Dimethyl trisulfide
- Formula: C2H6S3
- Molecular weight: 126.264
- IUPAC Standard InChIKey: YWHLKYXPLRWGSE-UHFFFAOYSA-N
- CAS Registry Number: 3658-80-8
- 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: Trisulfide, dimethyl; Methyl trisulfide; CH3SSSCH3; 2,3,4-Trithiapentane; Dimethyl trisulphide; 1,3-Dimethyltrisulfane; dimethyl trisufide; DMTS
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Other data available:
- Options:
Van Den Dool and Kratz RI, non-polar column, custom temperature program
Go To: Top, 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
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP-5MS | SPB-5 | SE-54 | HP-5MS | DB-5 |
Column length (m) | 30. | 30. | 25. | 30. | 30. |
Carrier gas | He | He | He | He | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.53 | 0.32 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 1.5 | 0.25 | 0.25 | 0.25 |
Program | 60C (1 min) => 5 C/min => 210C => 10 C/min => 280C (15 min) | 40C(1min) => 6C/min => 180C => 20C/min => 280C | 40C(1min) => 40C/min => 60C(1min) => 4C/min => 140C => 20C/min => 240C(5min) | 5C(8min) => 3C/min => 20C => 10C/min => 150C(10min) | 40C(1min) => 6C/min => 180C => 20C/min => 280C |
I | 977.2 | 961. | 961. | 956. | 961. |
Reference | Andriamaharavo, 2014 | Majcher and Jelen, 2007 | Frauendorfer and Schieberle, 2006 | Bonaiti, Irlinger, et al., 2005 | Majcher and Jelén, 2005 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-5 | DB-5 | BPX-5 | HP-5 | HP-5 |
Column length (m) | 30. | 30. | 50. | 50. | 30. |
Carrier gas | He | He | He | He | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.32 | 0.25 | 0.32 | 0.25 |
Phase thickness (μm) | 0.25 | 1. | 0.25 | 1.05 | 0.25 |
Program | 40C(2min) => 5C/min => 100C => 4C/min => 230C(10min) | 40C(2min) => 2C/min => 100C => 10C/min => 230C (5min) | 0C (5min) => 40C/min => 40C (2min) => 4C/min => 280C | 35C(5min) => 10C/min => 150C => 20C/min => 250C(10 min) | 5C(5min) => 3C/min => 20C => 5C/min => 100C 15C/min => 150C (5min) |
I | 979. | 964. | 978. | 954. | 954. |
Reference | Klesk and Qian, 2003 | Klesk and Qian, 2003, 2 | Byrne, Bredie, et al., 2002 | Carrapiso, Ventanas, et al., 2002 | Engel, Baty, et al., 2002 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-5 | CP Sil 8 CB | DB-5 | CP Sil 8 CB | DB-5 |
Column length (m) | 25. | 60. | 30. | 60. | 25. |
Carrier gas | He | He | He | He | |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.25 | 0.25 | 0.25 | 0.32 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Program | 35C (2min) => 40C/min => 50C (2min) => 4C/min => 240C (10min) | 0C => rapidly => 40C(8min) => 4C/min => 250C(10min) | 35 C (2 min) 40 C/min -> 50 C (2 min) 4 C/min -> 230 C | 0C => rapidly => 40C(8min) => 4C/min => 250C(10min) | 35C(2min) => 40C/min => 50C(2min) => 4C/min => 240C(10min) |
I | 965. | 976. | 961. | 980. | 965. |
Reference | Kirchhoff and Schieberle, 2002 | Oruna-Concha, Bakker, et al., 2002 | Zehentbauer and Reineccius, 2002 | Duckham, Dodson, et al., 2001 | Kirchhoff and Schieberle, 2001 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | CP Sil 8 CB | CP-Sil8 | DB-5 | CP-Sil 8CB-MS | DB-1 |
Column length (m) | 60. | 60. | 30. | 60. | 60. |
Carrier gas | He | He | He | He | He |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.32 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Program | 40C(2min) => 4C/min => 200C => 10C/min => 250C(15min) | 40C(2min) => 4C/min => 200C => 10C/min => 250C (15min) | 35C(2min) => 40C/min => 60C (2min) => 4C/min => 240C | 0C(5min) => 40C/min => 40C (2min) => 4C/min => 280C | -20C (5min) => 10C/min => 100C => 4C/min => 200C => 10C/min => 280C |
