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
The 3d structure may be viewed using Java or Javascript.
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
Permanent link for this species. Use this link for bookmarking this species for future reference.
Information on this page:
Other data available:
Options:
- Switch to calorie-based units

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	1688.	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	1705.	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

View large format table.

Column type	Active phase	I	Reference	Comment
Packed	SE-30	1675.	Ramsey, Lee, et al., 1980	He, Chromosorb G HP (80-100 mesh); Column length: 1.5 m; Program: not specified

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

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	SLB-5MS	1686.	Mondello, Casilli, et al., 2007	30. m/0.25 mm/0.25 μm, He, 2. K/min; T_start: 70. C; T_end: 300. C
Capillary	SLB-5MS	1691.	Mondello, Casilli, et al., 2007	30. m/0.25 mm/0.25 μm, He, 2. K/min; T_start: 70. C; T_end: 300. C

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

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	5 % Phenyl methyl siloxane	1703.	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	1700.	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	Ultra-1	1641.	Tameo and Kiyos, 1991	Program: not specified
Other	Methyl Silicone	1675.	Ardrey and Moffat, 1981	Program: not specified

Normal alkane RI, polar column, custom temperature program

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	Carbowax 20M	2335.	Tameo and Kiyos, 1991	Program: not specified

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]

Ramsey, Lee, et al., 1980
Ramsey, J.D.; Lee, T.D.; Osselton, M.D.; Moffat, A.C., Gas-liquid chromatographic retention indices of 296 non-drug substances on SE-30 or OV-1 likely to be encountered in toxicological analyses, J. Chromatogr., 1980, 184, 2, 185-206, https://doi.org/10.1016/S0021-9673(00)85641-1 . [all data]

Mondello, Casilli, et al., 2007
Mondello, L.; Casilli, A.; Tranchida, P.Q.; Presti, M.L.; Dugo, P.; Dugo, G., Comprehensive gas chromatography coupled to mass spectrometry for the separation of pesticides in a very complex matrix, Anal. Bioanal. Chem., 2007, 389, 6, 1755-1763, https://doi.org/10.1007/s00216-007-1412-y . [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]

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

Go To: Top, Gas Chromatography, References

Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
Customer support for NIST Standard Reference Data products.