Home Page Flashcards ethyl butanoate C6H12O2 structure - Flashcards

ethyl butanoate C6H12O2 structure – Flashcards

Flashcard maker : Pat Coker

Contents

Experimental Melting Point:
Experimental Boiling Point:
Experimental Flash Point:
Experimental Gravity:
Experimental Refraction Index:
Appearance:
Stability:
Toxicity:
Safety:
Retention Index (Kovats):
Retention Index (Normal Alkane):

Molecular Formula	C₆H₁₂O₂
Average mass	116.158 Da
Density	0.9±0.1 g/cm³
Boiling Point	122.4±3.0 °C at 760 mmHg
Flash Point	19.4±0.0 °C
Molar Refractivity	31.6±0.3 cm³
Polarizability	12.5±0.5 10^-24cm³
Surface Tension	25.9±3.0 dyne/cm
Molar Volume	131.1±3.0 cm³

Experimental data
Predicted – ACD/Labs
Predicted – EPISuite
Predicted – ChemAxon
Predicted – Mcule

Experimental Physico-chemical Properties

Experimental Melting Point:

-93 °C Alfa Aesar

-93 °C Oxford University Chemical Safety Data (No longer updated) More details

-98 °C Jean-Claude Bradley Open Melting Point Dataset 20586

-93 °C Jean-Claude Bradley Open Melting Point Dataset 13482, 15801, 7163

-93 °C Alfa Aesar L06025

-93 °C (Literature) LabNetwork LN00194891

-93.3 °C FooDB FDB012082

Experimental Boiling Point:

119-120 °C Alfa Aesar

121 °C Food and Agriculture Organization of the United Nations Ethyl butanoate

121 °C Oxford University Chemical Safety Data (No longer updated) More details

119-120 °C Alfa Aesar L06025

120 °C (Literature) LabNetwork LN00194891

119.9 °C FooDB FDB012082

Experimental Flash Point:

26 °C Alfa Aesar

26 °C Oxford University Chemical Safety Data (No longer updated) More details

26 °C Alfa Aesar

26 °F (-3.3333 °C)
Alfa Aesar L06025

67 °C LabNetwork LN00194891
Experimental Gravity:

20 g/mL Merck Millipore 1908

20 g/l Merck Millipore 1908, 800500

0.879 g/mL Alfa Aesar L06025
Experimental Refraction Index:

1.392 Alfa Aesar L06025

1.391-1.394 Food and Agriculture Organization of the United Nations Ethyl butanoate

20 FooDB FDB012082

Miscellaneous

Appearance:

Colourless liquid with a banana, pineapple odour Food and Agriculture Organization of the United Nations Ethyl butanoate

colourless liquid with a fruity odour Oxford University Chemical Safety Data (No longer updated) More details

Stability:

Stable. Flammable. Incompatible with strong oxidizing agents,acids, bases. Oxford University Chemical Safety Data (No longer updated) More details
Toxicity:

ORL-RAT LD50 13000 mg kg-1, ORL-RBT LD50 5228 mg kg-1, SKN-RBT LD50 > 2000 mg kg-1 Oxford University Chemical Safety Data (No longer updated) More details

Safety:

10-36/37/38 Alfa Aesar L06025

26-37 Alfa Aesar L06025

3 Alfa Aesar L06025

DANGER: FLAMMABLE, irritates skin, eyes, lungs Alfa Aesar L06025

FLAMMABLE / IRRITANT Alfa Aesar L06025

H226-H315-H319-H335 Alfa Aesar L06025

Minimize contact. Safety glasses. Remove sources ofignition from the working area. Oxford University Chemical Safety Data (No longer updated) More details

P210-P261-P303+P361+P353-P305+P351+P338-P405-P501a Alfa Aesar L06025

Warning Alfa Aesar L06025

Gas Chromatography

Retention Index (Kovats):

784 (Program type: Isothermal; Col… (show more) umn class: Standard non-polar; Column length: 2 m; Column type: Packed; Start T: 100 C; CAS no: 105544; Active phase: SE-30; Substrate: Chromosorb W; Data type: Kovats RI; Authors: Zarazir, D.; Chovin, P.; Guiochon, G., Identification of hydroxylic compounds and their derivatives by gas chromatography, Chromatographia, 3, 1970, 180-195., Program type: Isothermal; Col… (show more) umn class: Standard non-polar; Column type: Capillary; Start T: 333 C; CAS no: 105544; Active phase: OV-1; Data type: Kovats RI; Authors: Hu, X.-F.; Lu, C.-H.; Yin, C.-S., Modeling Gas Chromatographic Retention Indices of Oxygen-containing Compounds by Novel Atom-type Topological Indices, Chinese Journal of Chemical Physics, 19(3), 2006, 243-247.) NIST Spectra nist ri

