Phorate

Formula: C₇H₁₇O₂PS₃
Molecular weight: 260.377
IUPAC Standard InChI: InChI=1S/C7H17O2PS3/c1-4-8-10(11,9-5-2)13-7-12-6-3/h4-7H2,1-3H3
IUPAC Standard InChIKey: BULVZWIRKLYCBC-UHFFFAOYSA-N
CAS Registry Number: 298-02-2
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: Phosphorodithioic acid, O,O-diethyl S-[(ethylthio)methyl] ester; American Cyanamid 3,911; Experimental Insecticide 3911; ENT 24,042; L 11/6; O,O-Diethyl S-Ethylmercaptomethyl dithiophosphate; O,O-Diethyl S-ethylthiomethyl dithiophosphate; O,O-Diethyl S-[(ethylthio)methyl] phosphorodithioate; Phorate 10G; Thimate; Thimet; Thimet G; Thimet 10G; Timet; AC 3911; O,O-Diaethyl-S-(aethylthio-methyl)-dithiophosphat; O,O-Diethyl-S-(ethylthio-methyl)-dithiofosfaat; O,O-Diethyl S-ethylthiomethyl dithiophosphonate; O,O-Diethyl ethylthiomethyl phosphorodithioate; O,O-Diethyl S-ethylthiomethyl thiothionophosphate; O,O-Dietil-S-(etiltio-metil)-ditiofosfato; Dithiophosphate de O,O-diethyle et D'ethylthiomethyle; EI3911; Foraat; Granutox; Methanethiol, (ethylthio)-, S-ester with O,O-diethyl phosphorodithioic acid; Phorat; Rampart; Rcra waste number P094; Thimenox; Vegfru; Agrimet; Forate; Geomet; Vegfru foratox; Volphor; VUAgT 182
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Normal alkane RI, non-polar column, custom temperature program

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

Column type	Capillary	Capillary	Capillary	Other
Active phase	5 % Phenyl methyl siloxane	5 % Phenyl methyl siloxane	Ultra-1	Methyl Silicone
Column length (m)	30.	30.
Carrier gas	Helium	Helium
Substrate
Column diameter (mm)	0.25	0.25
Phase thickness (μm)	0.25	0.25
Program	50 0C(1 min) 25 0C/min -> 125 0C 10 0C/min -> 300 0C (10 min)	50 0C(1 min) 25 0C/min -> 125 0C 10 0C/min -> 300 0C (10 min)	not specified	not specified
I	1703.	1700.	1641.	1675.
Reference	Department of Food Safety and Welfare, 2006	Department of Food Safety and Welfare, 2006	Tameo and Kiyos, 1991	Ardrey and Moffat, 1981
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

References

Go To: Top, Normal alkane RI, non-polar column, custom temperature program, Notes

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]

Tameo and Kiyos, 1991
Tameo, O.; Kiyos, I., Simultaneous determination of pesticides by capillary gas chromatography, Cannot be traslated (in Japan), 1991, 14, 2, 109-122. [all data]

Ardrey and Moffat, 1981
Ardrey, R.E.; Moffat, A.C., Gas-liquid chromatographic retention indices of 1318 substances of toxicological interest on SE-30 or OV-1 stationary phase, J. Chromatogr., 1981, 220, 3, 195-252, https://doi.org/10.1016/S0021-9673(00)81925-1 . [all data]

Notes

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Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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