Diallyl sulfide

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IR 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: NIST Mass Spectrometry Data Center, William E. Wallace, director

Gas Phase Spectrum

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Additional Data

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Owner NIST Standard Reference Data Program
Collection (C) 2018 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin Sadtler Research Labs Under US-EPA Contract
State gas

This IR spectrum is from the NIST/EPA Gas-Phase Infrared Database .


Gas Chromatography

Go To: Top, IR 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

Kovats' RI, non-polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
CapillaryDB-5100.864.6Miller and Bruno, 200330. m/0.25 mm/0.1 μm
CapillaryDB-5120.871.6Miller and Bruno, 200330. m/0.25 mm/0.1 μm
CapillaryDB-560.856.2Miller and Bruno, 200330. m/0.25 mm/0.1 μm
CapillaryDB-580.860.3Miller and Bruno, 200330. m/0.25 mm/0.1 μm
PackedApiezon M130.854.Garbuzov, Misharina, et al., 1985He or N2, Chromosorb W, AW-DMCS; Column length: 2.1 m
PackedApiezon M130.854.Golovnya, Misharina, et al., 1978Chromosorb W, AW-DMCS; Column length: 2.1 m

Kovats' RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillarySE-54850.Zoghbi, Ramos, et al., 198430. m/0.25 mm/0.25 μm, He, 50. C @ 3. min, 4. K/min; Tend: 230. C

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

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Column type Active phase I Reference Comment
CapillaryDB-5862.Mahattanatawee K., Perez-Cacho P.R., et al., 200730. m/0.32 mm/0.5 μm, He, 7. K/min, 265. C @ 5. min; Tstart: 40. C
CapillaryDB-1850.Pino, Fuentes, et al., 2001He, 60. C @ 4. min, 4. K/min; Column length: 30. m; Column diameter: 0.32 mm; Tend: 250. C
CapillaryDB-5871.Kim, Wu, et al., 1995He, 40. C @ 10. min, 4. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 200. C
CapillaryDB-1850.Yu, Lin, et al., 199460. m/0.25 mm/1.0 μm, He, 40. C @ 5. min, 2. K/min, 260. C @ 60. min

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

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Column type Active phase I Reference Comment
CapillaryHP-5MS858.8Andriamaharavo, 201430. m/0.25 mm/0.25 μm, He; Program: 60C (1 min) => 5 C/min => 210C => 10 C/min => 280C (15 min)
CapillarySPB-1835.Mochizuki, Yamamoto, et al., 199830. m/0.32 mm/4.0 μm, N2; Program: 40 0C (10 min), 2 0C/min to 180 0C, 25 0C/min to 250 0C (5 min)

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

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Column type Active phase I Reference Comment
CapillaryDB-Wax1148.Mahattanatawee K., Perez-Cacho P.R., et al., 200730. m/0.32 mm/0.5 μm, He, 7. K/min, 240. C @ 5. min; Tstart: 40. C
CapillaryFFAP1145.Calvo-Gómez, Morales-López, et al., 200430. m/0.25 mm/0.25 μm, He, 40. C @ 3. min, 5. K/min; Tend: 220. C
CapillaryHP-Innowax1177.Storsberg, Schulz, et al., 200460. m/0.25 mm/0.5 μm, H2, 10. K/min; Tstart: 35. C; Tend: 220. C
CapillaryCarbowax1147.Edris and Fadel, 2002He, 2. K/min; Column length: 60. m; Column diameter: 0.32 mm; Tstart: 50. C; Tend: 200. C
CapillaryDB-Wax1143.Cha, Kim, et al., 199860. m/0.25 mm/0.25 μm, 40. C @ 5. min, 3. K/min, 200. C @ 60. min
CapillaryCP-Wax 52CB1151.Kim, Wu, et al., 1995, 2N2, 60. C @ 4. min, 2. K/min, 200. C @ 30. min; Column length: 50. m; Column diameter: 0.25 mm
CapillaryCP-Wax 52CB1149.Kim, Wu, et al., 1995, 2N2, 60. C @ 4. min, 2. K/min, 200. C @ 30. min; Column length: 50. m; Column diameter: 0.25 mm
CapillaryCP-Wax 52CB1118.Yu, Wu, et al., 199350. m/0.32 mm/0.25 μm, H2, 40. C @ 10. min, 1.5 K/min, 200. C @ 60. min
CapillaryCP-Wax 52CB1148.Yu, Wu, et al., 1989N2, 2. K/min; Column length: 50. m; Column diameter: 0.22 mm; Tstart: 50. C; Tend: 200. C
CapillaryCP-Wax 52CB1148.Yu, Wu, et al., 1989, 2N2, 2. K/min; Column length: 50. m; Column diameter: 0.22 mm; Tstart: 50. C; Tend: 200. C
CapillaryCP-Wax 52CB1148.Yu and Wu, 1989N2, 2. K/min; Column length: 50. m; Column diameter: 0.22 mm; Tstart: 50. C; Tend: 200. C

