1,2,4-Trithiolane, 3,5-dimethyl-
- Formula: C4H8S3
- Molecular weight: 152.301
- IUPAC Standard InChI: InChI=1S/C4H8S3/c1-3-5-4(2)7-6-3/h3-4H,1-2H3
- IUPAC Standard InChIKey: HFRUNLRFNNTTPQ-UHFFFAOYSA-N
- CAS Registry Number: 23654-92-4
- 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. - Species with the same structure:
- Stereoisomers:
- Other names: 2,5-Dimethyl-1,3,4-trithiolane; 3,5-Dimethyl-1,2,4-trithiolane; 3,5-Dimethyl-1,2,4-trithiolan; 3,5-Dimethyl-1,2,4-trithiolane, isomer # 2; 3,5-Methylethyl-1,2,4-trithiolane; 3,5-dimethyl-1,2,-trithiolane, isomer 1; 3,5-dimethyl-1,2,-trithiolane, isomer 2
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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 | MASS SPECTRA OF ORGANIC COMPOUNDS, V. 5, B. H. KENNETT ET AL, DIV. OF FOOD RESEARCH, CSIRO, AUSTRALIA |
| NIST MS number | 57699 |
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
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | BPX-5 | 1172. | Ames, Guy, et al., 2001 | 50. m/0.32 mm/0.5 μm, He, 60. C @ 5. min, 4. K/min, 250. C @ 10. min |
| Capillary | Ultra-1 | 1189.1 | Farkas, Hradský, et al., 1992 | 25. m/0.2 mm/0.33 μm, H2, 2. K/min; Tstart: 60. C; Tend: 230. C |
| Capillary | DB-1 | 1101. | Izzo and Ho, 1991 | 50. m/0.32 mm/1.05 μm, He, 2. K/min, 260. C @ 40. min; Tstart: 40. C |
| Packed | OV-101 | 1100. | Nixon, Wong, et al., 1979 | Gas-Chrom Q, 2. K/min; Column length: 2.5 m; Tstart: 50. C; Tend: 220. C |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-5 | 1136. | Mottram and Whitfield, 1995 | He; Column length: 50. m; Column diameter: 0.32 mm; Program: 0C => 60C/min => 60C (5min) => 4C/min => 250C |
| Capillary | DB-5 | 1148. | Mottram and Whitfield, 1995 | He; Column length: 50. m; Column diameter: 0.32 mm; Program: 0C => 60C/min => 60C (5min) => 4C/min => 250C |
Van Den Dool and Kratz RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Supelcowax-10 | 1610. | Chung, 1999 | 60. m/0.25 mm/0.25 μm, He, 35. C @ 5. min, 2. K/min, 195. C @ 90. min |
| Capillary | Supelcowax-10 | 1631. | Chung, 1999 | 60. m/0.25 mm/0.25 μm, He, 35. C @ 5. min, 2. K/min, 195. C @ 90. min |
| Capillary | DB-Wax | 1602. | Chung, Eiserich, et al., 1994 | He, 60. C @ 4. min, 3. K/min, 220. C @ 30. min; Column length: 60. m; Column diameter: 0.25 mm |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Optima-5 | 1130. | Al-Qudah, Muhaidat, et al., 2012 | 30. m/0.25 mm/0.25 μm, Helium, 60. C @ 1. min, 3. K/min; Tend: 246. C |
| Capillary | DB-1 | 1111. | Tai and Ho, 1998 | 60. m/0.32 mm/1.0 μm, He, 2. K/min; Tstart: 40. C; Tend: 280. C |
| Capillary | Ultra 1 | 1097. | Farkas, Sádecká, et al., 1997 | 50. m/0.20 mm/0.33 μm, Helium, 30. C @ 1. min, 1.7 K/min; Tend: 250. C |
| Capillary | SE-54 | 1136. | Weenen, Koolhaas, et al., 1996 | 50. m/0.32 mm/1.05 μm, He, 2. K/min; Tstart: 40. C; Tend: 300. C |
| Capillary | SE-54 | 1143. | Weenen, Koolhaas, et al., 1996 | 50. m/0.32 mm/1.05 μm, He, 2. K/min; Tstart: 40. C; Tend: 300. C |
| Capillary | SE-54 | 1150. | Weenen, Koolhaas, et al., 1996 | 50. m/0.32 mm/1.05 μm, He, 2. K/min; Tstart: 40. C; Tend: 300. C |
| Capillary | SE-54 | 1151. | Weenen, Koolhaas, et al., 1996 | 50. m/0.32 mm/1.05 μm, He, 2. K/min; Tstart: 40. C; Tend: 300. C |
| Capillary | DB-1 | 1127. | Yu, Wu, et al., 1994 | 60. m/0.25 mm/1. μm, He, 40. C @ 5. min, 2. K/min, 260. C @ 60. min |
