1-Propanol, 3-(methylthio)-
- Formula: C4H10OS
- Molecular weight: 106.187
- IUPAC Standard InChI: InChI=1S/C4H10OS/c1-6-4-2-3-5/h5H,2-4H2,1H3
- IUPAC Standard InChIKey: CZUGFKJYCPYHHV-UHFFFAOYSA-N
- CAS Registry Number: 505-10-2
- 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: γ-Methylmercaptopropyl alcohol; 3-(Methylthio)-1-propanol; 3-Hydroxypropyl methyl sulfide; 3-Methylmercapto-1-propanol; 3-(Methylthio)propanol; 3-(Methylsulfanyl)propanol; 3-Methylthiopropyl alcohol; Methionol; NSC 2859; 3-(methylsulfanyl)propanol (methionol)
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Other data available:
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Normal alkane RI, polar column, temperature ramp
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-FFAP | HP-FFAP | HP-FFAP | AT-Wax | DB-Wax |
| Column length (m) | 25. | 25. | 25. | 60. | 60. |
| Carrier gas | Helium | Helium | Helium | Helium | Helium |
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.32 | 0.32 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.50 | 0.50 | 0.50 | 0.25 | 0.25 |
| Tstart (C) | 45. | 45. | 45. | 60. | 50. |
| Tend (C) | 220. | 220. | 220. | 280. | 220. |
| Heat rate (K/min) | 15. | 15. | 15. | 4. | 3. |
| Initial hold (min) | 2. | ||||
| Final hold (min) | 20. | ||||
| I | 1742. | 1744. | 1744. | 1733. | 1694. |
| Reference | Wanakhachornkrai and Lertsiri, 9999 | Wanakhachornkrai and Lertsiri, 9999 | Wanakhachornkrai and Lertsiri, 9999 | Kiss, Csoka, et al., 2011 | Onishi, Inoue, et al., 2011 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | VF-Wax MS | CP Wax 52 CB | Innowax | DB-Wax | DB-Wax |
| Column length (m) | 60. | 30. | 30. | 30. | 15. |
| Carrier gas | Helium | Helium | He | He | |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.32 | 0.25 | 0.25 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.50 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 60. | 40. | 40. | 40. | 40. |
| Tend (C) | 220. | 230. | 200. | 230. | 230. |
| Heat rate (K/min) | 3. | 4. | 10. | 4. | 6. |
| Initial hold (min) | 5. | 2. | 5. | 2. | |
| Final hold (min) | 25. | 15. | 15. | 5. | 20. |
| I | 1715. | 1717. | 1727. | 1695. | 1704. |
| Reference | Duarte, Dias, et al., 2010 | Birtic, Ginies, et al., 2009 | Kaypak and Avsar, 2008 | Xu, Fan, et al., 2007 | Kishimoto, Wanikawa, et al., 2006 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | HP-Innowax | DB-Wax Etr | DB-Wax | DB-Wax | DB-Wax |
| Column length (m) | 30. | 30. | 30. | 30. | 30. |
| Carrier gas | He | He | H2 | H2 | He |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.32 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.5 | 0.25 | 0.5 | 0.5 | 0.25 |
| Tstart (C) | 40. | 40. | 40. | 50. | 40. |
| Tend (C) | 200. | 220. | 200. | 200. | 185. |
| Heat rate (K/min) | 2. | 2. | 4. | 3. | 4. |
| Initial hold (min) | 3. | 1. | 5. | 10. | 4. |
| Final hold (min) | 15. | 10. | 10. | 20. | |
| I | 1704. | 1748. | 1745. | 1730. | 1714. |
| Reference | Komes, Ulrich, et al., 2006 | Perestrelo, Fernandes, et al., 2006 | Culleré, Escudero, et al., 2004 | Alves and Franco, 2003 | Lee and Noble, 2003 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-Wax | HP-FFAP | HP-FFAP | HP-FFAP | DB-Wax |
| Column length (m) | 30. | 25. | 25. | 25. | 30. |
| Carrier gas | H2 | He | He | He | H2 |
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.32 | 0.32 | 0.32 | 0.32 |
| Phase thickness (μm) | 0.5 | 0.5 | 0.5 | 0.5 | 0.5 |
| Tstart (C) | 40. | 45. | 45. | 45. | 40. |
| Tend (C) | 200. | 220. | 220. | 220. | 200. |
| Heat rate (K/min) | 4. | 15. | 15. | 15. | 4. |
| Initial hold (min) | 5. | 5. | |||
| Final hold (min) | |||||
| I | 1744. | 1744. | 1744. | 1742. | 1737. |
| Reference | López, Ortín, et al., 2003 | Wanakhachornkrai and Lertsiri, 2003 | Wanakhachornkrai and Lertsiri, 2003 | Wanakhachornkrai and Lertsiri, 2003 | Ferreira, Ortín, et al., 2002 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-Wax | DB-Wax | DB-Wax | DB-Wax | DB-Wax |
| Column length (m) | 60. | 30. | 30. | 60. | 30. |
