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2425-25-4

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Basic Information
CAS No.: 2425-25-4
Name: Ethyl ((diethoxyphosphinyl)thio)acetate
Article Data: 9
Molecular Structure:
Molecular Structure of 2425-25-4 (Ethyl ((diethoxyphosphinyl)thio)acetate)
Formula: C8H17 O5 P S
Molecular Weight: 256.26
Synonyms: Aceticacid, [(diethoxyphosphinyl)thio]-, ethyl ester (9CI); Acetic acid, mercapto-,ethyl ester, O,O-diethyl phosphorothioate (6CI); Acetic acid, mercapto-, ethylester, S-ester with O,O-diethyl phosphorothioate (7CI,8CI); Acetaphos;Acetophos; Acetoxon; O,O-Diethyl S-(carbethoxy)methyl phosphorothiolate;O,O-Diethyl S-ethoxycarbonylmethyl phosphorothioate; Phosphorothioic acid,O,O-diethyl ester, S-ester with ethyl mercaptoacetate
Density: 1.192g/cm3
Boiling Point: 299.8°Cat760mmHg
Flash Point: 135.1°C
Safety: Poison by ingestion and intraperitoneal routes. When heated to decomposition it emits very toxic fumes of POx and SOx.
PSA: 96.94000
LogP: 2.46380
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Chemistry

Empirical Formula of Acetoxon (CAS NO.2425-25-4): C8H17O5PS
Molecular Weight: 256.2563 
Index of Refraction: 1.463
Density: 1.192 g/cm3
Flash Point: 135.1 °C
Enthalpy of Vaporization: 53.99 kJ/mol
Boiling Point: 299.8 °C at 760 mmHg
Vapour Pressure: 0.00116 mmHg at 25 °C
Structure of Acetoxon (CAS NO.2425-25-4):
                           
IUPAC Name: Ethyl 2-diethoxyphosphorylsulfanylacetate
Canonical SMILES: CCOC(=O)CSP(=O)(OCC)OCC
InChI: InChI=1S/C8H17O5PS/c1-4-11-8(9)7-15-14(10,12-5-2)13-6-3/h4-7H2,1-3H3
InChIKey: ZRCQYAQOWIQUBA-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

orl-rat LD50:45 mg/kg

     HYSAAV    Hygiene and Sanitation: English Translation of Gigiena Sanitariya. 31 (1966),18.
2.    

ipr-mus LD50:214 mg/kg

     JEENAI    Journal of Economic Entomology. 51 (1958),714.

Safety Profile

Poison by ingestion and intraperitoneal routes. When heated to decomposition Acetoxon (CAS NO.2425-25-4) emits very toxic fumes of POx and SOx.

Specification

 Acetoxon , its cas register number is 2425-25-4. It also can be called Acetic acid, mercapto-, ethyl ester, S-ester with O,O-diethyl phosphorothioate ; O,O-Diethyl S-(carbethoxy)methyl phosphorothiolate ; and Acetic acid, ((diethoxyphosphinyl)thio)-, ethyl ester (9CI) .