780.2 (Program type: Isothermal; Col… (show more) umn class: Standard non-polar; Column diameter: 0.35 mm; Column length: 40 m; Column type: Capillary; Start T: 100 C; CAS no: 105544; Active phase: SE-30; Phase thickness: 0.35 um; Data type: Kovats RI; Authors: Tudor, E., Temperature dependence of the retention index for perfumery compounds on a SE-30 glass capillary column. I. Linear equations, J. Chromatogr. A, 779, 1997, 287-297.) NIST Spectra nist ri

785 (Program type: Ramp; Column cl… (show more) ass: Standard non-polar; Column diameter: 0.32 mm; Column length: 12 m; Column type: Capillary; Heat rate: 6 K/min; Start T: 35 C; End T: 185 C; Start time: 3 min; CAS no: 105544; Active phase: OV-101; Carrier gas: He; Data type: Kovats RI; Authors: Marin, A.B.; Acree, T.E.; Hotchkiss, J.H.; Nagy, S., Gas chromatography–olfactometry of orange juice to assess the effects of plastic polymers on aroma character, J. Agric. Food Chem., 40(4), 1992, 650-654.) NIST Spectra mainlib_118787, replib_20358, replib_61389, replib_229106, nist ri

789 (Program type: Ramp; Column cl… (show more) ass: Standard non-polar; Column diameter: 0.32 mm; Column length: 60 m; Column type: Capillary; Heat rate: 2 K/min; Start T: 30 C; End T: 210 C; Start time: 4 min; CAS no: 105544; Active phase: DB-1; Carrier gas: He; Phase thickness: 0.25 um; Data type: Kovats RI; Authors: Takeoka, G.R.; Buttery, R.G.; Flath, R.A., Volatile constituents of Asian pear (Pyrus serotina), J. Agric. Food Chem., 40, 1992, 1925-1929., Program type: Ramp; Column cl… (show more) ass: Standard non-polar; Column diameter: 0.32 mm; Column length: 60 m; Column type: Capillary; Heat rate: 2 K/min; Start T: 30 C; End T: 210 C; Start time: 4 min; CAS no: 105544; Active phase: DB-1; Carrier gas: He; Phase thickness: 0.25 um; Data type: Kovats RI; Authors: Takeoka, G.R.; Flath, R.A.; Mon, T.R.; Teranishi, R.; Guentert, M., Volatile Constituents of Apricot (Prunus armeniaca), J. Agric. Food Chem., 38(2), 1990, 471-477.) NIST Spectra nist ri

791 (Program type: Ramp; Column cl… (show more) ass: Standard non-polar; Column diameter: 0.29 mm; Column length: 80 m; Column type: Capillary; CAS no: 105544; Active phase: SE-30; Data type: Kovats RI; Authors: Brander, C.F.; Kepner, R.E.; Webb, A.D., Identification of Some Volatile Compounds of Wine of Vitis Vinifera Cultivar Pinot Noir, Am. J. Enol. Vitic, 31(1), 1980, 69-75., Program type: Ramp; Column cl… (show more) ass: Standard non-polar; Column diameter: 0.32 mm; Column length: 60 m; Column type: Capillary; Heat rate: 2 K/min; Start T: 30 C; End T: 210 C; Start time: 4 min; CAS no: 105544; Active phase: DB-1; Carrier gas: He; Phase thickness: 0.25 um; Data type: Kovats RI; Authors: Takeoka, G.R.; Buttery, R.G.; Flath, R.A., Volatile constituents of Asian pear (Pyrus serotina), J. Agric. Food Chem., 40, 1992, 1925-1929.) NIST Spectra nist ri

