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Thiophene, 3,4-dimethyl-


Phase change data

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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 as indicated in comments:
BS - Robert L. Brown and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos

Quantity Value Units Method Reference Comment
Tboil418.2KN/AWeast and Grasselli, 1989BS

Enthalpy of vaporization

DeltavapH (kcal/mol) Temperature (K) Method Reference Comment
9.82343.AStephenson and Malanowski, 1987Based on data from 328. - 478. K. See also Dykyj, 1972 and Dykyj, Svoboda, et al., 1999.; AC

Gas phase ion energetics data

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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 as indicated in comments:
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard

Ionization energy determinations

IE (eV) Method Reference Comment
8.55PEBock and Roth, 1983Vertical value; LBLHLM

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

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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 Dr. Jiri Zamecnik, DCIEM, North York, Canada, GP Library
NIST MS number 122089

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.


UV/Visible 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: Victor Talrose, Alexander N. Yermakov, Alexy A. Usov, Antonina A. Goncharova, Axlexander N. Leskin, Natalia A. Messineva, Natalia V. Trusova, Margarita V. Efimkina

Spectrum

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UVVis spectrum
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Additional Data

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Source Bol'shakov, et al., 1969
Owner INEP CP RAS, NIST OSRD
Collection (C) 2007 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin INSTITUTE OF ENERGY PROBLEMS OF CHEMICAL PHYSICS, RAS
Source reference RAS UV No. 20134
Instrument unknown
Boiling point 145

Gas Chromatography

Go To: Top, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), UV/Visible spectrum, 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

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

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Column type Active phase I Reference Comment
CapillaryBPX-5890.Bredie, Mottram, et al., 200250. m/0.32 mm/0.5 «mu»m, 60. C @ 5. min, 4. K/min, 250. C @ 20. min
CapillaryBP-5887.Whitfield and Mottram, 20014. K/min; Column length: 50. m; Column diameter: 0.32 mm; Tstart: 60. C; Tend: 250. C
CapillaryUltra-1883.5Farkas, Hradský, et al., 199225. m/0.2 mm/0.33 «mu»m, H2, 2. K/min; Tstart: 60. C; Tend: 230. C
CapillaryHP-1885.Kuo and Ho, 199250. m/0.32 mm/1.05 «mu»m, He, 2. K/min; Tstart: 40. C; Tend: 260. C
CapillaryHP-1898.Kuo and Ho, 1992, 250. m/0.32 mm/1.05 «mu»m, He, 2. K/min; Tstart: 40. C; Tend: 260. C
CapillaryOV-1888.Schreyen, Dirinck, et al., 19761. K/min; Column length: 183. m; Column diameter: 0.762 mm; Tstart: 0. C; Tend: 230. C
CapillaryOV-1887.Schreyen, Dirinck, et al., 1976, 2N2, 1. K/min; Column length: 183. m; Tstart: 0. C; Tend: 230. C

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

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Column type Active phase I Reference Comment
CapillaryHP-5MS908.1Andriamaharavo, 201430. m/0.25 mm/0.25 «mu»m, He; Program: 60C (1 min) => 5 C/min => 210C => 10 C/min => 280C (15 min)

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

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Column type Active phase I Reference Comment
CapillaryDB-Wax1250.Aromdee and Sriubolmas, 200630. m/0.25 mm/0.25 «mu»m, He, 40. C @ 5. min, 3. K/min, 250. C @ 10. min
CapillaryDB-Wax1253.Nielsen, Larsen, et al., 200430. m/0.25 mm/0.25 «mu»m, He, 45. C @ 10. min, 6. K/min, 240. C @ 30. min
CapillaryDB-Wax1253.Nielsen, Larsen, et al., 2004, 230. m/0.25 mm/0.25 «mu»m, He, 45. C @ 10. min, 6. K/min, 240. C @ 30. min
CapillaryDB-Wax1253.Nielsen, Larsen, et al., 2004, 230. m/0.25 mm/0.25 «mu»m, He, 45. C @ 10. min, 6. K/min, 240. C @ 30. min
CapillaryDB-Wax1240.Nielsen and Poll, 200430. m/0.25 mm/0.25 «mu»m, He, 45. C @ 10. min, 3. K/min, 240. C @ 30. min

