Mycotox
- Formula: C8H5Cl3O2
- Molecular weight: 239.483
- IUPAC Standard InChI: InChI=1S/C8H5Cl3O2/c1-4(12)13-8-3-6(10)5(9)2-7(8)11/h2-3H,1H3
- IUPAC Standard InChIKey: IRMIPIZHLIHQST-UHFFFAOYSA-N
- CAS Registry Number: 5393-75-9
- 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: Phenol, 2,4,5-trichloro-, acetate; Seedox; Seedox 50; 2,4,5-Trichlorophenol acetate; 2,4,5-Trichlorophenyl acetate
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IR Spectrum
Go To: Top, Mass spectrum (electron ionization), 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: 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 | 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. 5695 |
| Date | 1963/03/20 |
| Name(s) | 2,4,5-trichlorophenyl acetate |
| State | SOLUTION (10% CCl4 FOR 2.6-7.5, 10% CS2 FOR 7.5-26) |
| 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 | 0.011 CM, 0.011 CM SPECTRAL CONTAMINATION DUE TO CS2 AROUND 400, AND CCl4 AROUND 1550 CM-1 HAVE BEEN SUBTRACTED |
| Resolution | 2 |
| Sampling procedure | TRANSMISSION |
| Data processing | DIGITIZED BY COBLENTZ SOCIETY (BATCH I) FROM HARD COPY |
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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| 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 | TNO Volatile Compounds in Food - Chemical Concepts |
| NIST MS number | 250221 |
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
Kovats' RI, non-polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Capillary | SE-30 | 160. | 1481. | Evans and Haken, 1989 | Column length: 25. m; Column diameter: 0.32 mm |
| Capillary | OV-101 | 160. | 1481. | Haken and Korhonen, 1983 | N2; Column length: 25. m; Column diameter: 0.22 mm |
| Capillary | OV-101 | 180. | 1511. | Haken and Korhonen, 1983 | N2; Column length: 25. m; Column diameter: 0.22 mm |
Kovats' RI, polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Capillary | OV-351 | 160. | 2133. | Evans and Haken, 1989 | Column length: 25. m; Column diameter: 0.32 mm |
References
Go To: Top, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Evans and Haken, 1989
Evans, M.B.; Haken, J.K.,
Dispersion and selectivity indices in gas chromatography. IV. Chlorinated aromatic compounds,
J. Chromatogr., 1989, 468, 373-382, https://doi.org/10.1016/S0021-9673(00)96332-5
. [all data]
Haken and Korhonen, 1983
Haken, J.K.; Korhonen, I.O.O.,
Gas chromatography of homologous esters. XXI. Capillary column studies of the chlorinated phenyl acetates,
J. Chromatogr., 1983, 257, 267-273, https://doi.org/10.1016/S0021-9673(01)88182-6
. [all data]
Notes
Go To: Top, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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