792 (Program type: Isothermal; Col… (show more) umn class: Standard non-polar; Column diameter: 0.33 mm; Column length: 25 m; Column type: Capillary; Start T: 80 C; CAS no: 105544; Active phase: SE-30; Carrier gas: N2; Data type: Kovats RI; Authors: Haken, J.K.; Korhonen, I.O.O., Gas chromatography of homologous esters. XXVIII. Retention increments of aliphatic C1-C18 n-alkyl esters of butanoic acid and its monochloro derivatives on SE-30 and OV-351 capillary columns, J. Chromatogr., 320, 1985, 325-334., Program type: Ramp; Column cl… (show more) ass: Standard non-polar; Column diameter: 0.32 mm; Column length: 60 m; Column type: Capillary; Heat rate: 2 K/min; Start T: 30 C; End T: 210 C; Start time: 4 min; CAS no: 105544; Active phase: DB-1; Carrier gas: He; Phase thickness: 0.25 um; Data type: Kovats RI; Authors: Takeoka, G.R.; Buttery, R.G.; Flath, R.A., Volatile constituents of Asian pear (Pyrus serotina), J. Agric. Food Chem., 40, 1992, 1925-1929.) NIST Spectra nist ri

793 (Program type: Ramp; Column cl… (show more) ass: Standard non-polar; Column diameter: 0.32 mm; Column length: 60 m; Column type: Capillary; Heat rate: 2 K/min; Start T: 30 C; End T: 210 C; Start time: 4 min; CAS no: 105544; Active phase: DB-1; Carrier gas: He; Phase thickness: 0.25 um; Data type: Kovats RI; Authors: Takeoka, G.R.; Buttery, R.G.; Flath, R.A., Volatile constituents of Asian pear (Pyrus serotina), J. Agric. Food Chem., 40, 1992, 1925-1929., Program type: Ramp; Column cl… (show more) ass: Standard non-polar; Column length: 50 m; Column type: Capillary; Heat rate: 2 K/min; Start T: -100 C; End T: 200 C; CAS no: 105544; Active phase: BP-1; Carrier gas: He; Data type: Kovats RI; Authors: Bartley, J.P., Volatile flavours of Australian tropical fruits, Biomed. Environ. Mass Spectrom., 16, 1988, 201-205.) NIST Spectra nist ri

790 (Program type: Ramp; Column cl… (show more) ass: Standard non-polar; Column diameter: 0.23 mm; Column length: 50 m; Column type: Capillary; Heat rate: 2 K/min; Start T: 30 C; End T: 200 C; Start time: 2 min; CAS no: 105544; Active phase: BP-1; Carrier gas: He; Data type: Kovats RI; Authors: Bartley, J.P.; Schwede, A.M., Production of volatile componds in ripening kiwi fruit (Actinidia chinensis), J. Agric. Food Chem., 37(4), 1989, 1023-1025., Program type: Ramp; Column cl… (show more) ass: Standard non-polar; Column diameter: 0.29 mm; Column length: 80 m; Column type: Capillary; CAS no: 105544; Active phase: SE-30; Data type: Kovats RI; Authors: Brander, C.F.; Kepner, R.E.; Webb, A.D., Identification of Some Volatile Compounds of Wine of Vitis Vinifera Cultivar Pinot Noir, Am. J. Enol. Vitic, 31(1), 1980, 69-75., Program type: Ramp; Column cl… (show more) ass: Standard non-polar; Column diameter: 0.31 mm; Column length: 25 m; Column type: Capillary; Heat rate: 2 K/min; Start T: 60 C; End T: 200 C; CAS no: 105544; Active phase: OV-101; Carrier gas: He; Data type: Kovats RI; Authors: Morales, A.L.; Duque, C., Aroma constituents of the fruit of the moutain papaya (Carica pubescens) from Colombia, J. Agric. Food Chem., 35(4), 1987, 538-540.) NIST Spectra nist ri

783 (Program type: Isothermal; Col… (show more) umn class: Standard non-polar; Column diameter: 0.33 mm; Column length: 25 m; Column type: Capillary; Start T: 120 C; CAS no: 105544; Active phase: SE-30; Carrier gas: N2; Data type: Kovats RI; Authors: Haken, J.K.; Korhonen, I.O.O., Gas chromatography of homologous esters. XXVIII. Retention increments of aliphatic C1-C18 n-alkyl esters of butanoic acid and its monochloro derivatives on SE-30 and OV-351 capillary columns, J. Chromatogr., 320, 1985, 325-334.) NIST Spectra nist ri

802 (Program type: Isothermal; Col… (show more) umn class: Standard non-polar; Column diameter: 0.33 mm; Column length: 25 m; Column type: Capillary; Start T: 100 C; CAS no: 105544; Active phase: SE-30; Carrier gas: N2; Data type: Kovats RI; Authors: Haken, J.K.; Korhonen, I.O.O., Gas chromatography of homologous esters. XXVIII. Retention increments of aliphatic C1-C18 n-alkyl esters of butanoic acid and its monochloro derivatives on SE-30 and OV-351 capillary columns, J. Chromatogr., 320, 1985, 325-334.) NIST Spectra nist ri