Normal alkane RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryPONA889.Yang, Wang, et al., 200450. m/0.20 mm/0.50 «mu»m, N2, 2. K/min; Tstart: 35. C; Tend: 170. C
CapillaryPONA882.Yang, Wang, et al., 200350. m/0.20 mm/0.50 «mu»m, 2. K/min; Tstart: 30. C; Tend: 150. C
CapillaryDB-1867.Hanum, Sinha, et al., 199530. m/0.25 mm/0.25 «mu»m, He, 5. K/min; Tstart: 35. C; Tend: 150. C
CapillaryDB-5888.Sinha, Guyer, et al., 1992He, 2. K/min; Column length: 30. m; Column diameter: 0.2 mm; Tstart: 30. C; Tend: 200. C
CapillaryCP-Sil 5882.Damste, van Dalen, et al., 198825. m/0.32 mm/0.45 «mu»m, Helium, 0. C @ 5. min, 3. K/min; Tend: 300. C
CapillaryCP-Sil 5883.Damste, van Dalen, et al., 198825. m/0.32 mm/0.45 «mu»m, Helium, 0. C @ 5. min, 3. K/min; Tend: 300. C
CapillaryCP Sil 5 CB882.Damste, Kock-van Dalen, et al., 198825. m/0.32 mm/0.45 «mu»m, He, 3. K/min; Tstart: 50. C; Tend: 300. C
CapillaryCP Sil 5 CB883.Damste, Kock-van Dalen, et al., 198825. m/0.32 mm/0.45 «mu»m, He, 3. K/min; Tstart: 50. C; Tend: 300. C

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

View large format table.

Column type Active phase I Reference Comment
CapillaryVF-5889.Shivashankar, Roy, et al., 201230. m/0.25 mm/0.25 «mu»m, Helium; Program: 50 0C (2 min) 3 0C/min -> 200 0C (3 min) 10 0C/min -> 220 0C (8 min)
CapillaryVF-5888.Shivashankar, Roy, et al., 201230. m/0.25 mm/0.25 «mu»m, Helium; Program: not specified
CapillaryHP-5 MS881.Grzeszczuk, Wesolowska, et al., 201130. m/0.25 mm/0.25 «mu»m, Helium; Program: 40 0C (5 min) 30 0C/min -> 60 0C 6 0C/min -> 230 0C (10 min)
CapillaryHP-5881.Rotsatschakul, Visesanguan, et al., 200960. m/0.25 mm/0.25 «mu»m, Helium; Program: 30 0C (2 min) 2 0Cmin -> 60 0C 10 0C/min -> 100 0C 20 0C/min -> 140 0C 10 0C/min -> 200 0C (10 min)
CapillaryPONA885.Yang, Wang, et al., 200350. m/0.20 mm/0.50 «mu»m; Program: not specified

References

Go To: Top, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), UV/Visible spectrum, Gas Chromatography, Notes

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

Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [all data]

Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw, Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2 . [all data]

Dykyj, 1972
Dykyj, J., Petrochemia, 1972, 12, 1, 13. [all data]

Dykyj, Svoboda, et al., 1999
Dykyj, J.; Svoboda, J.; Wilhoit, R.C.; Frenkel, M.L.; Hall, K.R., Vapor Pressure of Chemicals: Part A. Vapor Pressure and Antoine Constants for Hydrocarbons and Sulfur, Selenium, Tellurium and Hydrogen Containing Organic Compounds, Springer, Berlin, 1999, 373. [all data]