| Carrier gas | He | He | He | He | H2 |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.5 |
| Tstart (C) | 40. | 50. | 50. | 40. | 40. |
| Tend (C) | 220. | 220. | 220. | 200. | 200. |
| Heat rate (K/min) | 3. | 4. | 4. | 2. | 4. |
| Initial hold (min) | 10. | 4. | 4. | 2. | 5. |
| Final hold (min) | 10. | 20. | 20. | 60. | |
| I | 1721. | 1710. | 1714. | 1708. | 1738. |
| Reference | Hayata, Sakamoto, et al., 2002 | Osorio, Duque, et al., 2002 | Osorio, Duque, et al., 2002 | Umano, Hagi, et al., 2002 | Aznar, López, et al., 2001 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-Wax | DB-Wax | DB-Wax | DB-Wax | DB-Wax |
| Column length (m) | 30. | 30. | 30. | 30. | 30. |
| Carrier gas | H2 | H2 | H2 | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.32 | 0.32 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.5 | 0.5 | 0.5 | 0.25 | 0.25 |
| Tstart (C) | 40. | 60. | 60. | 50. | 50. |
| Tend (C) | 200. | 245. | 245. | 240. | 240. |
| Heat rate (K/min) | 4. | 3. | 3. | 4. | 4. |
| Initial hold (min) | 5. | 3. | 3. | 3. | 3. |
| Final hold (min) | 60. | 20. | 20. | 10. | 10. |
| I | 1738. | 1715. | 1715. | 1702. | 1710. |
| Reference | Ferreira, Aznar, et al., 2001 | Kotseridis and Baumes, 2000 | Kotseridis and Baumes, 2000 | Parada, Duque, et al., 2000 | Parada, Duque, et al., 2000 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | Carbowax 20M | HP-Innowax | DB-Wax | DB-Wax | DB-Wax |
| Column length (m) | 60. | 25. | 30. | 30. | 60. |
| Carrier gas | He | He | He | He | |
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.32 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.5 | 0.25 | 0.25 | ||
| Tstart (C) | 40. | 35. | 50. | 50. | 50. |
| Tend (C) | 190. | 250. | 240. | 240. | 200. |
| Heat rate (K/min) | 2. | 4. | 4. | 4. | 3. |
| Initial hold (min) | 5. | 3. | 3. | ||
| Final hold (min) | 10. | 10. | 40. | ||
| I | 1714. | 1708. | 1702. | 1710. | 1734. |
| Reference | Lopez, Ferreira, et al., 1999 | Ong, Acree, et al., 1998 | Parada and Duque, 1998 | Parada and Duque, 1998 | Wada and Shibamoto, 1997 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | PEG-20M | Supelcowax-10 | Supelcowax-10 | Supelcowax-10 | Carbowax 20M |
| Column length (m) | 50. | 90. | 60. | 60. | 50. |
| Carrier gas | Nitrogen | He | He | ||
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.75 | 0.75 | 0.33 |
| Phase thickness (μm) | 0.25 | 0.25 | 1. | 1. | |
| Tstart (C) | 60. | 35. | 80. | 80. | 60. |
| Tend (C) | 180. | 220. | 200. | 200. | 200. |
| Heat rate (K/min) | 2. | 2. | 2. | 2. | 3. |
| Initial hold (min) | 20. | 5. | 5. | ||
| Final hold (min) | 30. | ||||
| I | 1676. | 1763. | 1727. | 1731. | 1725. |
| Reference | Kubota, Matsujage, et al., 1996 | Girard and Lau, 1995 | Miranda-López, Libbey, et al., 1992 | Miranda-López, Libbey, et al., 1992 | Vernin, Metzger, et al., 1992 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane RI, polar column, temperature ramp, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Wanakhachornkrai and Lertsiri, 9999
Wanakhachornkrai, P.; Lertsiri, S.,
Comparison of determination method for volatile compounds in Thai soy sauce,
Analytical, Nutritional and Clinical Methods, 9999, 1-11. [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,
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Onishi, Inoue, et al., 2011
Onishi, M.; Inoue, M.; Araki, T.; Iwabuchi, H.; Sagara, Y.,
Odorant transfer characteristics of white bread during baking,
Biosci Biotechnol. Biochem., 2011, 75, 2, 261-267, https://doi.org/10.1271/bbb.100572
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Duarte, Dias, et al., 2010
Duarte, W.F.; Dias, D.R.; Oliveira, J.M.; Teixeira, J.A.; de Almeida e Silva, J.B.; Schwan, R.F.,
Characterization of different fruit wines made from cacao,cupuassu, gabiroba, jaboticaba and umbu,
Food Sci. Technol., 2010, 43, 1564-1572. [all data]
Birtic, Ginies, et al., 2009
Birtic, S.; Ginies, C.; Causse, M.; Renard, C.M.G.C.; Page, D.,
Changes in volatiles and glycosides during fruit maturartion of two contrasted tomato (Solanum lycopersicum) lines,