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

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Column type Active phase I Reference Comment
CapillarySupelcowax-101150.Bianchi, Cantoni, et al., 200730. m/0.25 mm/0.25 μm; Program: 35C(8min) => 4C/min => 60C => 6C/min => 160C => 20C/min => 220C(1min)
CapillarySupelcowax-101150.Bianchi, Careri, et al., 200730. m/0.25 mm/0.25 μm, He; Program: 35C(8min) => 4C/min => 60C => 6C/min => 160C => 20C/min => 200C(1min)
CapillarySupelcowax-101143.Bianchi, Careri, et al., 200730. m/0.25 mm/0.25 μm, He; Program: 35C(8min) => 4C/min => 60C => 6C/min => 160C => 20C/min => 200C(1min)

Normal alkane RI, non-polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
CapillaryPolydimethyl siloxane with 5 % Ph groups100.865.Safa and Hadjmohannadi, 200530. m/0.25 mm/0.10 μm, Nitrogen
CapillaryPolydimethyl siloxane with 5 % Ph groups60.856.Safa and Hadjmohannadi, 200530. m/0.25 mm/0.10 μm, Nitrogen
CapillaryPolydimethyl siloxane with 5 % Ph groups80.860.Safa and Hadjmohannadi, 200530. m/0.25 mm/0.10 μm, Nitrogen

Normal alkane RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
Capillary5 % Phenyl methyl siloxane864.Ramirez R. and Cava R., 200730. m/0.25 mm/1. μm, He, 40. C @ 10. min, 7. K/min, 250. C @ 5. min
CapillarySPB-1850.Rao, Nagender, et al., 200730. m/0.32 mm/0.25 μm, Helium, 40. C @ 2. min, 2. K/min; Tend: 220. C
CapillaryHP-5861.Kubec, Velísek, et al., 199730. m/0.25 mm/0.25 μm, N2, 40. C @ 3. min, 4. K/min, 240. C @ 10. min
CapillaryHP-1838.Lopes, Godoy, et al., 199725. m/0.32 mm/0.17 μm, H2, 5. K/min; Tstart: 40. C; Tend: 200. C
CapillaryDB-1872.Hanum, Sinha, et al., 199530. m/0.25 mm/0.25 μm, He, 5. K/min; Tstart: 35. C; Tend: 150. C
CapillaryDB-1852.Yu, Wu, et al., 199460. m/0.25 mm/1.0 μm, He, 40. C @ 5. min, 2. K/min, 260. C @ 60. min
CapillaryDB-1852.Yu, Wu, et al., 1994, 260. m/0.25 mm/1. μm, He, 40. C @ 5. min, 2. K/min, 260. C @ 60. min
CapillaryDB-1849.Yu, Wu, et al., 1994, 360. m/0.25 mm/1. μm, He, 40. C @ 5. min, 2. K/min, 260. C @ 60. min

