Benthiocarb

Formula: C₁₂H₁₆ClNOS
Molecular weight: 257.780
IUPAC Standard InChI: InChI=1S/C12H16ClNOS/c1-3-14(4-2)12(15)16-9-10-5-7-11(13)8-6-10/h5-8H,3-4,9H2,1-2H3
IUPAC Standard InChIKey: QHTQREMOGMZHJV-UHFFFAOYSA-N
CAS Registry Number: 28249-77-6
Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
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Other names: Carbamothioic acid, diethyl-, S-[(4-chlorophenyl)methyl] ester; Carbamic acid, diethylthio-, S-(p-chlorobenzyl) ester; p-Chlorobenzyl diethylthiolcarbamate; p-Chlorobenzyl N,N-diethylthiolcarbamate; B 3015; IMC 3950; S-(p-Chlorobenzyl) diethylthiocarbamate; S-(4-Chlorobenzyl) diethylthiolcarbamate; S-(4-Chlorobenzyl) N,N-diethylthiocarbamate; Saturn; Thiobencarb; Bolero; S-((4-Chlorophenyl)methyl)diethylcarbamothioate; Saturno; Siacarb; Thiobencarbe; S-(4-Chlorobenzyl) diethylthiocarbamate; Saturn (pesticide)
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Other data available:
- IR Spectrum
- Mass spectrum (electron ionization)
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Gas Chromatography

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Kovats' RI, non-polar column, temperature ramp

Column type	Active phase	I	Reference	Comment
Capillary	DB-1	1938.	Hall, Whitehead, et al., 1986	He, 6. K/min; Column length: 15. m; Column diameter: 0.25 mm; T_start: 100. C; T_end: 270. C
Capillary	DB-5	1974.	Hall, Whitehead, et al., 1986	He, 6. K/min; Column length: 15. m; Column diameter: 0.25 mm; T_start: 100. C; T_end: 270. C

Kovats' RI, non-polar column, custom temperature program

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Column type	Active phase	I	Reference	Comment
Capillary	HP-5	1974.	Tanabe, Mitobe, et al., 2000	30. m/0.32 mm/0.25 μm; Program: 50C(1min) => 20C/min => 150C => 10C/min => 280C(4min)
Capillary	DB-5MS	1983.	Tanabe, Mitobe, et al., 1996	30. m/0.32 mm/0.25 μm; Program: 50 C(1min)->20C/min->200C->10C/min->280C (1.5min)

Van Den Dool and Kratz RI, non-polar column, custom temperature program

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Column type	Active phase	I	Reference	Comment
Capillary	5 % Phenyl methyl siloxane	1966.	Yasuhara, Shiraishi, et al., 1997	25. m/0.31 mm/0.52 μm, He; Program: 50C(2min) => (20C/min) => 120C => (7C/min) => 310C(10min)

Normal alkane RI, non-polar column, temperature ramp

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Column type	Active phase	I	Reference	Comment
Capillary	HP-5	1991.	Murayama, Mukai, et al., 2000	30. m/0.32 mm/0.25 μm, 50. C @ 1. min, 10. K/min, 300. C @ 4. min

Normal alkane RI, non-polar column, custom temperature program

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Column type	Active phase	I	Reference	Comment
Capillary	5 % Phenyl methyl siloxane	1983.	Department of Food Safety and Welfare, 2006	30. m/0.25 mm/0.25 μm, Helium; Program: 50 0C(1 min) 25 0C/min -> 125 0C 10 0C/min -> 300 0C (10 min)
Capillary	5 % Phenyl methyl siloxane	1985.	Department of Food Safety and Welfare, 2006	30. m/0.25 mm/0.25 μm, Helium; Program: 50 0C(1 min) 25 0C/min -> 125 0C 10 0C/min -> 300 0C (10 min)
Capillary	HP-5	1974.	Kawara, Asada, et al., 2005	30. m/0.25 mm/0.25 μm; Program: 50 0C (1 min) 20 0C/min -> 150 0C 10 0C/min -> 280 0C

References

Go To: Top, Gas Chromatography, Notes

Hall, Whitehead, et al., 1986
Hall, G.L.; Whitehead, W.E.; Mourer, C.R.; Shibamoto, T., A new gas chromatographic retention index for pesticides and related compounds, J. Hi. Res. Chromatogr. Chromatogr. Comm., 1986, 9, 5, 266-271, https://doi.org/10.1002/jhrc.1240090503 . [all data]

Tanabe, Mitobe, et al., 2000
Tanabe, A.; Mitobe, H.; Kawata, K.; Sakai, M.; Yasuhara, A., New monitoring system for ninety pesticides and related compounds in river water by solid-phase extraction with determination by gas chromatography/mass spectrometry, J. AOAC Int., 2000, 83, 1, 61-77. [all data]

Tanabe, Mitobe, et al., 1996
Tanabe, A.; Mitobe, H.; Kawata, K.; Sakai, M., Monitoring of herbicides in river water by gas chromatography-mass spectrometry and solid-phase extraction, J. Chromatogr. A, 1996, 754, 1-2, 159-168, https://doi.org/10.1016/S0021-9673(96)00221-X . [all data]

Yasuhara, Shiraishi, et al., 1997
Yasuhara, A.; Shiraishi, H.; Nishikawa, M.; Yamamoto, T.; Uehiro, T.; Nakasugi, O.; Okumura, T.; Kenmotsu, K.; Fukui, H.; Nagase, M.; Ono, Y.; Kawagoshi, Y.; Baba, K.; Noma, Y., Determination of organic components in leachates from hazardous waste disposal sites in Japan by gas chromatography-mass spectrometry, J. Chromatogr. A, 1997, 774, 1-2, 321-332, https://doi.org/10.1016/S0021-9673(97)00078-2 . [all data]

Murayama, Mukai, et al., 2000
Murayama, H.; Mukai, H.; Mitobe, H.; Moriyama, N., Simple method for determining trace pesticides in air using extraction disks, Anal. Sci., 2000, 16, 3, 257-263, retrieved from http://wwwsoc.nii.ac.;p/jsac/analsci/pdfs/a16₀257.pdf, https://doi.org/10.2116/analsci.16.257 . [all data]

Department of Food Safety and Welfare, 2006
Department of Food Safety, Ministry of Health; Welfare, Analytical methods for residual compositional substances of agricultural chemicals, feed aadditives, and veterinary drugs in foods, 2006, retrieved from http://www.mhlw.go.jp/english/topics/foodsafety/positivelist060228/de/060526-1a.pdf. [all data]

Kawara, Asada, et al., 2005
Kawara, K.; Asada, T.; Oikawa, K.; Tanabe, A., Multiresidue determination of pesticides in sediments by ultrasonically assisted extraction and gas chromatography/mass spectrometry, J. AOAC International, 2005, 88, 5, 1440-1451. [all data]

Notes

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Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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