J. Agric. Food Chem., 2009, 57, 2, 591-598, https://doi.org/10.1021/jf8023062
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Kaypak and Avsar, 2008
Kaypak, D.; Avsar, Y.K.,
Volatile and odor-active compounds of tuzlu yoghurt,
Asian J. Chem., 2008, 20, 5, 3641-3648. [all data]
Xu, Fan, et al., 2007
Xu, Y.; Fan, W.; Qian, M.C.,
Characterization of Aroma Compounds in Apple Cider Using Solvent-Assisted Flavor Evaporation and Headspace Solid-Phase Microextraction,
J. Agric. Food Chem., 2007, 55, 8, 3051-3057, https://doi.org/10.1021/jf0631732
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Kishimoto, Wanikawa, et al., 2006
Kishimoto, T.; Wanikawa, A.; Kono, K.; Shibata, K.,
Comparison of the Odor-Active Compounds in Unhopped Beer and Beers Hopped with Different Hop Varieties,
J. Agric. Food Chem., 2006, 54, 23, 8855-8861, https://doi.org/10.1021/jf061342c
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Komes, Ulrich, et al., 2006
Komes, D.; Ulrich, D.; Lovric, T.,
Characterization of odor-active compounds in Croatian Rhine Riesling wine, subregion Zagorje,
Eur. Food Res. Technol., 2006, 222, 1-2, 1-7, https://doi.org/10.1007/s00217-005-0094-y
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Perestrelo, Fernandes, et al., 2006
Perestrelo, R.; Fernandes, A.; Albuquerque, F.F.; Marques, J.C.; Camara, J.S.,
Analytical characterization of the aroma of Tinta Negra Mole red wine: Identification of the main odorants compounds,
Anal. Chim. Acta., 2006, 563, 1-2, 154-164, https://doi.org/10.1016/j.aca.2005.10.023
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Culleré, Escudero, et al., 2004
Culleré, L.; Escudero, A.; Cacho, J.; Ferreira, V.,
Gas chromatography-olfactometry and chemical quantitative study of the aroma of six premium auality Spanish aged red wines,
J. Agric. Food Chem., 2004, 52, 6, 1653-1660, https://doi.org/10.1021/jf0350820
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Alves and Franco, 2003
Alves, G.L.; Franco, M.R.B.,
Headspace gas chromatography-mass spectrometry of volatile compounds in murici (Byrsonima crassifolia L. Rich),
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Lee and Noble, 2003
Lee, S.-J.; Noble, A.C.,
Characterization of odor-active compounds in Californian Chardonnay wines using GC-olfactometry and GC-mass spectrometry,
J. Agric. Food Chem., 2003, 51, 27, 8036-8044, https://doi.org/10.1021/jf034747v
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López, Ortín, et al., 2003
López, R.; Ortín, N.; Pérez-Trujillo, J.P.; Cacho, J.; Ferreira, V.,
Impact odorants of different young white wines from the Canary islands,
J. Agric. Food Chem., 2003, 51, 11, 3419-3425, https://doi.org/10.1021/jf026045w
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Wanakhachornkrai and Lertsiri, 2003
Wanakhachornkrai, P.; Lertsiri, S.,
Analytical, nutritional, and clinical methods. Comparison of determination method for volatile compounds in Thai soy sauce,
Food Chem., 2003, 83, 4, 619-629, https://doi.org/10.1016/S0308-8146(03)00256-5
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Ferreira, Ortín, et al., 2002
Ferreira, V.; Ortín, N.; Escudero, A.; López, R.; Cacho, J.,
Chemical characterization of the aroma of grenache Rosé wines: aroma extract dilution analysis, quantitative determination, and sensory reconstitution studies,
J. Agric. Food Chem., 2002, 50, 14, 4048-4054, https://doi.org/10.1021/jf0115645
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Hayata, Sakamoto, et al., 2002
Hayata, Y.; Sakamoto, T.; Kozuka, H.; Sakamoto, K.; Osajima, Y.,
Analysis of aromatic volatile compounds in 'Miyabi' melon (Cucumis melo L.) using the Porapak Q column,
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Osorio, Duque, et al., 2002
Osorio, C.; Duque, C.; Suarez, M.; Salamanca, L.E.; Uruena, F.,
Free, glycosidically bound, and phosphate bound flavor constituents of badea (Passiflora quadrangularis) fruit pulp,
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Umano, Hagi, et al., 2002
Umano, K.; Hagi, Y.; Shibamoto, T.,