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

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Column type Active phase I Reference Comment
CapillarySPB-1854.Rao, Nagender, et al., 200730. m/0.32 mm/0.25 μm, Helium; Program: not specified
CapillaryHP-5 MS831.Pyun and Shin, 200630. m/0.25 mm/0.25 μm; Program: 40 0C (3 min) 2 0C/min -> 150 0C 20 0C/min -> 220 0C (5 min)
CapillarySE-30854.Vinogradov, 2004Program: not specified
CapillaryHP-5MS848.Ansorena, Gimeno, et al., 200130. m/0.25 mm/0.25 μm, He; Program: 40C (10min) => 3C/min => 120C => 10C/min => 250C (5min)
CapillaryHP-5848.Ansorena, Astiasarán, et al., 200030. m/0.25 mm/0.25 μm, He; Program: 40C (10min) => 3C/min => 120C => 10C/min => 250C (5min)
CapillaryCP Sil 5 CB848.Gijs, Piraprez, et al., 200050. m/0.32 mm/1.2 μm, He; Program: 33C (16.5min) => 2C/min => 160C => 20C/min => 200C (9min)
CapillaryDB-5867.Mateo and Zumalacárregui, 199650. m/0.32 mm/0.25 μm, He; Program: 40C (10min) => 3C/min => 95C => 10C/min => 270C (10min)
CapillaryDB-5865.Mateo and Zumalacárregui, 199650. m/0.32 mm/0.25 μm, He; Program: 40C (10min) => 3C/min => 95C => 10C/min => 270C (10min)
CapillaryDB-5863.Mateo and Zumalacárregui, 199650. m/0.32 mm/0.25 μm, He; Program: 40C (10min) => 3C/min => 95C => 10C/min => 270C (10min)

Normal alkane RI, polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryDB-Wax1143.Chyau and Mau, 199960. m/0.25 mm/0.25 μm, N2, 3. K/min; Tstart: 40. C; Tend: 210. C
CapillaryDB-Wax1118.Chen and Ho, 1998He, 4. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tstart: 50. C; Tend: 220. C
CapillaryHP-Innowax1164.Kubec, Velísek, et al., 199730. m/0.25 mm/0.5 μm, N2, 40. C @ 3. min, 4. K/min; Tend: 190. C

Normal alkane RI, polar column, custom temperature program

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Column type Active phase I Reference Comment
CapillaryCarbowax 20M1150.Vinogradov, 2004Program: not specified
CapillarySupelcowax-101142.Jung, Kim, et al., 2001Program: not specified
CapillaryDB-Wax1151.Peng, Yang, et al., 1991Program: not specified

References

Go To: Top, IR Spectrum, Gas Chromatography, Notes

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

Miller and Bruno, 2003
Miller, K.E.; Bruno, T.J., Isothermal Kováts retention indices of sulfur compounds on a poly(5% diphenyl-95% dimethylsiloxane) stationary phase, J. Chromatogr. A, 2003, 1007, 1-2, 117-125, https://doi.org/10.1016/S0021-9673(03)00958-0 . [all data]

Garbuzov, Misharina, et al., 1985
Garbuzov, V.G.; Misharina, T.A.; Aerov, A.F.; Golovnya, R.V., Gas chromatographic retention indices for sulphur(II)-containing organic substances, J. Anal. Chem. USSR (Engl. Transl.), 1985, 40, 4, 576-586. [all data]

Golovnya, Misharina, et al., 1978
Golovnya, R.V.; Misharina, T.A.; Garbuzov, V.G., Gas chromatographic characterization of sulfur-containing compounds. 4. The effect of unsaturated radicals on the retention indices of the vinyl, allyl, and propargyl alkyl sulfides, Izv. Akad. Nauk SSSR Ser. Khim., 1978, 11, 2266-2270. [all data]

