Ethanol, 2-(methylthio)-
- Formula: C3H8OS
- Molecular weight: 92.160
- IUPAC Standard InChI: InChI=1S/C3H8OS/c1-5-3-2-4/h4H,2-3H2,1H3
- IUPAC Standard InChIKey: WBBPRCNXBQTYLF-UHFFFAOYSA-N
- CAS Registry Number: 5271-38-5
- 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. - Other names: Hydroxyethyl methyl sulfide; β-Hydroxyethyl methyl sulfide; 2-Hydroxyethyl methyl sulfide; Methyl 2-hydroxyethyl sulfide; S-Methylmercaptoethanol; β-Methylmercaptoethanol; 2-Methylmercaptoethanol; β-(Methylthio)ethanol; 2-(Methylthio)ethanol; 1-Hydroxy-2-(methylthio)-ethane; 2-MethyIthioethanol; NSC 1902
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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 | CP Wax 52 CB | DB-Wax | DB-Wax | DB-Wax | DB-Wax |
| Column length (m) | 30. | 60. | 30. | 30. | 60. |
| Carrier gas | Helium | He | He | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.25 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.50 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 40. | 40. | 50. | 50. | 40. |
| Tend (C) | 230. | 220. | 220. | 220. | 200. |
| Heat rate (K/min) | 4. | 3. | 4. | 4. | 2. |
| Initial hold (min) | 2. | 10. | 4. | 4. | 2. |
| Final hold (min) | 15. | 10. | 20. | 20. | |
| I | 1531. | 1520. | 1523. | 1526. | 1516. |
| Reference | Birtic, Ginies, et al., 2009 | Hayata, Sakamoto, et al., 2002 | Osorio, Duque, et al., 2002 | Osorio, Duque, et al., 2002 | Umano, Hagi, et al., 2002 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary |
|---|---|---|---|
| Active phase | DB-Wax | DB-Wax | HP-Innowax |
| Column length (m) | 30. | 60. | 30. |
| Carrier gas | He | He | N2 |
| Substrate | |||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 50. | 40. | 40. |
| Tend (C) | 180. | 200. | 190. |
| Heat rate (K/min) | 3. | 2. | 4. |
| Initial hold (min) | 2. | 3. | |
| Final hold (min) | 40. | 10. | |
| I | 1533. | 1526. | 1537. |
| Reference | Lee and Shibamoto, 2000 | Umano, Nakahara, et al., 1999 | Kubec, Drhová, et al., 1998 |
| Comment | 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.
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
. [all data]
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,
J. Jpn. Soc. Hortic. Sci., 2002, 71, 4, 517-525, https://doi.org/10.2503/jjshs.71.517
. [all data]
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,
J. Sep. Sci., 2002, 25, 3, 147-154, https://doi.org/10.1002/1615-9314(20020201)25:3<147::AID-JSSC147>3.0.CO;2-G
. [all data]
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]
Lee and Shibamoto, 2000
Lee, K.-G.; Shibamoto, T.,
Antioxidant properties of aroma compounds isolated from soybeans and mung beans,
J. Agric. Food Chem., 2000, 48, 9, 4290-4293, https://doi.org/10.1021/jf000442u
. [all data]
Umano, Nakahara, et al., 1999
Umano, K.; Nakahara, K.; Shoji, A.; Shibamoto, T.,
Aroma chemicals isolated and identified from leaves of aloe arborescens Mill. Var. natalensis Berger,
J. Agric. Food Chem., 1999, 47, 9, 3702-3705, https://doi.org/10.1021/jf990116i
. [all data]
Kubec, Drhová, et al., 1998
Kubec, R.; Drhová, V.; Velísek, J.,
Thermal degradation of S-methylcysteine and its sulfoxide-important flavor precursors of Bassica and Allium vegetables,
J. Agric. Food Chem., 1998, 46, 10, 4334-4340, https://doi.org/10.1021/jf980379x
. [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
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