I | 989. | 989. | 964. | 979. | 947. |
Reference | Martin and Ames, 2001 | Martin and Ames, 2001, 2 | Rychlik and Bosset, 2001 | Elmore, Mottram, et al., 2000 | Eri, Khoo, et al., 2000 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-5 | DB-5 | SE-54 | BPX-5 | SE-54 |
Column length (m) | 30. | 30. | 30. | 50. | 60. |
Carrier gas | He | He | He | ||
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.32 | 0.32 | 0.32 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.5 | 0.25 |
Program | 40C(2min) => 40C/min => 50C (1min) => 6C/min => 180C => 10C/min => 240C (5min) | 40C(2min) => 40C/min => 50C (1min) => 6C/min => 180C => 10C/min => 240C (5min) | 35C (2min) => 40C/min => 60C (2min) => 6C/min => 180C (5min) => 10C/min => 230C (5min) | 0C(5min) => 40C/min => 40C(2min) => 4C/min => 280C | 40C(2min) => 5C/min => 70C(2min) => 6C/min => 250C(10min) |
I | 966. | 968. | 971. | 982. | 968. |
Reference | Munk, Munch, et al., 2000 | Munk, Munch, et al., 2000 | Tairu, Hofmann, et al., 2000 | Elmore, Mottram, et al., 1999 | Mutti and Grosch, 1999 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | RTX-5 | BPX-5 | SE-54 | SE-54 | SPB-1 |
Column length (m) | 50. | 25. | 25. | 30. | |
Carrier gas | He | He | He | N2 | |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.32 | 0.32 | |
Phase thickness (μm) | 0.5 | 0.5 | 0.5 | 4.0 | |
Program | not specified | OC (5min) => 60C/min => 60C(5min) => 4C/min => 250C | 35C (2min) => 4C/min => 150C => 10C/min => 240C | 35C (2min) => 4C/min => 150C => 10C/min => 240C | 40 0C (10 min), 2 0C/min to 180 0C, 25 0C/min to 250 0C (5 min) |
I | 971. | 990. | 973. | 963. | 946. |
Reference | Mutti and Grosch, 1999 | Bredie, Mottram, et al., 1998 | Fickert and Schieberle, 1998 | Fickert and Schieberle, 1998 | Mochizuki, Yamamoto, et al., 1998 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|
Active phase | RTX-5 | SE-54 | SE-54 | DB-5 |
Column length (m) | 30. | 30. | 30. | 30. |
Carrier gas | He | |||
Substrate | ||||
Column diameter (mm) | 0.53 | 0.32 | 0.32 | 0.32 |
Phase thickness (μm) | 1. | 1.0 | ||
Program | not specified | 35C (2min) => 40C/min => 50C (2min) => 4C/min => 250C (10min) | 35C (2min) => 40C/min => 50C (2min) => 4C/min => 250C (10min) | 5 0C (0.5 min) -> (1 min) 60 0C (5 min) 4 0C/min -> 250 0C |
I | 970. | 968. | 970. | 968. |
Reference | Heiler and Schieberle, 1997 | Kubícková and Grosch, 1997 | Kubícková and Grosch, 1997 | Beal and Mottram, 1994 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Van Den Dool and Kratz RI, non-polar column, custom temperature program, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Andriamaharavo, 2014
Andriamaharavo, N.R.,
Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2014. [all data]
Majcher and Jelen, 2007
Majcher, M.A.; Jelen, H.H.,
Effect of Cysteine and Cystine Addition on Sensory Profile and Potent Odorants of Extruded Potato Snacks,
J. Agric. Food Chem., 2007, 55, 14, 5754-5760, https://doi.org/10.1021/jf0703147
. [all data]
Frauendorfer and Schieberle, 2006
Frauendorfer, F.; Schieberle, P.,
Identification of the key aroma compounds in Cocoa powder based on molecular sensoly correlations,
J. Agr. Food Chem., 2006, 54, 15, 5521-5529, https://doi.org/10.1021/jf060728k
. [all data]
Bonaiti, Irlinger, et al., 2005
Bonaiti, C.; Irlinger, F.; Spinnler, H.E.; Engel, E.,
An iterative sensory procedure to select odor-active associations in complex consortia of microorganisms: application to the construction of a cheese model,
