Demeton
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Product Description
Product
Demeton
CAS
8065-48-3
Formula
C16H38O6P2S4; C8H19O3PS2.C8H19O3PS2
Synonym
Demeton; Demeton-O + demeton-S; Demox; Diethoxy thiophosphoric acid ester of 2-ethylmercaptoethanol; Diethoxythiophosphoric acid ester of 2-ethylmercaptoethanol; diethoxythiophosphoricacidesterof2-ethylmercaptoethanol; diethyls-(2-(ethylthio)ethyl)ester(7:3); diethyls-(2-(ethylthio)ethyl)phosphorothioate(7:3); E 1059; ENT 17,295; EPA Pesticide Chemical Code 057601; Ethyl systox; HSDB 201; Mercaptofos; Mercaptophos; Mixture of O-Demeton and S-Demeton; O,O-Diethyl 2-ethylmercaptoethyl thiophosphate; O,O-Diethyl O(and S)-2-(ethylthio)ethyl phosphorothioate mixture; O-Demeton and S-Demeton; Phosphorothioic acid, O,O-diethyl O-(2-(ethylthio)ethyl) ester, mixed with O,O-diethyl S-(2-(ethylthio)ethyl) phosphorothioate (7:3); Phosphorothioic acid, O,O-diethyl O-(2-(ethylthio)ethyl) ester, mixt. with O,O-diethyl S-(2-(ethylthio)ethyl) phosphorothioate; Septox; Superlist Names Demeton; Systemox; Systox; ULV; UNII-F74QXK6K3Q; 1059; BAY 10756; bay10756; Bayer 8169; beta-Ethylmercaptoethyl diethyl thionophosphate; beta-ethylmercaptoethyldiethylthionophosphate; Caswell No. 279; CCRIS 918; dematon
Typical Product Specifications
Molecular weight
516.68
SMILES
P(=O)(OCC)(OCC)SCCSCC.P(=S)(OCC)(OCC)OCCSCC
InChI
1S/2C8H19O3PS2/c1-4-10-12(9,11-5-2)14-8-7-13-6-3;1-4-9-12(13,10-5-2)11-7-8-14-6-3/h2*4-8H2,1-3H3
InChIKey
FAXIJTUDSBIMHY-UHFFFAOYSA-N
Water solubility
666 mg/L
Vapor Pressure
1.30E-03 mm Hg
Henry's Law Constant
3.82E-06 atm-m3/mole
Atmospheric OH Rate Constant
1.33E-10 cm3/molecule-sec
log P (octanol-water)
3.210
Molecular weight
330.36
EINECS
204-497-7
InChI
1S/C10H19O6PS2/c1-5-15-9(11)7-8(10(12)16-6-2)19-17(18,13-3)14-4/h8H,5-7H2,1-4H3
InChIKey
JXSJBGJIGXNWCI-UHFFFAOYSA-N
Atmospheric OH Rate Constant
7.74E-11 cm3/molecule-sec
Henry's Law Constant
4.89E-09 atm-m3/mole
Melting Point
2.8 ° C
Vapor Pressure
3.38E-06 mm Hg
log P (octanol-water)
2.36
Water solubility
143 mg/L
Water solubility
0.0145 g/100 mL
Stability
Stable. Incompatible with oxidizing agents, metals.
Flash Point
-18 °C
Density
1.2076
Boiling Point
156°C
Storage Temperature
APPROX 4°C
Melting Point
2.85°C
Molecular weight
323.30
EINECS
218-276-8
SMILES
c1([P@@](Oc2ccc([N+](=O)[O-])cc2)(OCC)=S)ccccc1
InChI
1S/C14H14NO4PS/c1-2-18-20(21,14-6-4-3-5-7-14)19-13-10-8-12(9-11-13)15(16)17/h3-11H,2H2,1H3
InChIKey
AIGRXSNSLVJMEA-UHFFFAOYSA-N
Water solubility
3.11 mg/L
Melting Point
36 ° C
Henry's Law Constant
4.44E-07 atm-m3/mole
Atmospheric OH Rate Constant
7.47E-11 cm3/molecule-sec
log P (octanol-water)
4.78
Vapor Pressure
9.50E-07 mm Hg
Molecular weight
224.15
EINECS
232-095-1
SMILES
P(O\C(=C\C(OC)=O)C)(OC)(OC)=O
InChI
1S/C7H13O6P/c1-6(5-7(8)10-2)13-14(9,11-3)12-4/h5H,1-4H3/b6-5+
InChIKey
GEPDYQSQVLXLEU-AATRIKPKSA-N
log P (octanol-water)
0.13
Vapor Pressure
1.28E-04 mm Hg
Melting Point
13.95 ° C
Henry's Law Constant
6.39E-11 atm-m3/mole
Water solubility
6.00E+05 mg/L
Atmospheric OH Rate Constant
3.63E-11 cm3/molecule-sec
Molecular weight
456.54
EINECS
201-107-7
SMILES
P(=S)(SC1C(SP(=S)(OCC)OCC)OCCO1)(OCC)OCC
InChI
1S/C12H26O6P2S4/c1-5-15-19(21,16-6-2)23-11-12(14-10-9-13-11)24-20(22,17-7-3)18-8-4/h11-12H,5-10H2,1-4H3
InChIKey
VBKKVDGJXVOLNE-UHFFFAOYSA-N
Atmospheric OH Rate Constant
7.94E-10 cm3/molecule-sec
Vapor Pressure
8.76E-08 mm Hg
log P (octanol-water)
3.450
Henry's Law Constant
1.35E-11 atm-m3/mole
Melting Point
-2.00E+01 ° C
