Dimethyl Sulfoxide
- Formula: C2H6OS
- Molecular weight: 78.133
- IUPAC Standard InChIKey: IAZDPXIOMUYVGZ-UHFFFAOYSA-N
- CAS Registry Number: 67-68-5
- 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. - Isotopologues:
- Other names: DMSO; Methane, sulfinylbis-; Methyl sulfoxide; Demsodrox; Dimexide; Dipirartril-tropico; Dolicur; Dromisol; Durasorb; DMS 70; DMS 90; Hyadur; Infiltrina; Somipront; Sulfinylbismethane; SQ 9453; Dimethyl sulphoxide; (CH3)2SO; A 10846; Deltan; Demasorb; Demavet; Demeso; Dermasorb; Doligur; Domoso; Gamasol 90; M 176; Methylsulfinylmethane; Rimso 50; Syntexan; NSC-763; Topsym; Dimethyl sulfur oxide; Herpid; Kemsol; Sclerosol; Sulfoxide, dimethyl; Methane, 1,1'-sulfinylbis-; DMSO (methyl sulfoxide); Sulphinylbis methane
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IR Spectrum
Go To: Top, Mass spectrum (electron ionization), Gas Chromatography, References, Notes
Data compiled by: Coblentz Society, Inc.
- LIQUID (NEAT); BECKMAN IR-7 (GRATING); DIGITIZED BY NIST FROM HARD COPY (FROM TWO SEGMENTS); 4 cm-1 resolution
- LIQUID (NEAT); PERKIN-ELMER 180; DIGITIZED BY NIST FROM HARD COPY (FROM TWO SEGMENTS); 4 cm-1 resolution
- SOLUTION (10% IN CCl4 FOR 4000-1330 CM-1, 10% IN CS2 FOR 1330-600 CM-1); BECKMAN IR-7 (GRATING); DIGITIZED BY NIST FROM HARD COPY (FROM TWO SEGMENTS); 4 cm-1 resolution
- SOLUTION (10.75% IN CCl4 FOR 3800-1300, 2.24% IN CS2 FOR 1300-620, AND 10.75% IN CCl4 FOR 620-250 CM-1) VERSUS SOLVENT; Not specified, most likely a grating or hybrid spectrometer.; DIGITIZED BY NIST FROM HARD COPY (FROM TWO SEGMENTS); 4 cm-1 resolution
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Mass spectrum (electron ionization)
Go To: Top, IR Spectrum, 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, 1990. |
NIST MS number | 118614 |
Gas Chromatography
Go To: Top, IR Spectrum, 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 | Methyl Silicone | 100. | 780. | Huber, Kenndler, et al., 1993 | H2; Column length: 5. m; Phase thickness: 2.65 μm |
Capillary | Methyl Silicone | 120. | 784. | Huber, Kenndler, et al., 1993 | H2; Column length: 5. m; Phase thickness: 2.65 μm |
Capillary | Methyl Silicone | 80. | 777. | Huber, Kenndler, et al., 1993 | H2; Column length: 5. m; Phase thickness: 2.65 μm |
Kovats' RI, polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | PEG-20M | 130. | 1569. | Huber, Kenndler, et al., 1993 | Column length: 10. m; Phase thickness: 1.33 μm |
Capillary | PEG-20M | 150. | 1584. | Huber, Kenndler, et al., 1993 | Column length: 10. m; Phase thickness: 1.33 μm |
Capillary | PEG-20M | 130. | 1569.1 | Huber, Kenndler, et al., 1993 | Column length: 10. m; Phase thickness: 1.33 μm |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-1 | 782. | Hancock and Peters, 1991 | He, 50. C @ 2. min, 10. K/min; Column length: 15. m; Column diameter: 0.53 mm |
Capillary | DB-5 | 820.1 | Hancock and Peters, 1991 | He, 50. C @ 2. min, 10. K/min; Column length: 15. m; Column diameter: 0.53 mm |
Capillary | DB-5 | 820.5 | Hancock and Peters, 1991 | He, 50. C @ 2. min, 10. K/min; Column length: 15. m; Column diameter: 0.53 mm |
Capillary | DB-5 | 829.2 | Hancock and Peters, 1991 | He, 50. C @ 2. min, 10. K/min; Column length: 15. m; Column diameter: 0.53 mm |
Capillary | DB-1 | 786.6 | D'Agostino and Provost, 1985 | 15. m/0.32 mm/0.25 μm, He, 50. C @ 2. min, 10. K/min, 300. C @ 5. min |
Van Den Dool and Kratz RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Stabilwax | 1560. | Cros, Lignot, et al., 2005 | 60. m/0.25 mm/0.25 μm, He, 40. C @ 5. min, 3. K/min, 240. C @ 10. min |