Bock and Roth, 1983
Bock, H.; Roth, B., Radical ions. 49. Redox reactions of some thiophene derivatives, Phosphorus Sulfur, 1983, 14, 211. [all data]

Bol'shakov, et al., 1969
Bol'shakov, G.F., et al., Ultraviolet spectra of heteroorganic compounds, 1969, 131. [all data]

Bredie, Mottram, et al., 2002
Bredie, W.L.P.; Mottram, D.S.; Guy, R.C.E., Effect of temperature and pH on the generation of flavor volatiles in extrusion cooking of wheat flour, J. Agric. Food Chem., 2002, 50, 5, 1118-1125, https://doi.org/10.1021/jf0111662 . [all data]

Whitfield and Mottram, 2001
Whitfield, F.B.; Mottram, D.S., Heterocyclic volatiles formed by heating cysteine or hydrogen sulfide with 4-hydroxy-5-methyl-3(2H)-furanone at pH 6.5, J. Agric. Food Chem., 2001, 49, 2, 816-822, https://doi.org/10.1021/jf0008644 . [all data]

Farkas, Hradský, et al., 1992
Farkas, P.; Hradský, P.; Kovác, M., Novel flavour components identified in the steamn distillate of onion (Allium cepa L.), Z. Lebensm. Unters. Forsch., 1992, 195, 5, 459-462, https://doi.org/10.1007/BF01191718 . [all data]

Kuo and Ho, 1992
Kuo, M.-C.; Ho, C.-T., Volatile constituents of the distilled oils of Welsh onions (Allium fistulosum L. variety Maichuon) and scallions (Allium fistulosum L. variety Caespitosum), J. Agric. Food Chem., 1992, 40, 1, 111-117, https://doi.org/10.1021/jf00013a021 . [all data]

Kuo and Ho, 1992, 2
Kuo, M.-C.; Ho, C.-T., Volatile constituents of the solvent extracts of Welsh onions (Allium fistulosum L. variety Maichuon) and scallions (A. fistulosum L. variety caepitosum), J. Agric. Food Chem., 1992, 40, 10, 1906-1910, https://doi.org/10.1021/jf00022a036 . [all data]

Schreyen, Dirinck, et al., 1976
Schreyen, L.; Dirinck, P.; van Wassenhove, F.; Schamp, N., Analysis of leek volatiles by headspace condensation, J. Agric. Food Chem., 1976, 24, 6, 1147-1152, https://doi.org/10.1021/jf60208a023 . [all data]

Schreyen, Dirinck, et al., 1976, 2
Schreyen, L.; Dirinck, P.; van Wassenhove, F.; Schamp, N., Volatile flavor components of leek, J. Agric. Food Chem., 1976, 24, 2, 336-341, https://doi.org/10.1021/jf60204a056 . [all data]

Andriamaharavo, 2014
Andriamaharavo, N.R., Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2014. [all data]

Aromdee and Sriubolmas, 2006
Aromdee, C.; Sriubolmas, N., Essential oil of the flowers of Azadirachta indica (Meliaceae), Songklanakarin J. Sci. Technol., 2006, 28, 1, 115-119. [all data]

Nielsen, Larsen, et al., 2004
Nielsen, G.S.; Larsen, L.M.; Poll, L., Formation of aroma compounds during long-term frozen storage of unblanched leek (Allium ampeloprasum Var. Bulga) as affected by packaging atmosphere and slice thickness, J. Agric. Food Chem., 2004, 52, 5, 1234-1240, https://doi.org/10.1021/jf0306183 . [all data]

Nielsen, Larsen, et al., 2004, 2
Nielsen, G.S.; Larsen, L.M.; Poll, L., Impact of blanching and packaging atmosphere on the formation of aroma compounds during long-term frozen storage of leek (Allium ampeloprasum Var. Bulga) slices, J. Agric. Food Chem., 2004, 52, 15, 4844-4852, https://doi.org/10.1021/jf049623c . [all data]

