Phenthoate
- CAS No.
- 2597-03-7
- Chemical Name:
- Phenthoate
- Synonyms
- ELSAN;L 561;CIDIAL;S 2940;KAP(R);AIMSAN;Cydeal;FORSAN;Phendal;Cidemul
- CBNumber:
- CB9740624
- Molecular Formula:
- C12H17O4PS2
- Molecular Weight:
- 320.37
- MOL File:
- 2597-03-7.mol
- MSDS File:
- SDS
- Modify Date:
- 2026/10/27 18:05:44
| Melting point | 17 to 18 °C (63 to 64 °F; 290 to 291 K) |
|---|---|
| Boiling point | 75°C |
| Density | 1.226 g/mL (20 °C) |
| vapor pressure | 5.3×10-3 (40 °C) |
| Flash point | Not applicable |
| storage temp. | 2-8°C |
| solubility | Chloroform (Slightly), DMSO (Sparingly), Methanol (Slightly) |
| Water Solubility | 10 mg l-1(25 °C) |
| form | crystalline solid |
| color | Colorless |
| Henry's Law Constant | 1.8×103 mol/(m3Pa) at 25℃, HSDB (2015) |
| 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 |
| InChIKey | XAMUDJHXFNRLCY-UHFFFAOYSA-N |
| SMILES | CCOC(=O)C(SP(=S)(OC)OC)c1ccccc1 |
| CAS DataBase Reference | 2597-03-7(CAS DataBase Reference) |
| NIST Chemistry Reference | Phenthoate(2597-03-7) |
| EPA Substance Registry System | Phenthoate (2597-03-7) |
SAFETY
Risk and Safety Statements
| Symbol(GHS) |   GHS07,GHS09 |
|---|---|
| Signal word | Warning |
| Hazard statements | H302-H312-H410 |
| Precautionary statements | P264-P270-P301+P312-P330-P501-P280-P302+P352-P312-P322-P363-P501-P273-P391-P501 |
| PPE | Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter |
| Hazard Codes | Xn,N |
| Risk Statements | 21/22-50/53 |
| Safety Statements | 22-36/37-60-61 |
| RIDADR | UN 2810 |
| WGK Germany | WGK 3 |
| RTECS | AI7875000 |
| HazardClass | 6.1(b) |
| PackingGroup | III |
| HS Code | 2930909058 |
| Storage Class | 6.1A - Combustible acute toxic Cat. 1 and 2 very toxic hazardous materials |
| Hazard Classifications | Acute Tox. 2 Inhalation Acute Tox. 3 Dermal Acute Tox. 3 Oral Aquatic Acute 1 Aquatic Chronic 1 |
| Hazardous Substances Data | 2597-03-7(Hazardous Substances Data) |
Phenthoate price
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Phenthoate Chemical Properties,Uses,Production
Description
Phenthoate is a colorless crystalline substance. Solubility in water is 10 mg/L (25 C). It is readily soluble in most organic solvents. Log Kow = 3.69. It is relatively stable in neutral and acidic aqueous media but decomposed under alkaline conditions.
Uses
Phenthoate is an organothiophosphate insecticide used against lepidoptera and houseflies.
Definition
ChEBI: An organic thiophosphate that is ethyl mandelate in which the hydroxy group has been replaced by a (dimethoxyphosphorothioyl)sulfanediyl group.
Metabolic pathway
Studies which have measured the degradation of phenthoate in buffered aqueous solution have shown that it can be hydrolysed at the carboethoxy group, by cleavage of the P-S and C-S bonds and by demethylation in addition to oxidative desulfuration to the oxon. Reports on the metabolism of phenthoate in plants, insects and mammals have shown that the metabolic products can be largely explained by cleavage of these reactive groups. P-S and C-S bond cleavage is demonstrated by the formation of both O,O-dimethyl phosphorothioate and O,O-dimethyl phosphorodithioate. Metabolism in plants, insects and mammals is similar with many of the possible metabolites being identified in most species. Phenthoate carboxylic acid is a major metabolite except in plants where hydrolysis of the phosphorodithioate moiety predominates. In mammals, little or none of the activated metabolite, phenthoate oxon, can be detected, suggesting that the predominant metabolic route is degradative, wkuch may in part explain the favourable mammalian toxicity of the compound.
Metabolism
Phenthoate is degraded by hydrolysis of the carboethoxy moiety. Demethylation and the cleavage of PSC linkages are also important degradation routes. Oxidative desulfuration to the oxon followed by hydrolysis occurs in animals and plants.The major metabolites excreted in the urine and feces are demethyl phenthoate, demethyl phenthoate acid, demethyl phenthoate oxon, and O,O-dimethyl hydrogen phosphorodithioate and phosphorothioate. It is rapidly degraded in soils; DT50 was less than 1 d in both upland and submerged soil.
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