Zoghbi, Ramos, et al., 1984
Zoghbi, M.G.B.; Ramos, L.S.; Maia, J.G.S.; da Silva, M.L.; Luz, A.I.R., Volatile sulfides of the Amazonian garlic bush, J. Agric. Food Chem., 1984, 32, 5, 1009-1010, https://doi.org/10.1021/jf00125a014 . [all data]

Mahattanatawee K., Perez-Cacho P.R., et al., 2007
Mahattanatawee K.; Perez-Cacho P.R.; Davenport T.; Rouseff R., Comparison of three lychee cultivar odor profiles using gas chromatography-olfactometry and gas chromatography-sulfur detection, J. Agric. Food Chem., 2007, 55, 5, 1939-1944, https://doi.org/10.1021/jf062925p . [all data]

Pino, Fuentes, et al., 2001
Pino, J.A.; Fuentes, V.; Correa, M.T., Volatile constituents of Chinese chive (Allium tuberosum Rottl. ex Sprengel) and Rakkyo (Allium chinense G. Don), J. Agric. Food Chem., 2001, 49, 3, 1328-1330, https://doi.org/10.1021/jf9907034 . [all data]

Kim, Wu, et al., 1995
Kim, S.M.; Wu, C.M.; Kobayashi, A.; Kubota, K.; Okumura, J., Volatile compounds in stir-fried garlic, J. Agric. Food Chem., 1995, 43, 11, 2951-2955, https://doi.org/10.1021/jf00059a033 . [all data]

Yu, Lin, et al., 1994
Yu, T.-H.; Lin, L.-Y.; Ho, C.-T., Volatile compounds of blanched, fried blanched, and baked blanched garlic slices, J. Agric. Food Chem., 1994, 42, 6, 1342-1347, https://doi.org/10.1021/jf00042a018 . [all data]

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

Mochizuki, Yamamoto, et al., 1998
Mochizuki, E.; Yamamoto, T.; Komiyama, Y.; Nakazawa, H., Identification of allium products using flame photometric detection gas chromatography and distribution patterns of volatile sulfur compounds, J. Agric. Food Chem., 1998, 46, 12, 5170-5176, https://doi.org/10.1021/jf9803076 . [all data]

Calvo-Gómez, Morales-López, et al., 2004
Calvo-Gómez, O.; Morales-López, J.; López, M.G., Solid-phase microextraction-gas chromatographic-mass spectrometric analysis of garlic oil obtained by hydrodistillation, J. Chromatogr. A, 2004, 1036, 1, 91-93, https://doi.org/10.1016/j.chroma.2004.02.072 . [all data]

Storsberg, Schulz, et al., 2004
Storsberg, J.; Schulz, H.; Keusgen, M.; Tannous, F.; Dehmer, K.J.; Joachim Keller, E.R., Chemical characterization of interspecific hybrids between Allium cepa L. and Allium kermesinum Rchb., J. Agric. Food Chem., 2004, 52, 17, 5499-5505, https://doi.org/10.1021/jf049684a . [all data]

Edris and Fadel, 2002
Edris, A.E.; Fadel, H.M., Investigation of the volatile aroma components of garlic leaves essential oil. Possibility of utilization to enrich garlic bulb oil, Eur. Food Res. Technol., 2002, 214, 2, 105-107, https://doi.org/10.1007/s00217-001-0429-2 . [all data]

Cha, Kim, et al., 1998
Cha, Y.J.; Kim, H.; Cadwallader, K.R., Aroma-active compounds in Kimchi during fermentation, J. Agric. Food Chem., 1998, 46, 5, 1944-1953, https://doi.org/10.1021/jf9706991 . [all data]

Kim, Wu, et al., 1995, 2
Kim, S.M.; Wu, C.M.; Kubota, K.; Kobayashi, A., Effect of soybean oil on garlic volatile compounds isoalted by distillation, J. Agric. Food Chem., 1995, 43, 2, 449-452, https://doi.org/10.1021/jf00050a036 . [all data]

