phenthoate
Identification (Source:EPA,EU)
| ID |
1497 |
| Name |
phenthoate |
| CAS |
2597-03-7 |
| IUPAC |
|
| Inchi |
InChI=1S/C12H17O4PS2/c1-4-16-12(13)11(10-8-6-5-7-9-10)19-17(18,14-2)15-3/h5-9,11H,4H2,1-3H3 |
| CIPAC |
108 |
| EPA Code |
104901 |
| Formula |
C12H17O4PS2 |
| SMILES |
O=C(OCC)C(SP(=S)(OC)OC)c1ccccc1 |
| Status |
Not Approved |
Classification
| Mode of Action |
Non-systemic with contact and stomach action. Acetylcholinesterase (AChE) inhibitor. |
| Pesticide Type |
Insecticide, Acaricide |
| Chemical Group |
Organophosphate |
| Classification |
organothiophosphate insecticides
|
Properties (Source:PubChem)
| Molecular Weight |
320.39 |
| Physical State |
Colourless liquid |
| AlogP |
3.067 |
| H-Bond Donor |
0 |
| H-Bond Acceptor |
6 |
| Surface Area |
308.75 |
| Polar Surface Area |
111.96 |
Structure
Ecotoxicology (Source:PPDB,IPM)
| Species |
Method |
Study Time |
Dose Type |
Value |
| Aquatic invertebrates |
Acute |
48 hour |
EC50 |
0.0017 mg l-1 |
| Birds |
Acute |
|
LD50 |
300 mg kg-1 |
| Fish |
Acute |
96 hour |
LC50 |
2.5 mg l-1 |
| Honeybees |
Acute |
48 hour |
LD50 |
0.306 μg bee-1 |
| Mammals |
Acute oral |
|
LD50 |
249 mg kg-1 |
|
Bio-concentration factor |
|
BCF |
381 |
|
Bio-concentration factor |
|
CT50 |
Not available days |
Related targets
| Target Name |
RScore (About this table) |
|
|
Acetylcholinesterase
|
267(1,6,10,17) |
Details |
|
glutathione reductase
|
82(1,1,1,2) |
Details |
|
CYP3A4
|
33(0,1,1,3) |
Details |
|
CYP2D6
|
33(0,1,1,3) |
Details |
|
CYP1A1
|
32(0,1,1,2) |
Details |
|
CYP2C9
|
32(0,1,1,2) |
Details |
|
beta glucosidase
|
31(0,1,1,1) |
Details |
|
glutathione transferase
|
31(0,1,1,1) |
Details |
|
CYP2C8
|
31(0,1,1,1) |
Details |
|
CYP2B6
|
31(0,1,1,1) |
Details |
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