Disulfide, methyl 2-propenyl
- Formula: C4H8S2
- Molecular weight: 120.236
- IUPAC Standard InChI: InChI=1S/C4H8S2/c1-3-4-6-5-2/h3H,1,4H2,2H3
- IUPAC Standard InChIKey: XNZOTQPMYMCTBZ-UHFFFAOYSA-N
- CAS Registry Number: 2179-58-0
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: 2-propenylmethyldisulfide; 4,5-dithia-1-hexene; Allyl methyl disulfide; Allyl methyl disulphide; Methyl 2-propenyl disulfide; Methyl allyl disulfide; 1-Allyl-2-methyldisulfane; 3-(Methyldisulfanyl)-1-propene; Methyl allyl disulphide
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Mass spectrum (electron ionization)
Go To: Top, Gas Chromatography, 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
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 | NIST Mass Spectrometry Data Center |
| NIST MS number | 413584 |
Gas Chromatography
Go To: Top, Mass spectrum (electron ionization), 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
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Capillary | OV-101 | 130. | 915. | Misharina and Golovnya, 1989 | He; Column length: 50. m; Column diameter: 0.32 mm |
| Packed | Apiezon M | 130. | 928. | Garbuzov, Misharina, et al., 1985 | He or N2, Chromosorb W, AW-DMCS; Column length: 2.1 m |
Kovats' RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | SE-54 | 910. | Zoghbi, Ramos, et al., 1984 | 30. 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
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-1 | 900. | Pino, Fuentes, et al., 2001 | He, 60. C @ 4. min, 4. K/min; Column length: 30. m; Column diameter: 0.32 mm; Tend: 250. C |
| Capillary | DB-5 | 922. | Kim, Wu, et al., 1995 | He, 40. C @ 10. min, 4. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 200. C |
| Capillary | DB-1 | 902. | Yu, Lin, et al., 1994 | 60. m/0.25 mm/1.0 μm, He, 40. C @ 5. min, 2. K/min, 260. C @ 60. min |
| Capillary | OV-101 | 900. | Misharina and Golovnya, 1989 | He, 4. K/min; Column length: 50. m; Column diameter: 0.32 mm; Tstart: 50. C; Tend: 250. C |
| Capillary | OV-1 | 895. | Schreyen, Dirinck, et al., 1976 | N2, 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
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5MS | 918.5 | Andriamaharavo, 2014 | 30. m/0.25 mm/0.25 μm, He; Program: 60C (1 min) => 5 C/min => 210C => 10 C/min => 280C (15 min) |
| Capillary | SPB-1 | 894. | Mochizuki, Yamamoto, et al., 1998 | 30. 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
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | FFAP | 1261. | Calvo-Gómez, Morales-López, et al., 2004 | 30. m/0.25 mm/0.25 μm, He, 40. C @ 3. min, 5. K/min; Tend: 220. C |
| Capillary | DB-Wax | 1296. | Nielsen, Larsen, et al., 2004 | 30. m/0.25 mm/0.25 μm, He, 45. C @ 10. min, 6. K/min, 240. C @ 30. min |
| Capillary | DB-Wax | 1266. | Nielsen and Poll, 2004 | 30. m/0.25 mm/0.25 μm, He, 45. C @ 10. min, 3. K/min, 240. C @ 30. min |
| Capillary | HP-Innowax | 1322. | Storsberg, Schulz, et al., 2004 | 60. m/0.25 mm/0.5 μm, H2, 10. K/min; Tstart: 35. C; Tend: 220. C |
| Capillary | DB-Wax | 1296. | Nielsen, Larsen, et al., 2003 | 30. m/0.25 mm/0.25 μm, He, 40. C @ 10. min, 6. K/min, 240. C @ 30. min |
| Capillary | Carbowax | 1281. | Edris and Fadel, 2002 | He, 2. K/min; Column length: 60. m; Column diameter: 0.32 mm; Tstart: 50. C; Tend: 200. C |
| Capillary | DB-Wax | 1281. | Cha, Kim, et al., 1998 | 60. m/0.25 mm/0.25 μm, 40. C @ 5. min, 3. K/min, 200. C @ 60. min |
| Capillary | DB-Wax | 1266. | Cha, Kim, et al., 1998 | 30. m/0.32 mm/0.25 μm, He, 40. C @ 5. min, 6. K/min, 200. C @ 30. min |
| Capillary | CP-Wax 52CB | 1283. | Kim, Wu, et al., 1995, 2 | N2, 60. C @ 4. min, 2. K/min, 200. C @ 30. min; Column length: 50. m; Column diameter: 0.25 mm |
| Capillary | CP-Wax 52CB | 1282. | Kim, Wu, et al., 1995, 2 | N2, 60. C @ 4. min, 2. K/min, 200. C @ 30. min; Column length: 50. m; Column diameter: 0.25 mm |
| Capillary | CP-Wax 52CB | 1241. | Yu, Wu, et al., 1993 | 50. m/0.32 mm/0.25 μm, H2, 40. C @ 10. min, 1.5 K/min, 200. C @ 60. min |
| Capillary | CP-Wax 52CB | 1282. | Yu, Wu, et al., 1989 | N2, 2. K/min; Column length: 50. m; Column diameter: 0.22 mm; Tstart: 50. C; Tend: 200. C |
| Capillary | CP-Wax 52CB | 1282. | Yu, Wu, et al., 1989, 2 | N2, 2. K/min; Column length: 50. m; Column diameter: 0.22 mm; Tstart: 50. C; Tend: 200. C |
| Capillary | CP-Wax 52CB | 1282. | Yu and Wu, 1989 | N2, 2. K/min; Column length: 50. m; Column diameter: 0.22 mm; Tstart: 50. C; Tend: 200. C |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | 5 % Phenyl methyl siloxane | 923. | Ramirez R. and Cava R., 2007 | 30. m/0.25 mm/1. μm, He, 40. C @ 10. min, 7. K/min, 250. C @ 5. min |
| Capillary | RSL-200 | 887. | Jirovetz, Ngassoum, et al., 2002 | 30. m/0.32 mm/0.25 μm, H2, 50. C @ 5. min, 6. K/min, 280. C @ 5. min |
| Capillary | DB-5MS | 919. | Zoghbi, Andrade, et al., 2002 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 270. C |
| Capillary | DB-5 | 924. | Meynier, Novelli, et al., 1999 | 30. m/0.32 mm/1. μm, 40. C @ 5. min, 3. K/min; Tend: 200. C |
| Capillary | HP-1 | 891. | Lopes, Godoy, et al., 1997 | 25. m/0.32 mm/0.17 μm, H2, 5. K/min; Tstart: 40. C; Tend: 200. C |
| Capillary | DB-1 | 900. | Yu, Wu, et al., 1994 | 60. 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
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5 | 921. | Rotsatschakul, Visesanguan, et al., 2009 | 60. m/0.25 mm/0.25 μm, 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) |