796 (Program type: Isothermal; Col… (show more) umn class: Standard non-polar; Column diameter: 0.33 mm; Column length: 25 m; Column type: Capillary; Start T: 140 C; CAS no: 105544; Active phase: SE-30; Carrier gas: N2; Data type: Kovats RI; Authors: 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., 329, 1985, 43-56.) NIST Spectra nist ri

806 (Program type: Isothermal; Col… (show more) umn class: Standard non-polar; Column diameter: 0.33 mm; Column length: 25 m; Column type: Capillary; Start T: 160 C; CAS no: 105544; Active phase: SE-30; Carrier gas: N2; Data type: Kovats RI; Authors: 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., 329, 1985, 43-56.) NIST Spectra nist ri

782 (Program type: Isothermal; Col… (show more) umn class: Standard non-polar; Column diameter: 0.22 mm; Column length: 15 m; Column type: Capillary; Start T: 80 C; CAS no: 105544; Active phase: OV-101; Carrier gas: N2; Data type: Kovats RI; Authors: Komarek, K.; Hornova, L.; Churacek, J., Glass capillary gas chromatography of homologous series of esters. II. Separation of homologous series of halogenoethyl esters of aliphatic monocarboxylic acids on OV-101, J. Chromatogr., 252, 1982, 293-296., Program type: Isothermal; Col… (show more) umn class: Standard non-polar; Column diameter: 0.22 mm; Column length: 15 m; Column type: Capillary; Start T: 80 C; CAS no: 105544; Active phase: OV-101; Data type: Kovats RI; Authors: Komarek, K.; Hornova, L.; Horna, A.; Churacek, J., Glass capillary gas chromatography of homologous series of esters. III. Separation of alkyl halogenopropionates and halogenobutyrates on OV-101, J. Chromatogr., 262, 1983, 316-320., Program type: Isothermal; Col… (show more) umn class: Standard non-polar; Column length: 3 m; Column type: Packed; Start T: 100 C; CAS no: 105544; Active phase: SE-30; Carrier gas: N2; Substrate: Chromosorb W AW (60-80 mesh); Data type: Kovats RI; Authors: Chastrette, M.; Heintz, M.; Druilhe, A.; Lefort, D., Analyse chromatographique d’esters aliphatiques satures. Relations retention-structure et prevision de la retention, Bull. Soc. Chim. Fr., , 1974, 1852-1856.) NIST Spectra nist ri

781 (Program type: Isothermal; Col… (show more) umn class: Standard non-polar; Column length: 2 m; Column type: Packed; Start T: 100 C; CAS no: 105544; Active phase: SE-30; Substrate: Gaschrom Q; Data type: Kovats RI; Authors: Winskowski, J., Gaschromatographische Identifizierung von Stoffen anhand von Indexziffem und unterschiedlichen Detektoren, Chromatographia, 17(3), 1983, 160-165.) NIST Spectra nist ri

771 (Program type: Isothermal; Col… (show more) umn class: Standard non-polar; Column length: 12 ft; Column type: Packed; Start T: 150 C; CAS no: 105544; Active phase: SE-30; Substrate: Chromosorb W AW DMCS; Data type: Kovats RI; Authors: Haken, J.K.; Srisukh, D., Gas chromatography of homologous esters. XV. Molecular retention indices of aliphatic esters, J. Chromatogr., 219, 1981, 45-52.) NIST Spectra nist ri

778 (Program type: Isothermal; Col… (show more) umn class: Standard non-polar; Column length: 12 ft; Column type: Packed; Start T: 150 C; CAS no: 105544; Active phase: SE-30; Substrate: Celaton (62-72 mesh); Data type: Kovats RI; Authors: Ashes, J.R.; Haken, J.K., Gas chromatography of homologous esters. VI. Structure-retention increments of aliphatic esters, J. Chromatogr., 101, 1974, 103-123., Program type: Isothermal; Col… (show more) umn class: Standard non-polar; Column type: Capillary; CAS no: 105544; Active phase: SE-30; Data type: Kovats RI; Authors: Chretien, J.R.; Dubois, J-E., Topological Analysis: A Technique for the Physico-Chemical Exploitation of Retention Data in Gas-Liquid Chromatography, J. Chromatogr., 158, 1978, 43-56.) NIST Spectra nist ri