Nielsen and Poll, 2004
Nielsen, G.S.; Poll, L., Determination of odor active aroma compounds in freshly cut leek (Allium ampeloprasum Var. Bulga) and in long-term stored frozen unblanched and blanched leek slices by gas chromatography olfactometry analysis, J. Agric. Food Chem., 2004, 52, 6, 1642-1646, https://doi.org/10.1021/jf030682k . [all data]

Yang, Wang, et al., 2004
Yang, Y.; Wang, Z.; Zong, B.; Yang, H., Determination of sulfur compounds in fluid catalytic cracking gasoline by gas chromatography with a sulfur chemiluminiscence detector, Chin. J. Chromatogr., 2004, 22, 3, 216-219. [all data]

Yang, Wang, et al., 2003
Yang, Y.-T.; Wang, Z.; Han. J.-H.; Tian, H.-P.; Yang, H.-Y., Determination of sulfur compounds in gasoline fraction of microreactor products by gas chromatography - Atomic emission detector, Petrochemical Technology (Shiyou Huagong), 2003, 32, 11, 995-998. [all data]

Hanum, Sinha, et al., 1995
Hanum, T.; Sinha, N.K.; Guyer, D.E.; Cash, J.N., Pyruvate and flavor development in macerated onions (Allium cepa L.) by «gamma»-glutamyl transpeptidase and exogenous C-S lyase, Food Chem., 1995, 54, 2, 183-188, https://doi.org/10.1016/0308-8146(95)00027-G . [all data]

Sinha, Guyer, et al., 1992
Sinha, N.K.; Guyer, D.E.; Gage, D.A.; Lira, C.T., Supercritical carbon dioxide extraction of onion flavors and their analysis by gas chromatography-mass spectrometry, J. Agric. Food Chem., 1992, 40, 5, 842-845, https://doi.org/10.1021/jf00017a027 . [all data]

Damste, van Dalen, et al., 1988
Damste, J.S.S.; van Dalen, A.C.K.; de Leeuw, J.W.; Schenck, P.A., Identification of homologous series of alkylated thiophenes, thiolanes, thianes and benzothiophenes present in pyrolisates of sulfur-rich kerogenes, J. Chromatogr., 1988, 435, 435-452, https://doi.org/10.1016/S0021-9673(01)82208-1 . [all data]

Damste, Kock-van Dalen, et al., 1988
Damste, J.S.S.; Kock-van Dalen, A.C.; de Leeuw, J.W.; Schenk, P.A., Identification of homologous series of alkylated thiophenes, thiolanes, thianes and benzothiophenes present in pyrolysates of sulphur-rich kerogens, J. Chromatogr., 1988, 435, 435-452, https://doi.org/10.1016/S0021-9673(01)82208-1 . [all data]

Shivashankar, Roy, et al., 2012
Shivashankar, S.; Roy, T.K.; Moorthy, P.N.R., Headspace solid phase micro extraction and GC/MS analysis of the volatile components in seed and cake of Azadirachta indica A. juss, Chem. Bull. of Politechnika Univ. Timisoara, Romania, 2012, 57(71), 1, 1-6. [all data]

Grzeszczuk, Wesolowska, et al., 2011
Grzeszczuk, M.; Wesolowska, A.; Jadczak, D.; Jakubowska, B., Nutritional value of Chili edible flowers, Acta Sci. Pol. Hortorum Cultus, 2011, 10, 2, 85-94. [all data]

Rotsatschakul, Visesanguan, et al., 2009
Rotsatschakul, P.; Visesanguan, W.; Smitinont, T.; Chaiseri, S., Changes in volatile compounds during fermentation of nham (Thai fermented sausage), Int. Food Res. J., 2009, 16, 391-414. [all data]


Notes

Go To: Top, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), UV/Visible spectrum, Gas Chromatography, References