Water solubility
1.550 mg/L
Class
Demeton
Product Description
Product
Demeton
CAS
8065-48-3
Formula
C16H38O6P2S4; C8H19O3PS2.C8H19O3PS2
Synonym
Demeton; Demeton-O + demeton-S; Demox; Diethoxy thiophosphoric acid ester of 2-ethylmercaptoethanol; Diethoxythiophosphoric acid ester of 2-ethylmercaptoethanol; diethoxythiophosphoricacidesterof2-ethylmercaptoethanol; diethyls-(2-(ethylthio)ethyl)ester(7:3); diethyls-(2-(ethylthio)ethyl)phosphorothioate(7:3); E 1059; ENT 17,295; EPA Pesticide Chemical Code 057601; Ethyl systox; HSDB 201; Mercaptofos; Mercaptophos; Mixture of O-Demeton and S-Demeton; O,O-Diethyl 2-ethylmercaptoethyl thiophosphate; O,O-Diethyl O(and S)-2-(ethylthio)ethyl phosphorothioate mixture; O-Demeton and S-Demeton; Phosphorothioic acid, O,O-diethyl O-(2-(ethylthio)ethyl) ester, mixed with O,O-diethyl S-(2-(ethylthio)ethyl) phosphorothioate (7:3); Phosphorothioic acid, O,O-diethyl O-(2-(ethylthio)ethyl) ester, mixt. with O,O-diethyl S-(2-(ethylthio)ethyl) phosphorothioate; Septox; Superlist Names Demeton; Systemox; Systox; ULV; UNII-F74QXK6K3Q; 1059; BAY 10756; bay10756; Bayer 8169; beta-Ethylmercaptoethyl diethyl thionophosphate; beta-ethylmercaptoethyldiethylthionophosphate; Caswell No. 279; CCRIS 918; dematon
Typical Product Specifications
Molecular weight
516.68
SMILES
P(=O)(OCC)(OCC)SCCSCC.P(=S)(OCC)(OCC)OCCSCC
InChI
1S/2C8H19O3PS2/c1-4-10-12(9,11-5-2)14-8-7-13-6-3;1-4-9-12(13,10-5-2)11-7-8-14-6-3/h2*4-8H2,1-3H3
InChIKey
FAXIJTUDSBIMHY-UHFFFAOYSA-N
Water solubility
666 mg/L
Vapor Pressure
1.30E-03 mm Hg
Henry's Law Constant
3.82E-06 atm-m3/mole
Atmospheric OH Rate Constant
1.33E-10 cm3/molecule-sec
log P (octanol-water)
3.210
Molecular weight
330.36
EINECS
204-497-7
InChI
1S/C10H19O6PS2/c1-5-15-9(11)7-8(10(12)16-6-2)19-17(18,13-3)14-4/h8H,5-7H2,1-4H3
InChIKey
JXSJBGJIGXNWCI-UHFFFAOYSA-N
Atmospheric OH Rate Constant
7.74E-11 cm3/molecule-sec
Henry's Law Constant
4.89E-09 atm-m3/mole
Melting Point
2.8 ° C
Vapor Pressure
3.38E-06 mm Hg
log P (octanol-water)
2.36
Water solubility
143 mg/L
Water solubility
0.0145 g/100 mL
Stability
Stable. Incompatible with oxidizing agents, metals.
Flash Point
-18 °C
Density
1.2076
Boiling Point
156°C
Storage Temperature
APPROX 4°C
Melting Point
2.85°C
Molecular weight
323.30
EINECS
218-276-8
SMILES
c1([P@@](Oc2ccc([N+](=O)[O-])cc2)(OCC)=S)ccccc1
InChI
1S/C14H14NO4PS/c1-2-18-20(21,14-6-4-3-5-7-14)19-13-10-8-12(9-11-13)15(16)17/h3-11H,2H2,1H3
InChIKey
AIGRXSNSLVJMEA-UHFFFAOYSA-N
Water solubility
3.11 mg/L
Melting Point
36 ° C
Henry's Law Constant
4.44E-07 atm-m3/mole
Atmospheric OH Rate Constant
7.47E-11 cm3/molecule-sec
log P (octanol-water)
4.78
Vapor Pressure
9.50E-07 mm Hg
Molecular weight
224.15
EINECS
232-095-1
SMILES
P(O\C(=C\C(OC)=O)C)(OC)(OC)=O
InChI
1S/C7H13O6P/c1-6(5-7(8)10-2)13-14(9,11-3)12-4/h5H,1-4H3/b6-5+
InChIKey
GEPDYQSQVLXLEU-AATRIKPKSA-N
log P (octanol-water)
0.13
Vapor Pressure
1.28E-04 mm Hg
Melting Point
13.95 ° C
Henry's Law Constant
6.39E-11 atm-m3/mole
Water solubility
6.00E+05 mg/L
Atmospheric OH Rate Constant
3.63E-11 cm3/molecule-sec
Molecular weight
456.54
EINECS
201-107-7
SMILES
P(=S)(SC1C(SP(=S)(OCC)OCC)OCCO1)(OCC)OCC
InChI
1S/C12H26O6P2S4/c1-5-15-19(21,16-6-2)23-11-12(14-10-9-13-11)24-20(22,17-7-3)18-8-4/h11-12H,5-10H2,1-4H3
InChIKey
VBKKVDGJXVOLNE-UHFFFAOYSA-N
Atmospheric OH Rate Constant
7.94E-10 cm3/molecule-sec
Vapor Pressure
8.76E-08 mm Hg
log P (octanol-water)
3.450
Henry's Law Constant
1.35E-11 atm-m3/mole
Melting Point
-2.00E+01 ° C
Water solubility
1.550 mg/L
Class