Yu, Wu, et al., 1993
Yu, T.-H.; Wu, C.-M.; Ho, C.-T., Volatile compounds of deep-oil fried, microwave-heated, and oven-baked garlic slices, J. Agric. Food Chem., 1993, 41, 5, 800-805, https://doi.org/10.1021/jf00029a023 . [all data]

Yu, Wu, et al., 1989
Yu, T.-H.; Wu, C.-M.; Liou, Y.-C., Volatile compounds from garlic, J. Agric. Food Chem., 1989, 37, 3, 725-730, https://doi.org/10.1021/jf00087a032 . [all data]

Yu, Wu, et al., 1989, 2
Yu, T.-H.; Wu, C.-M.; Chen, S.-Y., Effects of pH adjustment and heat treatment on the stability and the formation of volatile compounds of garlic, J. Agric. Food Chem., 1989, 37, 3, 730-734, https://doi.org/10.1021/jf00087a033 . [all data]

Yu and Wu, 1989
Yu, T.-H.; Wu, C.-M., Stability of Allicin in Garlic Juice, J. Food Sci., 1989, 54, 4, 977-981, https://doi.org/10.1111/j.1365-2621.1989.tb07926.x . [all data]

Bianchi, Cantoni, et al., 2007
Bianchi, F.; Cantoni, C.; Careri, M.; Chiesa, L.; Musci, M.; Pinna, A., Characterization of the aromatic profile for the authentication and differentiation of typical Italian dry-sausages, Talanta, 2007, 72, 4, 1552-1563, https://doi.org/10.1016/j.talanta.2007.02.019 . [all data]

Bianchi, Careri, et al., 2007
Bianchi, F.; Careri, M.; Mangia, A.; Musci, M., Retention indices in the analysis of food aroma volatile compounds in temperature-programmed gas chromatography: Database creation and evaluation of precision and robustness, J. Sep. Sci., 2007, 39, 4, 563-572, https://doi.org/10.1002/jssc.200600393 . [all data]

Safa and Hadjmohannadi, 2005
Safa, F.; Hadjmohannadi, M.R., Use of topological indices of organic sulfur compounds in quantitative structure-retention relationship study, QSAR Comb. Sci., 2005, 24, 9, 1026-1032, https://doi.org/10.1002/qsar.200530008 . [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]

Rao, Nagender, et al., 2007
Rao, P.P.; Nagender, A.; Rao, L.J.; Rao, D.G., Studies on the effects of microwave drying and cabinet tray drying on the chemical composition of volatile oils of garlic powders, Eur. Food Res. Technol., 2007, 224, 6, 791-795, https://doi.org/10.1007/s00217-006-0364-3 . [all data]

Kubec, Velísek, et al., 1997
Kubec, R.; Velísek, J.; Dolezal, M.; Kubelka, V., Sulfur-containing volatiles arising by thermal degradation of alliin and deoxyalliin, J. Agric. Food Chem., 1997, 45, 9, 3580-3585, https://doi.org/10.1021/jf970071q . [all data]

Lopes, Godoy, et al., 1997
Lopes, D.; Godoy, R.L.O.; Goncalves, S.L.; Koketsu, M.; Oliveira, A.M., Sulphur constituents of the essential oil of Nira (Allium tuberosum Rottl.) cultivated in Brazil, Flavour Fragr. J., 1997, 12, 4, 237-239, https://doi.org/10.1002/(SICI)1099-1026(199707)12:4<237::AID-FFJ644>3.0.CO;2-9 . [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 γ-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]

Yu, Wu, et al., 1994
Yu, T.-H.; Wu, C.-M.; Ho, C.-T., Meat-like flavor generated from thermal interactions of glucose and alliin or deoxyalliin, J. Agric. Food Chem., 1994, 42, 4, 1005-1009, https://doi.org/10.1021/jf00040a032 . [all data]

