Disulfide, dipropyl
- Formula: C6H14S2
- Molecular weight: 150.305
- IUPAC Standard InChIKey: ALVPFGSHPUPROW-UHFFFAOYSA-N
- CAS Registry Number: 629-19-6
- 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: Propyl disulfide; Dipropyl disulfide; 4,5-Dithiaoctane; Dipropyl disulphide; (n-C3H7S)2; n-Propyl disulfide; di-n-Propyl disulfide; 1-(Propyldisulfanyl)propane; NSC 75122
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Gas phase ion energetics data
Go To: Top, Mass spectrum (electron ionization), UV/Visible 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 as indicated in comments:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
8.62 | PE | Wagner and Bock, 1974 | Vertical value; LLK |
8.62 | PE | Bock, Wagner, et al., 1972 | Vertical value; LLK |
Mass spectrum (electron ionization)
Go To: Top, Gas phase ion energetics data, UV/Visible 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
View image of digitized spectrum (can be printed in landscape orientation).
Due to licensing restrictions, this spectrum cannot be downloaded.
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 | Japan AIST/NIMC Database- Spectrum MS-NW-1258 |
NIST MS number | 233697 |
UV/Visible spectrum
Go To: Top, Gas phase ion energetics data, Mass spectrum (electron ionization), Gas Chromatography, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Spectrum
Notice: This spectrum may be better viewed with a Javascript and HTML 5 enabled browser.
Additional Data
View image of digitized spectrum (can be printed in landscape orientation).
View spectrum image in SVG format.
Download spectrum in JCAMP-DX format.
Source | Bol'shakov, et al., 1969 |
---|---|
Owner | INEP CP RAS, NIST OSRD Collection (C) 2007 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
Origin | INSTITUTE OF ENERGY PROBLEMS OF CHEMICAL PHYSICS, RAS |
Source reference | RAS UV No. 20135 |
Instrument | unknown |
Boiling point | 193.5 |
Gas Chromatography
Go To: Top, Gas phase ion energetics data, Mass spectrum (electron ionization), UV/Visible spectrum, 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 | DB-5 | 100. | 1110.9 | Miller and Bruno, 2003 | 30. m/0.25 mm/0.1 μm |
Capillary | DB-5 | 120. | 1118.4 | Miller and Bruno, 2003 | 30. m/0.25 mm/0.1 μm |
Capillary | DB-5 | 60. | 1098.0 | Miller and Bruno, 2003 | 30. m/0.25 mm/0.1 μm |
Capillary | DB-5 | 80. | 1104.6 | Miller and Bruno, 2003 | 30. m/0.25 mm/0.1 μm |
Capillary | OV-101 | 130. | 1102. | Misharina and Golovnya, 1989 | He; Column length: 50. m; Column diameter: 0.32 mm |
Packed | Apiezon M | 130. | 1115. | Garbuzov, Misharina, et al., 1985 | He or N2, Chromosorb W, AW-DMCS; Column length: 2.1 m |
Packed | SE-30 | 110. | 1105. | Möckel and Zolg, 1977 | Chromosorb W AW (80-100 mesh); Column length: 2. m |
Packed | DC-200 | 120. | 1104. | Golovnya and Arsen'ev, 1970 | Column length: 1.5 m |
Packed | SE-30 | 130. | 1104. | Golovnya and Arsen'ev, 1970 | Column length: 1.5 m |
Kovats' RI, polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Packed | Carbowax 20M | 110. | 1398. | Möckel and Zolg, 1977 | He, Chromosorb W AW (80-100 mesh); Column length: 6. m |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | ZB-5 | 1115. | Gocmen, Gurbuz, et al., 2004 | 0. m/0.32 mm/0.5 μm, 7. K/min, 265. C @ 5. min; Tstart: 40. C |
Capillary | DB-1 | 1094. | 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-1 | 1082. | Johnson, Urso, et al., 1997 | 30. m/0.2 mm/0.25 μm, 50. C @ 2. min, 5. K/min, 300. C @ 5. min |
Capillary | Ultra-1 | 1083.9 | Farkas, Hradský, et al., 1992 | 25. m/0.2 mm/0.33 μm, H2, 2. K/min; Tstart: 60. C; Tend: 230. C |
Capillary | HP-1 | 1090. | Kuo and Ho, 1992 | 50. m/0.32 mm/1.05 μm, He, 2. K/min; Tstart: 40. C; Tend: 260. C |
Capillary | HP-1 | 1094. | Kuo and Ho, 1992, 2 | 50. m/0.32 mm/1.05 μm, He, 2. K/min; Tstart: 40. C; Tend: 260. C |
Capillary | OV-101 | 1093. | 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 | 1095. | Schreyen, Dirinck, et al., 1976 | 1. K/min; Column length: 183. m; Column diameter: 0.762 mm; Tstart: 0. C; Tend: 230. C |
