2-mercaptoethyl acetate
- Formula: C4H8O2S
- Molecular weight: 120.170
- IUPAC Standard InChI: InChI=1S/C4H8O2S/c1-4(5)6-2-3-7/h7H,2-3H2,1H3
- IUPAC Standard InChIKey: YDLAHBBJAGGIJZ-UHFFFAOYSA-N
- CAS Registry Number: 5862-40-8
- 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. - Species with the same structure:
- Other names: Acetic acid, 2-mercaptoethyl ester
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IR Spectrum
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: Coblentz Society, Inc.
Condensed Phase Spectrum
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Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.
Additional Data
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| Owner | COPYRIGHT (C) 1988 by COBLENTZ SOCIETY INC. Collection (C) 2018 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
|---|---|
| Origin | DOW CHEMICAL COMPANY |
| Source reference | COBLENTZ NO. 7166 |
| Date | 1965/02/16 |
| Name(s) | 2-sulfanylethyl acetate |
| State | SOLUTION (10% CCl4 FOR 3800-1330, 10% CS2 FOR 1330-400 CM-1) |
| Instrument | DOW KBr FOREPRISM-GRATING |
| Instrument parameters | BLAZED AT 3.5, 12.0, 20.0 MICRON AND CHANGED AT 5.0, 7.5, 14.9 MICRON |
| Path length | 0.012 CM, 0.011 CM SPECTRAL CONTAMINATION DUE TO CCl4 AROUND 1550, 850 CM-1 HAVE BEEN SUBTRACTED SPECTRAL CONTAMINATION DUE TO AN UNKNOWN AROUND 400 CM-1 |
| Resolution | 2 |
| Sampling procedure | TRANSMISSION |
| Data processing | DIGITIZED BY COBLENTZ SOCIETY (BATCH I) FROM HARD COPY |
| Boiling point | 57 C AT 10 mmHg |
Gas Chromatography
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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 | CP Sil 5 CB | 887. | Vermeulen, Lejeune, et al., 2006 | 50. m/0.32 mm/1.2 μm; Program: 40C(4min) => 2C/min => 132C => 10C/min => 250C (15min) |
Normal alkane RI, polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | FFAP | 1444. | Vermeulen, Lejeune, et al., 2006 | 25. m/0.32 mm/0.3 μm; Program: 40C(4min) => 2C/min => 132C => 10C/min => 250C (15min) |
References
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Vermeulen, Lejeune, et al., 2006
Vermeulen, C.; Lejeune, I.; Tran, T.T.H.; Collin, S.,
Occurrence of polyfunctional thiols in fresh lager beers,
J. Agric. Food Chem., 2006, 54, 14, 5061-5068, https://doi.org/10.1021/jf060669a
. [all data]
Notes
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- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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