Capillary | Stabilwax | 1560. | Cros, Vandanjon, et al., 2003 | 60. m/0.25 mm/0.25 μm, He, 40. C @ 5. min, 3. K/min, 240. C @ 10. min |
Capillary | Supelcowax-10 | 1563. | 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 | 1582.3 | D'Agostino and Provost, 1985 | 15. m/0.32 mm/0.25 μm, He, 50. C @ 2. min, 10. K/min, 250. C @ 5. min |
Normal alkane RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | OV-101 | 790. | Zenkevich, 2005 | 25. m/0.20 mm/0.10 μm, N2/He, 6. K/min; Tstart: 50. C; Tend: 250. C |
Capillary | HP-1 | 772. | Valette, Fernandez, et al., 2003 | 50. m/0.2 mm/0.5 μm, He, 2. K/min, 220. C @ 40. min; Tstart: 60. C |
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | CP-Sil5 CB MS | 780. | Iraqi, Vermeulen, et al., 2005 | 50. m/0.32 mm/1.2 μm; Program: 36C(2min) => 20C/min => 85C => 1C/min => 145C => 3C/min => 250C(30min) |
Capillary | SPB-5 | 827. | Begnaud, Pérès, et al., 2003 | 60. m/0.32 mm/1. μm; Program: not specified |
Capillary | SPB-1 | 784. | Flanagan, Streete, et al., 1997 | 60. m/0.53 mm/5. μm, He; Program: 40C(6min) => 5C/min => 80C => 10C/min => 200C |
Capillary | SPB-1 | 784. | Strete, Ruprah, et al., 1992 | 60. m/0.53 mm/5.0 μm, Helium; Program: 40 0C (6 min) 5 0C/min -> 80 0C 10 0C/min -> 200 0C |
Capillary | OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc. | 787. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
Normal alkane RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | HP-Innowax | 1603. | Puvipirom and Chaisei, 2012 | 15. m/0.32 mm/0.50 μm, Helium, 3. K/min; Tstart: 40. C; Tend: 250. C |
Capillary | HP-Innowax | 1582. | Soria, Sanz, et al., 2008 | 50. m/0.20 mm/0.20 μm, Helium, 45. C @ 2. min, 4. K/min, 190. C @ 50. min |
Capillary | Stabilwax | 1560. | Cros, Vandanjon, et al., 2007 | 60. m/0.25 mm/0.25 μm, Helium, 40. C @ 5. min, 3. K/min, 240. C @ 10. min |
Capillary | RTX-Wax | 1569. | Prososki, Etzel, et al., 2007 | 30. m/0.25 mm/0.5 μm, He, 40. C @ 5. min, 10. K/min, 220. C @ 10. min |
Capillary | HP-Innowax | 1596. | Soria, Gonzalez, et al., 2004 | 50. m/0.2 mm/0.2 μm, He, 45. C @ 2. min, 4. K/min, 190. C @ 50. min |
Capillary | Stabilwax | 1560. | Cros, Vandanjon, et al., 2003, 2 | 60. m/0.25 mm/0.25 μm, Helium, 40. C @ 5. min, 3. K/min, 240. C @ 10. min |
Capillary | DB-Wax | 1553. | Wei, Mura, et al., 2001 | 60. m/0.25 mm/0.25 μm, He, 2. K/min; Tstart: 40. C; Tend: 200. C |
Capillary | DB-Wax | 1595. | Iwatsuki, Mizota, et al., 1999 | 4. K/min; Column length: 30. m; Column diameter: 0.53 mm; Tstart: 60. C; Tend: 210. C |
Normal alkane RI, polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | SOLGel-Wax | 1576. | Johanningsmeier and McFeeters, 2011 | 30. m/0.25 mm/0.25 μm, Helium; Program: 40 0C (2 min) 5 0C/min -> 140 0C 10 0C/min -> 250 0C (3 min) |
Capillary | SOLGel-Wax | 1582. | Johanningsmeier and McFeeters, 2011 | 30. m/0.25 mm/0.25 μm, Helium; Program: not specified |
Capillary | DB-FFAP | 1553. | Mebazaa, Mahmoudi, et al., 2009 | 30. m/0.25 mm/0.25 μm, Helium; Program: 50 0C 2 0C/min -> 100 0C (5 min) 5 0C/min -> 250 0C |
Capillary | DB-FFAP | 1549. | Mebazaa, Mahmoudi, et al., 2009 | 30. m/0.25 mm/0.25 μm, Helium; Program: not specified |
Capillary | CP-Wax 52 CB | 1550. | Kaack and Christensen, 2008 | 50. m/0.25 mm/0.29 μm, Helium; Program: 33 0C (1 min) 2 0C/min -> 130 0C 10 0C/min -> 220 0C |
Capillary | DB-Wax | 1579. | Kim. J.H., Ahn, et al., 2004 | 60. m/0.25 mm/0.25 μm, Helium; Program: 60 0C (3 min) 2 0C/min -> 150 0C 4 0C/min -> 200 0C |
Capillary | Carbowax 20M | 1554. | Vinogradov, 2004 | Program: not specified |
References
Go To: Top, IR Spectrum, 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.