| Capillary | SE-30 | 900. | Vinogradov, 2004 | Program: not specified |
| Capillary | HP-5MS | 913. | Ansorena, Gimeno, et al., 2001 | 30. m/0.25 mm/0.25 μm, He; Program: 40C (10min) => 3C/min => 120C => 10C/min => 250C (5min) |
| Capillary | HP-5 | 912. | Ansorena, Astiasarán, et al., 2000 | 30. m/0.25 mm/0.25 μm, He; Program: 40C (10min) => 3C/min => 120C => 10C/min => 250C (5min) |
| Capillary | DB-5 | 920. | Mateo and Zumalacárregui, 1996 | 50. m/0.32 mm/0.25 μm, He; Program: 40C (10min) => 3C/min => 95C => 10C/min => 270C (10min) |
| Capillary | DB-5 | 928. | Mateo and Zumalacárregui, 1996 | 50. m/0.32 mm/0.25 μm, He; Program: 40C (10min) => 3C/min => 95C => 10C/min => 270C (10min) |
| Capillary | DB-5 | 926. | Mateo and Zumalacárregui, 1996 | 50. 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
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-Wax | 1271. | Chyau and Mau, 1999 | 60. m/0.25 mm/0.25 μm, N2, 3. K/min; Tstart: 40. C; Tend: 210. C |
Normal alkane RI, polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Supelcowax-10 | 1253. | Jung, Kim, et al., 2001 | Program: not specified |
References
Go To: Top, Mass spectrum (electron ionization), Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Misharina and Golovnya, 1989
Misharina, T.A.; Golovnya, R.V.,
Regularities of retention of a pseudohomologous series of dialkylpolysulfides in capillary gas chromatography,
Zh. Anal. Khim., 1989, 44, 514-519. [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]
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]
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,
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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,
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. [all data]
Schreyen, Dirinck, et al., 1976
Schreyen, L.; Dirinck, P.; van Wassenhove, F.; Schamp, N.,
Volatile flavor components of leek,
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. [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,
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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
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Nielsen, Larsen, et al., 2004
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,
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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,
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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.,
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Nielsen, Larsen, et al., 2003
Nielsen, G.S.; Larsen, L.M.; Poll, L.,
Formation of aroma compounds and lipoxygenase (EC 1.13.11.12) activity in unblanced leek (Allium ampeloprasum Var. Bulga) slices during long-term frozen storage,
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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,
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Cha, Kim, et al., 1998
Cha, Y.J.; Kim, H.; Cadwallader, K.R.,
Aroma-active compounds in Kimchi during fermentation,
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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,
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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,
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Yu, Wu, et al., 1989
Yu, T.-H.; Wu, C.-M.; Liou, Y.-C.,
Volatile compounds from garlic,
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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,
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Yu and Wu, 1989
Yu, T.-H.; Wu, C.-M.,
Stability of Allicin in Garlic Juice,
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Ramirez R. and Cava R., 2007
Ramirez R.; Cava R.,
Volatile profiles of dry-cured meat products from three different Iberian x Duroc genotypes,
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Jirovetz, Ngassoum, et al., 2002
Jirovetz, L.; Ngassoum, M.B.; Geissler, M.,
Analysis of the headspace aroma compounds of the seeds of the Cameroonian garlic plant Hua gabonii using SPME/GC/FID, SPME/GC/MS and olfactometry,
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Zoghbi, Andrade, et al., 2002
Zoghbi, M.G.B.; Andrade, E.H.A.; Maia, J.G.S.,
Volatile constituents from Adenocalymma alliaceum Miers and Petiveria alliacea L., two medicinal herbs of the Amazon,
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Meynier, Novelli, et al., 1999
Meynier, A.; Novelli, E.; Chissolinim, R.; Zanardi, E.; Gandemer, G.,
Volatile compounds of commercial Milano salami,
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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,
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Yu, Wu, et al., 1994
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,
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. [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),
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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
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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]
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]
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]
Notes
Go To: Top, Mass spectrum (electron ionization), Gas Chromatography, References
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