Capillary | OV-1 | 1092. | Schreyen, Dirinck, et al., 1976, 2 | 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 | SPB-1 | 1092. | 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) |
Capillary | DB-5 | 1107. | Triqui and Reineccius, 1995 | 30. m/0.25 mm/1. μm, He; Program: 35C (2min) => 40C/min => 50C (1min) => 6C/min => 250C (10min) |
Van Den Dool and Kratz RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-Wax | 1378. | Aromdee and Sriubolmas, 2006 | 30. m/0.25 mm/0.25 μm, He, 40. C @ 5. min, 3. K/min, 250. C @ 10. min |
Capillary | DB-Wax | 1378. | Gocmen, Gurbuz, et al., 2004 | 0. m/0.32 mm/0.5 μm, 7. K/min, 240. C @ 5. min; Tstart: 40. C |
Capillary | DB-Wax | 1387. | 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 | 1365. | 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 | 1421. | 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 | 1387. | 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 | DB-Wax | 1377. | 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 | HP-Innowax | 1413. | Schulz, Krüger, et al., 1998 | 60. m/0.25 mm/0.5 μm, H2, 4. K/min; Tstart: 80. C; Tend: 220. C |
Normal alkane RI, non-polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | Polydimethyl siloxane with 5 % Ph groups | 100. | 1111. | Safa and Hadjmohannadi, 2005 | 30. m/0.25 mm/0.10 μm, Nitrogen |
Capillary | Polydimethyl siloxane with 5 % Ph groups | 120. | 1118. | Safa and Hadjmohannadi, 2005 | 30. m/0.25 mm/0.10 μm, Nitrogen |
Capillary | Polydimethyl siloxane with 5 % Ph groups | 60. | 1098. | Safa and Hadjmohannadi, 2005 | 30. m/0.25 mm/0.10 μm, Nitrogen |
Capillary | Polydimethyl siloxane with 5 % Ph groups | 80. | 1105. | Safa and Hadjmohannadi, 2005 | 30. m/0.25 mm/0.10 μm, Nitrogen |
Normal alkane RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | HP-5MS | 1098. | Sadraei, Ghannadi, et al., 2003 | 30. m/0.25 mm/0.25 μm, He, 4. K/min; Tstart: 60. C; Tend: 275. C |
Capillary | RSL-200 | 1094. | 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 | HP-5 | 1109. | Kubec, Drhová, et al., 1999 | 30. m/0.25 mm/0.25 μm, N2, 40. C @ 3. min, 4. K/min, 240. C @ 10. min |
Capillary | DB-5 | 1107. | Sinha, Guyer, et al., 1992 | He, 2. K/min; Column length: 30. m; Column diameter: 0.2 mm; Tstart: 30. C; Tend: 200. C |
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | HP-5 MS | 1088. | 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 | 1093. | Vinogradov, 2004 | Program: not specified |
Capillary | SE-30 | 1096. | Vinogradov, 2004 | Program: not specified |
Capillary | Apieson M | 1115. | Gao, Wang, et al., 2003 | Program: not specified |
Capillary | OV-101 | 1096. | Zenkevich and Malamakhov, 1987 | He; Column length: 50. m; Column diameter: 0.24 mm; Program: not specified |
Normal alkane RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Supelcowax-10 | 1375. | 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 | 1390. | Chyau and Mau, 2001 | 60. m/0.32 mm/0.25 μm, 50. C @ 5. min, 1.5 K/min, 210. C @ 10. min |
Capillary | HP-Innowax | 1374. | Kubec, Drhová, et al., 1999 | 30. m/0.25 mm/0.25 μm, He, 40. C @ 3. min, 4. K/min, 190. C @ 10. min |
Capillary | CP-Wax 52CB | 1390. | Chyau, Lin, et al., 1997 | 50. m/0.32 mm/0.25 μm, He, 50. C @ 5. min, 1.5 K/min, 210. C @ 10. min |
Normal alkane RI, polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-Wax | 1377. | Gyawali and Kim, 2012 | 60. m/0.20 mm/0.25 μm, Helium; Program: 40 0C (3 min) 2 0C/min -> 150 0C 4 0C/min -> 220 0C (20 min) 5 0C/min -> 230 0C |
Capillary | DB-Wax | 1356. | 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 | 1358. | Vinogradov, 2004 | Program: not specified |
Capillary | PEG-1000 | 1418. | Gao, Wang, et al., 2003 | Program: not specified |
Capillary | CP-Wax 52CB | 1375. | Jakobsen, Hansen, et al., 1998 | 50. m/0.25 mm/0.2 μm, He; Program: 30C (1.5min) => 3C/min => 120C => 10C/min => 220C (3.5min) |
