Trisulfide, di-2-propenyl
- Formula: C6H10S3
- Molecular weight: 178.339
- IUPAC Standard InChI: InChI=1S/C6H10S3/c1-3-5-7-9-8-6-4-2/h3-4H,1-2,5-6H2
- IUPAC Standard InChIKey: UBAXRAHSPKWNCX-UHFFFAOYSA-N
- CAS Registry Number: 2050-87-5
- 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: Allyl trisulfide; Diallyl trisulfide; Diprop-2-en-1-yltrisulfane; 1,3-Diallyltrisulfane; di-(2-Propenyl)trisulfide; diallyl trisulphide
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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 | J. MADSEN,DEP. ORG. CHEM.,TECH. UNIV. DENMARK,LYNGBY,DENMARK |
| NIST MS number | 99488 |
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. | 1282. | Misharina and Golovnya, 1989 | He; Column length: 50. m; Column diameter: 0.32 mm |
Kovats' RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | SE-54 | 1296. | 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 | HP-5MS | 1289. | Pino, Mesa, et al., 2005 | 30. m/0.25 mm/0.25 μm, He, 60. C @ 2. min, 4. K/min, 250. C @ 20. min |
| Capillary | DB-1 | 1283. | 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 | 1320. | 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 | 1275. | 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 | 1276. | Misharina and Golovnya, 1989 | He, 4. K/min; Column length: 50. m; Column diameter: 0.32 mm; Tstart: 50. C; Tend: 250. C |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5MS | 1304. | 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 | 1280. | 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 | 1819. | 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 | Carbowax | 1805. | 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 | 1789. | 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 | 1775. | 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 | 1784. | 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 | 1784. | 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 | 1806. | 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 | 1806. | 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 | 1806. | 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 | SPB-1 | 1266. | Rao, Nagender, et al., 2007 | 30. m/0.32 mm/0.25 μm, Helium, 40. C @ 2. min, 2. K/min; Tend: 220. C |
| Capillary | RSL-200 | 1277. | 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 | 1300. | Zoghbi, Andrade, et al., 2002 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 270. C |
| Capillary | HP-5 | 1297. | Kubec, Velísek, et al., 1997 | 30. m/0.25 mm/0.25 μm, N2, 40. C @ 3. min, 4. K/min, 240. C @ 10. min |
| Capillary | DB-1 | 1292. | 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 | 1322. | 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 | SPB-1 | 1270. | Rao, Nagender, et al., 2007 | 30. m/0.32 mm/0.25 μm, Helium; Program: not specified |
| Capillary | HP-5 MS | 1312. | Pyun and Shin, 2006 | 30. m/0.25 mm/0.25 μm; Program: 40 0C (3 min) 2 0C/min -> 150 0C 20 0C/min -> 220 0C (5 min) |
| Capillary | SE-30 | 1279. | Vinogradov, 2004 | Program: not specified |
| Capillary | HP-5MS | 1296. | Ansorena, Gimeno, et al., 2001 | 30. m/0.25 mm/0.25 μm, He; Program: 40C (10min) => 3C/min => 120C => 10C/min => 250C (5min) |
Normal alkane RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-Wax | 1787. | Chen and Ho, 1998 | He, 4. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tstart: 50. C; Tend: 220. C |
| Capillary | HP-Innowax | 1822. | Kubec, Velísek, et al., 1997 | 30. m/0.25 mm/0.5 μm, N2, 40. C @ 3. min, 4. K/min; Tend: 190. C |
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]
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, Mesa, et al., 2005
Pino, J.A.; Mesa, J.; Muñoz, Y.; Martí, M.P.; Marbot, R.,
Volatile components from mango (Mangifera indica L.) cultivars,
J. Agric. Food Chem., 2005, 53, 6, 2213-2223, https://doi.org/10.1021/jf0402633
. [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]
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., 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]
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]
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,
Eur. Food Res. Technol., 2002, 214, 3, 212-215, https://doi.org/10.1007/s00217-001-0481-y
. [all data]
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,
Flavour Fragr. J., 2002, 17, 2, 133-135, https://doi.org/10.1002/ffj.1051
. [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]
Yu, Wu, et al., 1994
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]
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]
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]
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]
Notes
Go To: Top, Mass spectrum (electron ionization), Gas Chromatography, References
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