes

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