Capillary | DB-Wax | 1377. | Peng, Yang, et al., 1991 | Program: not specified |
References
Go To: Top, Gas phase ion energetics data, Mass spectrum (electron ionization), UV/Visible spectrum, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Wagner and Bock, 1974
Wagner, G.; Bock, H.,
Photoelektronenspektren und molekuleigenschaften, XXVI. Die delokalisation von schwefel-elektronenpaaren in alkylsulfiden und -disulfiden,
Chem. Ber., 1974, 107, 68. [all data]
Bock, Wagner, et al., 1972
Bock, H.; Wagner, G.; Kroner, J.,
Photoelektronenspektren und molekuleigenschaften, XIV. Die delokalisation des schwefel-elektronenpaar in CH3S-substituierten aromaten,
Chem. Ber., 1972, 105, 3850. [all data]
Bol'shakov, et al., 1969
Bol'shakov, G.F., et al.,
Ultraviolet spectra of heteroorganic compounds, 1969, 142. [all data]
Miller and Bruno, 2003
Miller, K.E.; Bruno, T.J.,
Isothermal Kováts retention indices of sulfur compounds on a poly(5% diphenyl-95% dimethylsiloxane) stationary phase,
J. Chromatogr. A, 2003, 1007, 1-2, 117-125, https://doi.org/10.1016/S0021-9673(03)00958-0
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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,
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Möckel and Zolg, 1977
Möckel, H.J.; Zolg, M.,
Retentionsindices n-aliphatischer Schwefelverbindungen,
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Golovnya and Arsen'ev, 1970
Golovnya, R.V.; Arsen'ev, Y.N.,
Gas-chromatographic method for the analysis of n-mercaptans and symmetrical n-sulfides and n-disulfides,
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Gocmen, D.; Gurbuz, O.; Rouseff, R.L.; Smoot, J.M.; Dagdelen, A.F.,
Gas chromatographic-olfactometric characterization of aroma active compounds in sun-dried and vacuum-dried tarhana,
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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),
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Broad spectrum analysis of municipal and industrial effluents discharged into the Peace, Athabasca and Slave river basins: characterization of effluent samples, 1994 - Volume 1 of 2, Northern River Basins Study Project Report No. 121, Norther River Basins Study, Edmonton, Alberta, 1997, 27. [all data]
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Farkas, P.; Hradský, P.; Kovác, M.,
Novel flavour components identified in the steamn distillate of onion (Allium cepa L.),
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Volatile constituents of the distilled oils of Welsh onions (Allium fistulosum L. variety Maichuon) and scallions (Allium fistulosum L. variety Caespitosum),
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Kuo and Ho, 1992, 2
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Volatile constituents of the solvent extracts of Welsh onions (Allium fistulosum L. variety Maichuon) and scallions (A. fistulosum L. variety caepitosum),
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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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Effects of various oils on volatile compounds of deep-fried shallot flavouring,
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Storage stability of deep-fried shallot flavoring,
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Gyawali and Kim, 2012
Gyawali, R.; Kim, K.-S.,
Bioactive volatile compounds of three medicinal plants from Nepal,
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Kim. J.H., Ahn, et al., 2004
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Jakobsen, Hansen, et al., 1998
Jakobsen, H.B.; Hansen, M.; Christensen, M.R.; Brockhoff, P.B.; Olsen, C.E.,
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Peng, Yang, et al., 1991
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. [all data]
Notes
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- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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