Huber, Kenndler, et al., 1993
Huber, J.F.K.; Kenndler, E.; Reich, G.; Hack, W.; Wolf, J.,
Optimal Selection of Gas Chromatographic Columns for the Analytical Control of Chemical Warfare Agents by Application of Information Theory to Retention Data,
Anal. Chem., 1993, 65, 20, 2903-2906, https://doi.org/10.1021/ac00068a031
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Hancock and Peters, 1991
Hancock, J.R.; Peters, G.R.,
Retention index monitoring of compounds of chemical defence interest using thermal desorption gas chromatography,
J. Chromatogr., 1991, 538, 2, 249-257, https://doi.org/10.1016/S0021-9673(01)88845-2
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D'Agostino and Provost, 1985
D'Agostino, P.A.; Provost, L.R.,
Gas chromatographic retention indices of chemical warfare agents and simulants,
J. Chromatogr., 1985, 331, 47-54, https://doi.org/10.1016/0021-9673(85)80005-4
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Cros, Lignot, et al., 2005
Cros, S.; Lignot, B.; Bourseau, P.; Jaouen, P.; Prost, C.,
Desalination of mussel cooking juices by electrodialysis: effect on the aroma profile,
J. Food Eng., 2005, 69, 4, 425-436, https://doi.org/10.1016/j.jfoodeng.2004.08.036
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Cros, Vandanjon, et al., 2003
Cros, S.; Vandanjon, L.; Jaouen, P.; Bourseau, P.,
Processing of industrial mussel cooking juices by reverse osmosis: pollution abatement and aromas recovery, 2003, retrieved from http://www.membrane.unsw.edu.au/imstec03/content/papers/DAI/imstec064.pdf. [all data]
Chung, 1999
Chung, H.Y.,
Volatile components in crabmeats of Charybdis feriatus,
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Zenkevich, 2005
Zenkevich, I.G.,
Experimentally measured retention indices., 2005. [all data]
Valette, Fernandez, et al., 2003
Valette, L.; Fernandez, X.; Poulain, S.; Loiseau, A.-M.; Lizzani-Cuvelier, L.; Levieil, R.; Restier, L.,
Volatile constituents from Romanesco cauliflower,
Food Chem., 2003, 80, 3, 353-358, https://doi.org/10.1016/S0308-8146(02)00272-8
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Iraqi, Vermeulen, et al., 2005
Iraqi, R.; Vermeulen, C.; Benzekri, A.; Bouseta, A.; Collin, S.,
Screening for key odorants in Moroccan green olives by gas chromatography-olfactometry/aroma extract dilution analysis,
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Begnaud, Pérès, et al., 2003
Begnaud, F.; Pérès, C.; Berdagué, J.-L.,
Characterization of volatile effluents of livestock buildings by solid-phase microextraction,
Int. J. Environ. Anal. Chem., 2003, 83, 10, 837-849, https://doi.org/10.1080/03067310310001603349
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Flanagan, Streete, et al., 1997
Flanagan, R.J.; Streete, P.J.; Ramsey, J.D.,
Volatile Substance Abuse, UNODC Technical Series, No 5, United Nations, Office on Drugs and Crime, Vienna International Centre, PO Box 500, A-1400 Vienna, Austria, 1997, 56, retrieved from http://www.odccp.org/pdf/technicalseries1997-01-011.pdf. [all data]
Strete, Ruprah, et al., 1992
Strete, P.J.; Ruprah, M.; Ramsey, J.D.; Flanagan, R.J.,
Detection and identification of volatile substances by headspace capillary gas chromatography to aid the diagnosis of acute poisoning,
Analyst, 1992, 117, 7, 1111-1127, https://doi.org/10.1039/an9921701111
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Waggott and Davies, 1984
Waggott, A.; Davies, I.W.,