788 (Program type: Isothermal; Col… (show more) umn class: Standard non-polar; Column length: 12 ft; Column type: Packed; Start T: 150 C; CAS no: 105544; Active phase: SE-30; Substrate: Celite 560; Data type: Kovats RI; Authors: Germaine, R.W.; Haken, J.K., Gas chromatography of homologous esters. Part 1. Simple aliphatic esters, J. Chromatogr., 43, 1969, 33-42., Program type: Isothermal; Col… (show more) umn class: Standard non-polar; Column type: Packed; Start T: 150 C; CAS no: 105544; Active phase: OV-1; Data type: Kovats RI; Authors: Ashes, J.R.; Haken, J.K., Gas chromatography of homologous esters. Part V. Retention of aliphatic esters on non-polar, donar and acceptor stationary phases, J. Chromatogr., 60, 1971, 33-44.) NIST Spectra nist ri

775 (Program type: Isothermal; Col… (show more) umn class: Standard non-polar; Column length: 4 m; Column type: Packed; Start T: 120 C; CAS no: 105544; Active phase: DC-200; Substrate: Celite; Data type: Kovats RI; Authors: Reymond, D.; Mueggler-Chavan, F.; Viani, R.; Vuataz, L.; Egli, R.H., Gas chromatographic analysis of steam volatile aroma constituents: application to coffee, tea and cocoa aromas, J. Gas Chromatogr., , 1966, 28-31.) NIST Spectra nist ri

799 (Program type: Complex; Column… (show more) class: Semi-standard non-polar; Column diameter: 0.25 mm; Column length: 30 m; Column type: Capillary; Description: 40C=;2C/min=;60C=;4C/min=;260C; CAS no: 105544; Active phase: DB-5; Carrier gas: He; Phase thickness: 0.25 um; Data type: Kovats RI; Authors: Andrade, E.H.A.; Santos, A.S.; Zoghbi, M.G.B.; Maia, J.G.S., Volatile constituents of fruits of Astrocarium vulgare Mart. and Bactris gasipaes H.B.K. (Arecaceae), Flavour Fragr. J., 13, 1998, 151-153.) NIST Spectra nist ri

798 (Program type: Complex; Column… (show more) class: Semi-standard non-polar; Column diameter: 0.25 mm; Column length: 30 m; Column type: Capillary; Description: 40C=;2C/min=;60C=;4C/min=;240C; CAS no: 105544; Active phase: DB-5; Carrier gas: He; Phase thickness: 0.25 um; Data type: Kovats RI; Authors: Santos, A.S.; Andrade, E.H.A.; Zoghbi, M.G.B.; Maia, J.G.S., Volatile constituents of fruits of Annona glabra L. from Brazil, Flavour Fragr. J., 13, 1998, 148-150.) NIST Spectra nist ri

764 (Program type: Ramp; Column cl… (show more) ass: Semi-standard non-polar; Column length: 1.2 m; Column type: Packed; CAS no: 105544; Active phase: Apiezon L; Substrate: Chromosorb W HMDS HP (00-120 mesh); Data type: Kovats RI; Authors: Rasmussen, P., Identification of Volatile Components of Jacjfruit by Gas Chromatography / MAss Spectrometry with Two Different Columns, Anal. Chem., 55(8), 1983, 1331-1335, In original 1331-1335., Program type: Ramp; Column cl… (show more) ass: Semi-standard non-polar; Column length: 1.2 m; Column type: Packed; Heat rate: 4 K/min; Start T: 50 C; End T: 200 C; CAS no: 105544; Active phase: Apiezon L; Substrate: Chromosorb W HMDS HP (00-120 mesh); Data type: Kovats RI; Authors: Rasmussen, P., Identification of Volatile Components of Jacjfruit by Gas Chromatography / MAss Spectrometry with Two Different Columns, Anal. Chem., 55(8), 1983, 1331-1335, In original 1331-1335.) NIST Spectra nist ri

760 (Program type: Isothermal; Col… (show more) umn class: Semi-standard non-polar; Column type: Packed; Start T: 200 C; CAS no: 105544; Active phase: Porapack Q; Carrier gas: N2; Data type: Kovats RI; Authors: Goebel, K.-J., Gaschromatographische Identifizierung Niedrig Siedender Substanzen Mittels Retentionsindices und Rechnerhilfe, J. Chromatogr., 235, 1982, 119-127.) NIST Spectra nist ri