J. Dairy Sci., 2005, 88, 5, 1671-1684, https://doi.org/10.3168/jds.S0022-0302(05)72839-3
. [all data]
Majcher and Jelén, 2005
Majcher, M.A.; Jelén, H.H.,
Identification of potent odorants formed during the preparation of extruded potato snacks,
J. Agric. Food Chem., 2005, 53, 16, 6432-6437, https://doi.org/10.1021/jf050412x
. [all data]
Klesk and Qian, 2003
Klesk, K.; Qian, M.,
Aroma extract dilution analysis of Cv. Marion (Rubus spp. hyb) and Cv. Evergreen (R. Iaciniatus L.) blackberries,
J. Agric. Food Chem., 2003, 51, 11, 3436-3441, https://doi.org/10.1021/jf0262209
. [all data]
Klesk and Qian, 2003, 2
Klesk, K.; Qian, M.,
Preliminary aroma comparison of Marion (Rubus spp. hyb) and Evergreen (R. laciniatus L.) blackberries by dynamic headspace/OSME technique,
J. Food Sci., 2003, 68, 2, 697-700, https://doi.org/10.1111/j.1365-2621.2003.tb05734.x
. [all data]
Byrne, Bredie, et al., 2002
Byrne, D.V.; Bredie, W.L.P.; Mottram, D.S.; Martens, M.,
Sensory and chemical investigations on the effect of oven cooking on warmed-over flavour development in chicken meat,
Meat Sci., 2002, 61, 2, 127-139, https://doi.org/10.1016/S0309-1740(01)00171-1
. [all data]
Carrapiso, Ventanas, et al., 2002
Carrapiso, A.I.; Ventanas, J.; García, C.,
Characterization of the most odor-active compounds of Iberian ham headspace,
J. Agric. Food Chem., 2002, 50, 7, 1996-2000, https://doi.org/10.1021/jf011094e
. [all data]
Engel, Baty, et al., 2002
Engel, E.; Baty, C.; le Corre, D.; Souchon, I.; Martin, N.,
Flavor-active compounds potentially implicated in cooked cauliflower acceptance,
J. Agric. Food Chem., 2002, 50, 22, 6459-6467, https://doi.org/10.1021/jf025579u
. [all data]
Kirchhoff and Schieberle, 2002
Kirchhoff, E.; Schieberle, P.,
Quantitation of odor-active compounds in rye flour and rye sourdough using stable isotope dilution assays,
J. Agric. Food Chem., 2002, 50, 19, 5378-5385, https://doi.org/10.1021/jf020236h
. [all data]
Oruna-Concha, Bakker, et al., 2002
Oruna-Concha, M.J.; Bakker, J.; Ames, J.M.,
Comparison of the volatile components of two cultivars of potato cooked by boiling, conventional baking and microwave baking,
J. Sci. Food Agric., 2002, 82, 9, 1080-1087, https://doi.org/10.1002/jsfa.1148
. [all data]
Zehentbauer and Reineccius, 2002
Zehentbauer, G.; Reineccius, G.A.,
Determination of key aroma components of cheddar cheese using dynamic headspace dilution assay,
Flavour Fragr. J., 2002, 17, 4, 300-305, https://doi.org/10.1002/ffj.1102
. [all data]
Duckham, Dodson, et al., 2001
Duckham, S.C.; Dodson, A.T.; Bakker, J.; Ames, J.M.,
Volatile flavour components of baked potato flesh. A comparison of eleven potato cultivars,
Nahrung/Food, 2001, 45, 5, 317-323, https://doi.org/10.1002/1521-3803(20011001)45:5<317::AID-FOOD317>3.0.CO;2-4
. [all data]
Kirchhoff and Schieberle, 2001
Kirchhoff, E.; Schieberle, P.,
Determination of key aroma compounds in the crumb of a three-stage sourdough rye bread by stable isotope dilution assays and sensory studies,
J. Agric. Food Chem., 2001, 49, 9, 4304-4311, https://doi.org/10.1021/jf010376b
. [all data]
Martin and Ames, 2001
Martin, F.L.; Ames, J.M.,
Formation of Strecker aldehydes and pyrazines in a fried potato model system,
J. Agric. Food Chem., 2001, 49, 8, 3885-3892, https://doi.org/10.1021/jf010310g
. [all data]
Martin and Ames, 2001, 2
Martin, F.L.; Ames, J.M.,
Comparison of flavor compounds of potato chips fried in palmolein and silicone fluid,