Yu, Wu, et al., 1994, 2
Yu, T.-H.; Wu, C.-M.; Rosen, R.T.; Hartman, T.G.; Ho, C.-T., Volatile compounds in generated from thermal degradation of alliin and deoxyalliin in an aqueous solution, J. Agric. Food Chem., 1994, 42, 1, 146-153, https://doi.org/10.1021/jf00037a026 . [all data]

Yu, Wu, et al., 1994, 3
Yu, T.-H.; Wu, C.-M.; Ho, C.-T., Volatile compounds generated from the thermal interaction of glucose and alliin or deoxyalliin in propylene glycol, Food Chem., 1994, 51, 3, 281-286, https://doi.org/10.1016/0308-8146(94)90028-0 . [all data]

Pyun and Shin, 2006
Pyun, M.-S.; Shin, S., Antifungal effects of the volatile oils from Allium plants against Trichophyton species and synergism of the oils with ketoconazole, Phytomedicine, 2006, 13, 6, 394-400, https://doi.org/10.1016/j.phymed.2005.03.011 . [all data]

Vinogradov, 2004
Vinogradov, B.A., Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]

Ansorena, Gimeno, et al., 2001
Ansorena, D.; Gimeno, O.; Astiasarán, I.; Bello, J., Analysis of volatile compounds by GC-MS of a dry fermented sausage: chorizo de Pamplona, Food Res. Int., 2001, 34, 1, 67-75, https://doi.org/10.1016/S0963-9969(00)00133-2 . [all data]

Ansorena, Astiasarán, et al., 2000
Ansorena, D.; Astiasarán, I.; Bello, J., Influence of the simultaneous addition of the protease flavourzyme and the lipase novozyme 677BG on dry fermented sausage compounds extracted by SDE and analyzed by GC-MS, J. Agric. Food Chem., 2000, 48, 6, 2395-2400, https://doi.org/10.1021/jf990931y . [all data]

Gijs, Piraprez, et al., 2000
Gijs, L.; Piraprez, G.; Perpète, P.; Spinnler, E.; Collin, S., Retention of sulfur flavours by food matrix and determination of sensorial data independent of the medium composition, Food Chem., 2000, 69, 3, 319-330, https://doi.org/10.1016/S0956-7135(99)00111-5 . [all data]

Mateo and Zumalacárregui, 1996
Mateo, J.; Zumalacárregui, J.M., Volatile compounds in chorizo and their changes during ripening, Meat Sci., 1996, 44, 4, 255-273, https://doi.org/10.1016/S0309-1740(96)00028-9 . [all data]

Chyau and Mau, 1999
Chyau, C.-C.; Mau, J.-L., Release of volatile compounds from microwave heating of garlic juice with 2,4-decadienals, Food Chem., 1999, 64, 4, 531-535, https://doi.org/10.1016/S0308-8146(98)00162-9 . [all data]

Chen and Ho, 1998
Chen, C.-W.; Ho, C.-T., Thermal degradation of allyl isothiocyanate in aqueous solution, J. Agric. Food Chem., 1998, 46, 1, 220-223, https://doi.org/10.1021/jf970488w . [all data]

Jung, Kim, et al., 2001
Jung, E.-J.; Kim, J.-P.; Cho, J.-E.; Lee, J.-W.; Lee, Y.-B.; Kim, W.-J., effect of extraction solvent on volatile compounds of garlic oleoresin, J. Korean Soc. Food Sci. Nutr., 2001, 30, 6, 1033-1037. [all data]

Peng, Yang, et al., 1991
Peng, C.T.; Yang, Z.C.; Ding, S.F., Prediction of rentention idexes. II. Structure-retention index relationship on polar columns, J. Chromatogr., 1991, 586, 1, 85-112, https://doi.org/10.1016/0021-9673(91)80028-F . [all data]


Notes

Go To: Top, IR Spectrum, Gas Chromatography, References