1026 (Program type: Complex; Column… (show more) class: Standard polar; Column diameter: 0.25 mm; Column length: 30 m; Column type: Capillary; Description: 40C(5min)=;5C/min =; 150C =; 8C/min =; 240C(25min); CAS no: 105544; Active phase: DB-Wax; Carrier gas: He; Phase thickness: 0.25 um; Data type: Kovats RI; Authors: Rezende, C.M.; Fraga, S.R.G., Chemical and aroma determination of the pulp and seeds of murici (Byrsonima crassifolia L.), J. Braz. Chem. Soc., 14(3), 2003, 425-428.) NIST Spectra nist ri

1042 (Program type: Complex; Column… (show more) class: Standard polar; Column diameter: 0.25 mm; Column length: 30 m; Column type: Capillary; Description: 50 0C (8 min) ^ 4 K/min -; 110 0C ^ 16 K/min -; 200 0C; CAS no: 105544; Active phase: Carbowax 20M; Carrier gas: H2; Data type: Kovats RI; Authors: Garruti, D.S.; Franco, M.R.B.; da Silva, M.A.A.A.P.; Janzantti, N.S.; Alves, G.L., Compostos volateis do sabor de pseudofrutos de cajueiro anao precoce (Anacardium occidentale L.) CCP-76, Boletim de Pesquisa e Desenvolvimento 4, Empresa Brasileira de Pesquisa Agropecuaria, Fortaleza, Brazil, 2001, 29.) NIST Spectra nist ri

1058 (Program type: Ramp; Column cl… (show more) ass: Standard polar; Column diameter: 0.25 mm; Column length: 60 m; Column type: Capillary; Heat rate: 3 K/min; Start T: 35 C; End T: 200 C; End time: 20 min; Start time: 5 min; CAS no: 105544; Active phase: Supelcowax-10; Carrier gas: He; Data type: Kovats RI; Authors: Wong, K.C.; Teng, Y.E., Volatile Components of Mimusops elengi L. Flowers, J. Essent. Oil Res., 6, 1994, 453-458.) NIST Spectra nist ri

1057 (Program type: Ramp; Column cl… (show more) ass: Standard polar; Column diameter: 0.32 mm; Column length: 25 m; Column type: Capillary; Heat rate: 4 K/min; Start T: 70 C; End T: 200 C; Start time: 2 min; CAS no: 105544; Active phase: BP-20; Data type: Kovats RI; Authors: Wyllie, S.G.; Leach, D.N., Aroma volatiles of Cucumis melo cv. golden crispy, J. Agric. Food Chem., 38, 1990, 2042-2044.) NIST Spectra nist ri

1010 (Program type: Ramp; Column cl… (show more) ass: Standard polar; Column diameter: 0.22 mm; Column length: 50 m; Column type: Capillary; Heat rate: 2 K/min; Start T: 80 C; End T: 200 C; CAS no: 105544; Active phase: Carbowax 20M; Data type: Kovats RI; Authors: Nishimura, O.; Yamaguchi, K.; Mihara, S.; Shibamoto, T., Volatile Constituents of Guava Fruits (Psidium guajava L.) and Canned Puree, J. Agric. Food Chem., 37(1), 1989, 139-142.) NIST Spectra nist ri

1044 (Program type: Ramp; Column cl… (show more) ass: Standard polar; Column diameter: 0.25 mm; Column length: 30 m; Column type: Capillary; Heat rate: 2 K/min; Start T: 60 C; End T: 200 C; Start time: 10 min; CAS no: 105544; Active phase: DB-Wax; Carrier gas: N2; Data type: Kovats RI; Authors: Umano, K.; Shoji, A.; Hagi, Y.; Shibamoto, T., Volatile constituents of peel of quince fruit, Cydonia oblonga Miller, J. Agric. Food Chem., 34(4), 1986, 593-596.) NIST Spectra nist ri

1025 (Program type: Isothermal; Col… (show more) umn class: Standard polar; Column diameter: 0.32 mm; Column length: 25 m; Column type: Capillary; Start T: 120 C; CAS no: 105544; Active phase: OV-351; Carrier gas: N2; Data type: Kovats RI; Authors: 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., 329, 1985, 43-56.) NIST Spectra nist ri

1051 (Program type: Isothermal; Col… (show more) umn class: Standard polar; Column diameter: 0.32 mm; Column length: 25 m; Column type: Capillary; Start T: 140 C; CAS no: 105544; Active phase: OV-351; Carrier gas: N2; Data type: Kovats RI; Authors: 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., 329, 1985, 43-56.) NIST Spectra nist ri