| Capillary | DB-1 | 1133. | 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 | TR-5 MS | 1114. | Kurashov, Mitrukova, et al., 2014 | 15. m/0.25 mm/0.25 μm, Helium; Program: 35 0C (3 min) 2 0C/min -> 60 0C (3 min) 2 0C/min -> 80 0C (3 min) 4 0C/min -> 120 0C (3 min) 5 0C/min -> 150 0C (3 min) 15 0C/min -> 240 0C (10 min) |
| Capillary | TR-5 MS | 1129. | Kurashov, Krylova, et al., 2013 | 15. m/0.25 mm/0.25 μm, Helium; Program: 35 0C (3 min) 2 0C/min -> 60 0C (3 min) 2 0C/min -> 80 0C (3 min) 4 0C/min -> 120 0C (3 min) 5 0C/min -> 150 0C (3 mion) 15 0C/min -> 240 0C (10 min) |
| Capillary | Polydimethyl siloxane | 1153. | Xu, He, et al., 2010 | Program: 40 0C 20 0C/min -> 60 0C (5 min) 4 0C/min -> 250 0C |
| Capillary | Polydimethyl siloxane | 1160. | Xu, He, et al., 2010 | Program: 40 0C 20 0C/min -> 60 0C (5 min) 4 0C/min -> 250 0C |
Normal alkane RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | AT-Wax | 1632. | Kiss, Csoka, et al., 2011 | 60. m/0.25 mm/0.25 μm, Helium, 4. K/min; Tstart: 60. C; Tend: 280. C |
| Capillary | Supelcowax-10 | 1623. | Chin, Nazimah, et al., 2007 | 10. m/0.1 mm/0.1 μm, He, 40. C @ 1.5 min, 50. K/min, 240. C @ 2. min |
| Capillary | Supelcowax-10 | 1642. | Chin, Nazimah, et al., 2007 | 10. m/0.1 mm/0.1 μm, He, 40. C @ 1.5 min, 50. K/min, 240. C @ 2. min |
| Capillary | DB-Wax | 1583. | Horiuchi, Umano, et al., 1998 | 60. m/0.25 mm/1. μm, He, 3. K/min, 200. C @ 40. min; Tstart: 50. C |
| Capillary | DB-Wax | 1617. | Farkas, Sádecká, et al., 1997 | 30. m/0.32 mm/0.50 μm, Hydrogen, 35. C @ 0.5 min, 4. K/min; Tend: 250. C |
| Capillary | DB-Wax | 1618. | Umano, Hagi, et al., 1995 | He, 40. C @ 2. min, 2. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 200. C |
| Capillary | DB-Wax | 1597. | Umano, Hagi, et al., 1995 | He, 40. C @ 2. min, 2. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 200. C |
| Capillary | Carbowax 20M | 1570. | Seifert and King, 1982 | He, 50. C @ 10. min, 1. K/min, 170. C @ 60. min; Column length: 150. m; Column diameter: 0.64 mm |
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.
Ames, Guy, et al., 2001
Ames, J.M.; Guy, R.C.E.; Kipping, G.J.,
Effect of pH and temperature on the formation of volatile compounds in cysteine/reducing sugar/starch mixtures during extrusion cooking,
J. Agric. Food Chem., 2001, 49, 4, 1885-1894, https://doi.org/10.1021/jf0012547
. [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]
Izzo and Ho, 1991
Izzo, H.V.; Ho, C.-T.,
Isolation and identification of the volatile components of an extruded autolyzed yeast extract,
J. Agric. Food Chem., 1991, 39, 12, 2245-2248, https://doi.org/10.1021/jf00012a029
. [all data]
Nixon, Wong, et al., 1979
Nixon, L.N.; Wong, E.; Johnson, C.B.; Birch, E.J.,
Nonacidic constituents of volatiles from cooked mutton,
J. Agric. Food Chem., 1979, 27, 2, 355-359, https://doi.org/10.1021/jf60222a044
. [all data]
Mottram and Whitfield, 1995
Mottram, D.S.; Whitfield, F.B.,
Volatile compounds from the reaction of cysteine, ribose, and phospholipid in low-moisture systems,
J. Agric. Food Chem., 1995, 43, 4, 984-988, https://doi.org/10.1021/jf00052a027
. [all data]
Chung, 1999
Chung, H.Y.,
Volatile components in crabmeats of Charybdis feriatus,
J. Agric. Food Chem., 1999, 47, 6, 2280-2287, https://doi.org/10.1021/jf981027t
. [all data]
Chung, Eiserich, et al., 1994
Chung, T.Y.; Eiserich, J.P.; Shibamoto, T.,
Volatile compounds produced from peanut oil heated with different amounts of cysteine,