Volatile chemicals identified in extracts from newly hybrid citrus, dekopon (Shiranuhi mandarin Suppl. J.),
J. Agric. Food Chem., 2002, 50, 19, 5355-5359, https://doi.org/10.1021/jf0203951
. [all data]
Aznar, López, et al., 2001
Aznar, M.; López, R.; Cacho, J.F.; Ferreira, V.,
Identification and quantification of impact odorants of aged red wines from Rioja. GC-olfactometry, quantitative GC-MS, and odor evaluation of HPLC fractions,
J. Agric. Food Chem., 2001, 49, 6, 2924-2929, https://doi.org/10.1021/jf001372u
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Ferreira, Aznar, et al., 2001
Ferreira, V.; Aznar, M.; López, R.; Cacho, J.,
Quantitative gas chromatography-olfactometry carried out at different dilutions of an extract. Differences in the odor profiles of four high-quality spanish aged red wines,
J. Agric. Food Chem., 2001, 49, 10, 4818-4824, https://doi.org/10.1021/jf010283u
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Kotseridis and Baumes, 2000
Kotseridis, Y.; Baumes, R.,
Identification of impact odorants in Bordeaux red grape juice, in the commercial yeast used for its fermentation, and in the produced wine,
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Parada, Duque, et al., 2000
Parada, F.; Duque, C.; Fujimoto, Y.,
Free and bound volatile composition and characterization of some glucoconjugates as aroma precursors in Melón de olor fruit pulp (Sicana odorifera),
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Lopez, Ferreira, et al., 1999
Lopez, R.; Ferreira, V.; Hernandez, P.; Cacho, J.F.,
Identification of impact odorants of young red wines made with Merlot, Cabernet Sauvignon and Grenache grape varieties: a comparative study,
J. Sci. Food Agric., 1999, 79, 11, 1461-1467, https://doi.org/10.1002/(SICI)1097-0010(199908)79:11<1461::AID-JSFA388>3.0.CO;2-K
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Ong, Acree, et al., 1998
Ong, P.K.C.; Acree, T.E.; Lavin, E.H.,
Characterization of volatiles in rambutan fruit (Nephelium lappaceum L.),
J. Agric. Food Chem., 1998, 46, 2, 611-615, https://doi.org/10.1021/jf970665t
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Parada and Duque, 1998
Parada, F.; Duque, C.,
Studies on the aroma of piñuela fruit pulp (Bromelia plumieri): Free and bound volatile composition and characterization of some glucoconjugates as aroma precursors,
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Wada and Shibamoto, 1997
Wada, K.; Shibamoto, T.,
Isolation and identification of volatile compounds from a wine using solid phase extraction, gas chromatography, and gas chromatography/mass spectrometry,
J. Agric. Food Chem., 1997, 45, 11, 4362-4366, https://doi.org/10.1021/jf970157j
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Kubota, Matsujage, et al., 1996
Kubota, K.; Matsujage, Y.; Sekiwa, Y.; Kobayashi, A.,
Identification of the characteristic volatile flavor compounds formed by cooking squid (Todarodes pacificus Steenstrup),
Food Sci. Technol., 1996, 2, 3, 163-166. [all data]
Girard and Lau, 1995
Girard, B.; Lau, O.L.,
Effect of maturity and storage on quality and volatile production of 'Jonagold' apples,
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Miranda-López, Libbey, et al., 1992
Miranda-López, R.; Libbey, L.M.; Watson, B.T.; McDaniel, M.R.,
Research note. Identificatiohn of additional odor-active compounds in Pinot noir wines,
Am. J. Enol. Vitic, 1992, 43, 1, 90-92. [all data]
Vernin, Metzger, et al., 1992
Vernin, G.; Metzger, J.; Boniface, C.; Murello, M.-H.; Siouffi, A.; Larice, J.-L.; Parkanyi, C.,
Kinetics and thermal degradation of the fructose-methionine Amadori intermediates. GC-MS/SPECMA data bank identification of volatile aroma compounds,
Carbohyd. Res., 1992, 230, 1, 15-29, https://doi.org/10.1016/S0008-6215(00)90510-X
. [all data]
Notes
Go To: Top, Normal alkane RI, polar column, temperature ramp, References
- Symbols used in this document:
Tend Final temperature Tstart Initial temperature - 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.
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