1040 (Program type: Ramp; Column cl… (show more) ass: Standard polar; Column diameter: 0.64 mm; Column length: 150 m; Column type: Capillary; Heat rate: 1 K/min; Start T: 50 C; End T: 170 C; CAS no: 105544; Active phase: Carbowax 20M; Carrier gas: He; Data type: Kovats RI; Authors: Buttery, R.G.; Seifert, R.M.; Ling, L.C.; Soderstrom, E.L.; Ogawa, J.M.; Turnbaugh, J.G., Additional aroma components of honeydew melon, J. Agric. Food Chem., 30, 1982, 1208-1211.) NIST Spectra nist ri

1054 (Program type: Isothermal; Col… (show more) umn class: Standard polar; Column length: 2 m; Column type: Packed; Start T: 75 C; CAS no: 105544; Active phase: Carbowax 20M; Carrier gas: N2; Substrate: Kieselgur (60-100 mesh); Data type: Kovats RI; Authors: Goebel, K.-J., Gaschromatographische Identifizierung Niedrig Siedender Substanzen Mittels Retentionsindices und Rechnerhilfe, J. Chromatogr., 235, 1982, 119-127.) NIST Spectra nist ri

1043 (Program type: Ramp; Column cl… (show more) ass: Standard polar; Column type: Capillary; CAS no: 105544; Active phase: Carbowax 20M; Data type: Kovats RI; Authors: Brander, C.F.; Kepner, R.E.; Webb, A.D., Identification of Some Volatile Compounds of Wine of Vitis Vinifera Cultivar Pinot Noir, Am. J. Enol. Vitic, 31(1), 1980, 69-75.) NIST Spectra nist ri

1045 (Program type: Isothermal; Col… (show more) umn class: Standard polar; Column length: 2 m; Column type: Packed; Start T: 100 C; CAS no: 105544; Active phase: Carbowax 20M; Substrate: Chromosorb W; Data type: Kovats RI; Authors: Zarazir, D.; Chovin, P.; Guiochon, G., Identification of hydroxylic compounds and their derivatives by gas chromatography, Chromatographia, 3, 1970, 180-195., Program type: Ramp; Column cl… (show more) ass: Standard polar; Column type: Capillary; CAS no: 105544; Active phase: Carbowax 20M; Data type: Kovats RI; Authors: Brander, C.F.; Kepner, R.E.; Webb, A.D., Identification of Some Volatile Compounds of Wine of Vitis Vinifera Cultivar Pinot Noir, Am. J. Enol. Vitic, 31(1), 1980, 69-75.) NIST Spectra nist ri

1005 (Program type: Isothermal; Col… (show more) umn class: Standard polar; Column type: Packed; CAS no: 105544; Active phase: Carbowax 20M; Substrate: Chromosorb; Data type: Kovats RI; Authors: Kevei, E.; Kozma, E., Gaschromatographische Untersuchungsmethoden zur Aromaprufung in gekochtem Schweinefleisch (M. semimembranosus), Nahrung, 20(3), 1976, 243-252.) NIST Spectra nist ri

1008 (Program type: Isothermal; Col… (show more) umn class: Standard polar; Column type: Packed; Start T: 100 C; CAS no: 105544; Active phase: Carbowax 20M; Substrate: Chromosorb; Data type: Kovats RI; Authors: Kevei, E.; Kozma, E., Gaschromatographische Untersuchungsmethoden zur Aromaprufung in gekochtem Schweinefleisch (M. semimembranosus), Nahrung, 20(3), 1976, 243-252.) NIST Spectra nist ri

1032 (Program type: Isothermal; Col… (show more) umn class: Standard polar; Column length: 3 m; Column type: Packed; Start T: 100 C; CAS no: 105544; Active phase: Carbowax 20M; Substrate: Chromosorb WAW (60-80 mesh); Data type: Kovats RI; Authors: Chastrette, M.; Heintz, M.; Druilhe, A.; Lefort, D., Analyse chromatographique d’esters aliphatiques satures. Relations retention-structure et prevision de la retention, Bull. Soc. Chim. Fr., , 1974, 1852-1856., Program type: Isothermal; Col… (show more) umn class: Standard polar; Column type: Packed; Start T: 125 C; CAS no: 105544; Active phase: Carbowax 20M; Substrate: Celite 545; Data type: Kovats RI; Authors: van den Dool, H.; Kratz, P. Dec., A generalization of the retention index system including linear temperature programmed gas-liquid partition chromatography, J. Chromatogr., 11, 1963, 463-471.) NIST Spectra nist ri