J. Agric. Food Chem., 1994, 42, 8, 1743-1746, https://doi.org/10.1021/jf00044a032
. [all data]
Al-Qudah, Muhaidat, et al., 2012
Al-Qudah, M.A.; Muhaidat, R.; Trawenh, I.N.; Jaber, H.I.; Abu Zarga, M.H.; Abu Orabi, S.T.,
Volatile constituents of leaves and bulbs of Gynandriris Sisyrinchicum and their antimicrobial activities,
Jordan J. Chem., 2012, 7, 3, 287-295. [all data]
Tai and Ho, 1998
Tai, C.-Y.; Ho, C.-T.,
Influence of glutathione oxidation and pH on thermal formation of Maillard-type volatile compounds,
J. Agric. Food Chem., 1998, 46, 6, 2260-2265, https://doi.org/10.1021/jf971111t
. [all data]
Farkas, Sádecká, et al., 1997
Farkas, P.; Sádecká, J.; Kovác, M.; Siegmund, B.; Leitner, E.; Pfannhauser, W.,
Key odourants of pressure-cooked hen meat,
Food Chem., 1997, 60, 4, 617-621, https://doi.org/10.1016/S0308-8146(97)00042-3
. [all data]
Weenen, Koolhaas, et al., 1996
Weenen, H.; Koolhaas, W.E.; Apriyantono, A.,
Sulfur-containing volatiles of durian fruits (Durio zibethinus Murr.),
J. Agric. Food Chem., 1996, 44, 10, 3291-3293, https://doi.org/10.1021/jf960191i
. [all data]
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,
J. Agric. Food Chem., 1994, 42, 1, 146-153, https://doi.org/10.1021/jf00037a026
. [all data]
Kurashov, Mitrukova, et al., 2014
Kurashov, E.A.; Mitrukova, G.G.; Krylova, Yu.V.,
Variations in the component composition of essential oil of Ceratophyllum demersum (Ceratophyllaceae) during vegetation (in press),
Plant Resources (Rastitel'nye Resursy), 2014, 1, 000-000. [all data]
Kurashov, Krylova, et al., 2013
Kurashov, E.A.; Krylova, Yu.V.; Mitrukova, G.G.,
Variations in component composition of essential oil of Potamogeton pusillus (Potamogetonaceae) dirong vegetation,
Plant Resources (Rastitel'nye Resursy), 2013, 000-000. [all data]
Xu, He, et al., 2010
Xu, H.; He, W.; Liu, X.; Gao, Y.,
Effect of pressure on the Maillard reaction between ribose and cysteine in supercritical carbon dioxide,
Czech J. Food Sci., 2010, 28, 3, 192-201. [all data]
Kiss, Csoka, et al., 2011
Kiss, M.; Csoka, M.; Gyorfi, J.; Korany, K.,
Comparison of the fragrance constituents of Tuber aestivium and Tuber Brumale gathered in Hungary,
J. Appl. Botany Food Quality, 2011, 84, 102-110. [all data]
Chin, Nazimah, et al., 2007
Chin, S.T.; Nazimah, S.A.H.; Quek, S.Y.; Che Man, Y.B.; Rahman, R.A.; Hashim, D.M.,
Analysis of volatile compounds from Malaysian durians (Durio zibethinus) using headspace SPME coupled to fast GC-MS,
J. Food Comp. Anal., 2007, 20, 1, 31-44, https://doi.org/10.1016/j.jfca.2006.04.011
. [all data]
Horiuchi, Umano, et al., 1998
Horiuchi, M.; Umano, K.; Shibamoto, T.,
Analysis of volatile compounds formed from fish oil heated with cysteine and trimethylamine oxide,
J. Agric. Food Chem., 1998, 46, 12, 5232-5237, https://doi.org/10.1021/jf980482m
. [all data]
Umano, Hagi, et al., 1995
Umano, K.; Hagi, Y.; Nakahara, K.; Shyoji, A.; Shibamoto, T.,
Volatile chemicals formed in the headspace of a heated D-glucose/L-cysteine Maillard model system,
J. Agric. Food Chem., 1995, 43, 8, 2212-2218, https://doi.org/10.1021/jf00056a046
. [all data]
Seifert and King, 1982
Seifert, R.M.; King, A.D., Jr.,
Identification of some volatile constituents of Aspergillus clavatus,
J. Agric. Food Chem., 1982, 30, 4, 786-790, https://doi.org/10.1021/jf00112a044
. [all data]
Notes
Go To: Top, Mass spectrum (electron ionization), Gas Chromatography, References
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