1-Propanol, 3-(methylthio)-
- Formula: C4H10OS
- Molecular weight: 106.187
- 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)
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Normal alkane 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 | Polydimethyl siloxane with 5 % Ph groups | Polydimethyl siloxane with 5 % Ph groups | HP-5 MS | DB-5 | Nonpolar |
Column length (m) | 30. | 30. | |||
Carrier gas | Helium | Hydrogen | |||
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | |||
Phase thickness (μm) | 0.25 | 0.50 | |||
Program | not specified | not specified | not specified | 40 0C (5 min) 4 0C/min -> 100 0C 6 0C/min -> 220 0C (20 min) | not specified |
I | 982. | 989. | 980. | 977. | 978. |
Reference | Robinson, Adams, et al., 2012 | Robinson, Adams, et al., 2012 | Pino, Marquez, et al., 2010 | San-Juan, Petka, et al., 2010 | Staples and Zeiger, 2008 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP-5 | SE-54 | HP-1 | HP-5MS | MFE-73 |
Column length (m) | 30. | 25. | 30. | ||
Carrier gas | He | He | He | H2 | |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.2 | 0.25 | ||
Phase thickness (μm) | 0.25 | 0.11 | 0.25 | ||
Program | 50C => 3C/min => 200C(10min) => 10C/min => 290C(10min) | 40C(2min) => 40C/min => 50C(2min) => 6C/min => 180C => 15C/min => 230C (10min) | 35C(3min) => 4C/min => 190C => 30C/min => 225C(3min) | 40C(5min) => 2C/min => 120C => 10C/min => 210C (30min) | not specified |
I | 972. | 978. | 941. | 978. | 977. |
Reference | Splivallo, Bossi, et al., 2007 | Buettner, 2004 | Carpino, Mallia, et al., 2004 | Martí, Mestres, et al., 2003 | Ferreira, Ortín, et al., 2002 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|
Active phase | MFE-73 | MFE-73 | CP Sil 5 CB | DB-5 |
Column length (m) | 30. | 30. | 50. | 30. |
Carrier gas | H2 | H2 | He | |
Substrate | ||||
Column diameter (mm) | 0.32 | 0.32 | 0.32 | 0.32 |
Phase thickness (μm) | 0.1 | 0.1 | 1.2 | 0.25 |
Program | 40C(5min) => 2C/min => 120C => 10C/min => 210C(30min) | 40 C (5min) => 2C/min => 120C => 10 C/min => 210 C (30min) | 33C (16.5min) => 2C/min => 160C => 20C/min => 200C (9min) | 35C (1min) => 40C/min => 60C (1min) => 6C/min => 250C (10min) |
I | 977. | 977. | 950. | 982. |
Reference | Aznar, López, et al., 2001 | Ferreira, Aznar, et al., 2001 | Gijs, Piraprez, et al., 2000 | Guth, 1997 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane 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.
Robinson, Adams, et al., 2012
Robinson, A.L.; Adams, D.O.; Boss, P.K.; Heymann, H.; Solomon, P.S.; Trengove, R.D.,
Influence of geographic origine on the sensory characteristics and wine composition of Vitus viniferas cv. Cabernet Sauvignon wines from Australia (Supplemental data),
Am. J. Enol. Vitic., 2012, 64, 4, 467-476, https://doi.org/10.5344/ajev.2012.12023
. [all data]
Pino, Marquez, et al., 2010
Pino, J.A.; Marquez, E.; Quijano, C.E.; Castro, D.,
Volatile compounds in noni (Morinda citrifolia L.) at two ripening stages,
Ciencia e Technologia de Alimentos, 2010, 30, 1, 183-187, https://doi.org/10.1590/S0101-20612010000100028
. [all data]
San-Juan, Petka, et al., 2010
San-Juan, F.; Petka, J.; Cacho, J.; Ferreira, V.; Escudero, A.,
Producing headspace extracts for the gas chromatography - olphactometric evaluation of wine aroma,
Food Chemistry, 2010, 123, 1, 188-195, https://doi.org/10.1016/j.foodchem.2010.03.129
. [all data]
Staples and Zeiger, 2008
Staples, E.; Zeiger, K.,
On-Site Measurements of VOCs and Odors from Metal Casting Operations Using an Ultra-Fast Gas Chromatograph, 2008, retrieved from http://www.estcal.com/TechPapers/Industrial/FoundryOdors.doc. [all data]
Splivallo, Bossi, et al., 2007
Splivallo, R.; Bossi, S.; Maffei, M.; Bonfante, P.,
Discrimination of truffle fruiting body versus mycelial aromas by stir bar sorptive extraction,
Phytochemistry, 2007, 68, 20, 2584-2598, https://doi.org/10.1016/j.phytochem.2007.03.030
. [all data]
Buettner, 2004
Buettner, A.,
Investigation of potent odorants and afterodor development in two chardonnay wines using the Buccal Odor Screening System (BOSS),
J. Agric. Food Chem., 2004, 52, 8, 2339-2346, https://doi.org/10.1021/jf035322b
. [all data]
Carpino, Mallia, et al., 2004
Carpino, S.; Mallia, S.; La Terra, S.; Melilli, C.; Licitra, G.; Acree, T.E.; Barbano, D.M.; van Soest, P.J.,
Composition and aroma compounds of ragusano cheese: native pasture and total mixed rations,
J. Dairy Sci., 2004, 87, 4, 816-830, https://doi.org/10.3168/jds.S0022-0302(04)73226-9
. [all data]
Martí, Mestres, et al., 2003
Martí, M.P.; Mestres, M.; Sala, C.; Busto, O.; Guasch, J.,
Solid-phase microextraction and gas chromatography olfactometry analysis of successively diluted samples. A new approach of the aroma extract dilution analysis applied to the characterization of wine aroma,
J. Agric. Food Chem., 2003, 51, 27, 7861-7865, https://doi.org/10.1021/jf0345604
. [all data]
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
. [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
. [all data]
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
. [all data]
Gijs, Piraprez, et al., 2000
Gijs, L.; Piraprez, G.; Perpète, P.; Spinnler, E.; Collin, S.,
Retention of sulfur flavours by food matrix and determination of sensorial data independent of the medium composition,
Food Chem., 2000, 69, 3, 319-330, https://doi.org/10.1016/S0956-7135(99)00111-5
. [all data]
Guth, 1997
Guth, H.,
Identification of character impact odorants of different white wine varieties,
J. Agric. Food Chem., 1997, 45, 8, 3022-3026, https://doi.org/10.1021/jf9608433
. [all data]
Notes
Go To: Top, Normal alkane RI, non-polar column, custom temperature program, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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