Retention Index (Normal Alkane):

774 (Program type: Complex; Column… (show more) class: Standard non-polar; Column diameter: 0.32 mm; Column length: 50 m; Column type: Capillary; Description: 36 0C ^ 20 0C/min -> 85 0C ^ 1 iC/min -> 145 0C ^ 3 0C/min -> 250 0C; CAS no: 105544; Active phase: CP-Sil 5 CB; Carrier gas: Nitrogen; Phase thickness: 1.2 um; Data type: Normal alkane RI; Authors: Callamien, D.; Dasnoy, S.; Heynen, O.; Badot, C.; Collin, S., Flavour stability of lager beer: identification of a new key staling compounds, Eur. Brewery Convention, 91, 2005, 815-822., Program type: Complex; Column… (show more) class: Standard non-polar; Column diameter: 0.32 mm; Column length: 50 m; Column type: Capillary; Description: 36C=>20C/min =>85C =>1C/min =>145C =>3C/min =>250C(30min); CAS no: 105544; Active phase: CP-Sil5 CB MS; Carrier gas: N2; Phase thickness: 1.2 um; Data type: Normal alkane RI; Authors: Callemien, D.; Dasnoy, S.; Collin, S., Identification of a stale-beer-like odorant in extracts of naturally aged beer, J. Agric. Food Chem., 54, 2006, 1409-1413., Program type: Complex; Column… (show more) class: Standard non-polar; Column diameter: 0.32 mm; Column length: 50 m; Column type: Capillary; Description: 36C=>20C/min=>120C(20min)=>2C/min=>250C(30min); CAS no: 105544; Active phase: CP Sil 5 CB; Phase thickness: 1.2 um; Data type: Normal alkane RI; Authors: Lermusieau, G.; Bulens, M.; Collin, S., Use of GC-olfactometry to identify the hop aromatic compounds in beer, J. Agric. Food Chem., 49, 2001, 3867-3874., Program type: Ramp; Column cl… (show more) ass: Standard non-polar; Column diameter: 0.25 mm; Column length: 30 m; Column type: Capillary; Heat rate: 5 K/min; Start T: 30 C; End T: 210 C; CAS no: 105544; Active phase: DB-1; Carrier gas: He; Phase thickness: 0.25 um; Data type: Normal alkane RI; Authors: Kumazawa, K.; Itobe, T.; Nishimura, O.; Hamaguchi, T., A new approach to estimate the in-mouth release characteristics of odorants in chewing gum, Food Science and Technology Research, 14(3), 2008, 269-276.) NIST Spectra nist ri

800 (Program type: Complex; Column… (show more) class: Semi-standard non-polar; Column diameter: 0.25 mm; Column length: 30 m; Column type: Capillary; Description: 30C(3min) => 5C/min => 80C=>4C/min =>95C=> 5C/min =>115C=> 10C/min =>200C; CAS no: 105544; Active phase: SPB-5; Carrier gas: He; Phase thickness: 0.25 um; Data type: Normal alkane RI; Authors: Crook, L.R.; Boylston, T.D.; Glatz, B.A., Effect of gas environment and sorbate addition on flavor characteristics of irradiated apple cider during storage, J. Agric. Food Chem., 52, 2004, 6997-7004., Program type: Complex; Column… (show more) class: Semi-standard non-polar; Column diameter: 0.25 mm; Column length: 30 m; Column type: Capillary; Description: 40C (6min) => 2.5C/min => 150C => 90C/min => 250C; CAS no: 105544; Active phase: HP-5; Phase thickness: 0.25 um; Data type: Normal alkane RI; Authors: Jordan, M.J.; Margaria, C.A.; Shaw, P.E.; Goodner, K.L., Aroma active components in aqueous kiwi fruit essence and kiwi fruit puree by GC-MS and multidimensional GC/GC-O, J. Agric. Food Chem., 50, 2002, 5386-5390., Program type: Complex; Column… (show more) class: Semi-standard non-polar; Column diameter: 0.32 mm; Column length: 30 m; Column type: Capillary; Description: 40 C (5min) => 2C/min =>120C => 10 C/min => 210 C (30min); CAS no: 105544; Active phase: MFE-73; Carrier gas: H2; Phase thickness: 0.1 um; Data type: Normal alkane RI; Authors: Ferreira, V.; Aznar, M.; Lopez, R.; Cacho, J., Quantitative gas chromatography-olfactometry carried out at different dilutions