2,5-Dimethyl-3-furanthiol
- Formula: C6H8OS
- Molecular weight: 128.192
- IUPAC Standard InChI: InChI=1S/C6H8OS/c1-4-3-6(8)5(2)7-4/h3,8H,1-2H3
- IUPAC Standard InChIKey: DBBHCZMXKBCICL-UHFFFAOYSA-N
- CAS Registry Number: 55764-23-3
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
View 3d structure (requires JavaScript / HTML 5) - Other names: 2,5-dimethylfuran-3-thiol; 3-Furanthiol, 2,5-dimethyl-
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Gas phase ion energetics data
Go To: Top, 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: Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
Ionization energy determinations
| IE (eV) | Method | Reference |
|---|---|---|
| 8.23 ± 0.05 | EI | Cederlund, Lantz, et al., 1977 |
Gas Chromatography
Go To: Top, Gas phase ion energetics data, 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
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | RTX-1 | 951. | ChromTech Pty Ltd, 2006 | Program: not specified |
| Capillary | RTX-5 | 968. | ChromTech Pty Ltd, 2006 | Program: not specified |
| Capillary | DB-5 | 968. | Acree and Arn, 2004 | Program: not specified |
| Capillary | OV-101 | 951. | Acree and Arn, 1997 | Program: not specified |
References
Go To: Top, Gas phase ion energetics data, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Cederlund, Lantz, et al., 1977
Cederlund, B.; Lantz, R.; Hornfeldt, A.-B.; Thorstad, O.; Undheim, K.,
Preparation of some thiophene-, selenophene- and furanthiols. Ionisation potentials in tautomer analysis,
Acta Chem. Scand. Ser. B:, 1977, 31, 198. [all data]
ChromTech Pty Ltd, 2006
ChromTech Pty Ltd,
Retention Data: Rtx-1, Rtx-5, Rtx-50, Rtx-Stab Kovats RI, 2006, retrieved from http://www.chromtech.net.au/pdf/RI-Flavors-20M.pdf. [all data]
Acree and Arn, 2004
Acree, T.; Arn, H.,
Flavornet, 2004, retrieved from http://www.flavornet.org/. [all data]
Acree and Arn, 1997
Acree, T.; Arn, H.,
Cornell University Flavornet, 1997, retrieved from http://www.flavornet.org/flavornet.html. [all data]
Notes
Go To: Top, Gas phase ion energetics data, Gas Chromatography, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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