Identification of organic pollutants using linear temperature programmed retention indices (LTPRIs) - Part II, 1984, retrieved from http://dwi.defra.gov.uk/research/completed-research/reports/dwi0383.pdf. [all data]
Puvipirom and Chaisei, 2012
Puvipirom, J.; Chaisei, S.,
Contribution of roasted grains and seeds in aroma of oleang (Thai coffee drink),
Int. Food Res. J., 2012, 19, 2, 583-588. [all data]
Soria, Sanz, et al., 2008
Soria, A.C.; Sanz, J.; Martinez-Castro, I.,
SPME followed by GC-MS: a powerful technique for qualitative analysis of honey volatiles,
Eur. Food Res. Technol., 2008, 1-12. [all data]
Cros, Vandanjon, et al., 2007
Cros, S.; Vandanjon, L.; Jaouen, P.; Bourseau, P.,
Processing of Industrial Mussel Cooking Juices by Reverse Osmotis: Pollution Abatement and Aromas Recovery, 2007, retrieved from title of Internet file: [imstec064]. [all data]
Prososki, Etzel, et al., 2007
Prososki, R.A.; Etzel, M.R.; Rankin, S.A.,
Solvent type affects the number, distribution, and relative quantities of volatile compounds found in sweet whey powder,
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Soria, Gonzalez, et al., 2004
Soria, A.C.; Gonzalez, M.; de Lorenzo, C.; Martinez-Castro, I.; Sanza, J.,
Characterization of artisanal honeys from Madrid (Central Spain) on the basis of their melissopalynological, physicochemical and volatile composition data,
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Cros, Vandanjon, et al., 2003, 2
Cros, S.; Vandanjon, L.; Jaouen, P.; Bourseau, P.,
IMSTEC'03 Conference Proceedings, Processing of industrial mussel cooking juices by reverse osmosis: pollution abatement and aromas recovery, Universoty of New South Wales, Sydney, Australia, 2003, 6. [all data]
Wei, Mura, et al., 2001
Wei, A.; Mura, K.; Shibamoto, T.,
Antioxidative activity of volatile chemicals extracted from beer,
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Iwatsuki, Mizota, et al., 1999
Iwatsuki, K.; Mizota, Y.; Kubota, T.; Nishimura, O.; Masuda, H.; Sotoyama, K.; Tomita, M.,
Aroma extract dilution analysis. Evluation of aroma of pasteurized and UHT processed milk by aroma extract dilution analysis,
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Johanningsmeier and McFeeters, 2011
Johanningsmeier, S.D.; McFeeters, R.F.,
Detection of volatile spoilage metabolites in fermented cucumbers using nontargeted, comprehensive 2-dimensional gas chromatography-time-of-flight mass spectrometry (GCxGCxTOFMS),
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Mebazaa, Mahmoudi, et al., 2009
Mebazaa, R.; Mahmoudi, A.; Fouchet, M.; Dos Santos, M.; Kamissoko, F.; Nafti, A.; Ben Cheikh, R.; Rega, B.; Camel, V.,
Characterization of volatile compounds in Tunisian fenugreek seeds,
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Kaack and Christensen, 2008
Kaack, K.; Christensen, L.P.,
Effect of packing materials and storage time on volatile compounds in tea processes from flowers of black elder (Sambucus nigra L.),
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Kim. J.H., Ahn, et al., 2004
Kim. J.H.; Ahn, H.J.; Yook, H.S.; Kim, K.S.; Rhee, M.S.; Ryu, G.H.; Byun, M.W.,
Color, flavor, and sensory characteristics of gamma-irradiated salted and fermented anchovy sauce,
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Vinogradov, 2004
Vinogradov, B.A.,
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Notes
Go To: Top, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, References
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