J. Amer. Oil Chem. Soc., 2001, 78, 8, 863-866, https://doi.org/10.1007/s11746-001-0356-2
. [all data]
Rychlik and Bosset, 2001
Rychlik, M.; Bosset, J.O.,
Flavour and off-flavour compoundsof SwissGruy ere cheese. Evaluation of potent odorants,
Int. Dairy J., 2001, 11, 11-12, 895-901, https://doi.org/10.1016/S0958-6946(01)00108-X
. [all data]
Elmore, Mottram, et al., 2000
Elmore, J.S.; Mottram, D.S.; Enser, M.; Wood, J.D.,
The effects of diet and breed on the volatile compounds of cooked lamb,
Meat Sci., 2000, 55, 2, 149-159, https://doi.org/10.1016/S0309-1740(99)00137-0
. [all data]
Eri, Khoo, et al., 2000
Eri, S.; Khoo, B.K.; Lech, J.; Hartman, T.G.,
Direct thermal desorption-gas chromatography and gas chromatography-mass spectrometry profiling of hop (Humulus lupulus L.) essential oils in support of varietal characterization,
J. Agric. Food Chem., 2000, 48, 4, 1140-1149, https://doi.org/10.1021/jf9911850
. [all data]
Munk, Munch, et al., 2000
Munk, S.; Munch, P.; Stahnke, L.; Adler-Nissen., J.; Schieberle, P.,
Primary odorants of laundry soiled with sweat/sebum: influence of lipase on the odor profile,
Journal of Surfactants and Detergents, 2000, 3, 4, 505-515, https://doi.org/10.1007/s11743-000-0150-z
. [all data]
Tairu, Hofmann, et al., 2000
Tairu, A.O.; Hofmann, T.; Schieberle, P.,
Studies on the key odorants formed by roasting of wild mango seeds (Irvingia gabonensis),
J. Agric. Food Chem., 2000, 48, 6, 2391-2394, https://doi.org/10.1021/jf990765u
. [all data]
Elmore, Mottram, et al., 1999
Elmore, J.S.; Mottram, D.S.; Enser, M.; Wood, J.D.,
Effect of the polyunsaturated fatty acid composition of beef muscle on the profile of aroma volatiles,
J. Agric. Food Chem., 1999, 47, 4, 1619-1625, https://doi.org/10.1021/jf980718m
. [all data]
Mutti and Grosch, 1999
Mutti, B.; Grosch, W.,
Potent odorants of boiled potatoes,
Nahrung, 1999, 43, 5, 302-306, https://doi.org/10.1002/(SICI)1521-3803(19991001)43:5<302::AID-FOOD302>3.0.CO;2-8
. [all data]
Bredie, Mottram, et al., 1998
Bredie, W.L.P.; Mottram, D.S.; Guy, R.C.E.,
Aroma volatiles generated during extrusion cooking of maize flour,
J. Agric. Food Chem., 1998, 46, 4, 1479-1487, https://doi.org/10.1021/jf9708857
. [all data]
Fickert and Schieberle, 1998
Fickert, B.; Schieberle, P.,
Identification of the key odorants in barley malt (caramalt) using GC/MS techniques and odour dilution analyses,
Nahrung, 1998, 42, 6, 371-375, https://doi.org/10.1002/(SICI)1521-3803(199812)42:06<371::AID-FOOD371>3.0.CO;2-V
. [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]
Heiler and Schieberle, 1997
Heiler, C.; Schieberle, P.,
Quantitative instrumental and sensory studies on Aroma compounds contributing to a metallic flavour defect in buttermilk,
Int. Dairy J., 1997, 7, 10, 659-666, https://doi.org/10.1016/S0958-6946(97)00067-8
. [all data]
Kubícková and Grosch, 1997
Kubícková, J.; Grosch, W.,
Evaluation of potent odorants of camembert cheese by dilution and concentration techniques,
Int. Dairy J., 1997, 7, 1, 65-70, https://doi.org/10.1016/S0958-6946(96)00044-1
. [all data]
Beal and Mottram, 1994
Beal, A.D.; Mottram, D.S.,
Compounds contributing to the characteristic aroma of malted barley,
J. Agric. Food Chem., 1994, 42, 12, 2880-2884, https://doi.org/10.1021/jf00048a043
. [all data]
Notes
Go To: Top, Van Den Dool and Kratz RI, non-polar column, custom temperature program, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
- The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
- Customer support for NIST Standard Reference Data products.