Phenethyl mercaptan
- Formula: C8H10S
- Molecular weight: 138.230
- IUPAC Standard InChI: InChI=1S/C8H10S/c9-7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2
- IUPAC Standard InChIKey: ZMRFRBHYXOQLDK-UHFFFAOYSA-N
- CAS Registry Number: 4410-99-5
- 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: 2-Phenylethanethiol; β-Phenylethyl mercaptan; 2-Phenylethyl mercaptan; Benzeneethanethiol; Phenylethylthiol; 2-Phenylethylthiol
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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: Except where noted, spectra from this collection were measured on dispersive instruments, often in carefully selected solvents, and hence may differ in detail from measurements on FTIR instruments or in other chemical environments. More information on the manner in which spectra in this collection were collected can be found here.
Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.
Additional Data
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| Owner | COBLENTZ SOCIETY 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. 4332 |
| Date | Not specified, most likely prior to 1970 |
| Name(s) | 2-phenylethyl hydrosulfide 2-phenylethanethiol |
| State | SOLUTION (10% IN CCl4 FOR 3800-1330 AND 10% IN CS2 FOR 1330-400 CM-1) |
| Instrument | Not specified, most likely a prism, grating, or hybrid spectrometer. |
| Path length | 0.010 AND 0.010 CM SPECTRAL CONTAMINATION DUE TO CCl4 AROUND 1550 CM-1 |
| Resolution | 4 |
| Sampling procedure | TRANSMISSION |
| Data processing | DIGITIZED BY NIST FROM HARD COPY (FROM TWO SEGMENTS) |
Mass spectrum (electron ionization)
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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
Spectrum
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Additional Data
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Due to licensing restrictions, this spectrum cannot be downloaded.
| Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
|---|---|
| Origin | Dr. Jiri Zamecnik, DCIEM, North York, Canada, GP Library |
| NIST MS number | 122424 |
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.
No reference data available.
Notes
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- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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