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3690-28-6

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Basic Information
CAS No.: 3690-28-6
Name: phenthoate oxon
Molecular Structure:
Molecular Structure of 3690-28-6 (phenthoate oxon)
Formula: C12H17 O5 P S
Molecular Weight: 304.304
Synonyms: Aceticacid, mercaptophenyl-, ethyl ester, S-ester with O,O-dimethyl phosphorothioate(7CI,8CI); Acetic acid, mercaptophenyl-, ethyl ester, dimethyl phosphate (6CI);Phenthoate oxon; Phosphorothioic acid, O,O-dimethyl ester, S-ester with ethylmercaptophenylacetate
Density: 1.25g/cm3
Boiling Point: 370.3°Cat760mmHg
Flash Point: 177.7°C
Safety: A poison by ingestion. A combustible liquid. When heated to decomposition it emits toxic vapors of POx and SOx.
PSA: 96.94000
LogP: 3.42490
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  • Benzeneacetic acid, a-[(dimethoxyphosphinyl)thio]-,ethyl ester

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    Benzeneacetic acid, a-[(dimethoxyphosphinyl)thio]-,ethyl ester

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Chemistry

IUPAC Name: Ethyl 2-dimethoxyphosphorylsulfanyl-2-phenylacetate
Synonyms of Phenthoate oxon (CAS NO.3690-28-6) : Benzeneacetic acid, alpha-((dimethoxyphosphinyl)thio)-, ethyl ester (9CI) ; Benzeneacetic acid, alpha-[(dimethoxyphosphinyl)thio]-, ethyl ester ; Ethyl [(dimethoxyphosphoryl)sulfanyl](phenyl)acetate ; Ethyl-[(dimethoxyphosphoryl)sulfanyl](phenyl)acetat ; O,O-Dimethyl S-(alpha-ethoxycarbonylbenzyl) thiophosphate
InChI: InChI=1/C12H17O5PS/c1-4-17-12(13)11(10-8-6-5-7-9-10)19-18(14,15-2)16-3/h5-9,11H,4H2,1-3H3
CAS NO: 3690-28-6
Molecular Formula:C12H17O5PS
Molecular Weight :304.2991
Molecular Structure :
Index of Refraction:1.524
Surface Tension: 44.4 dyne/cm
Density: 1.25 g/cm3
Flash Point: 177.7 °C
Enthalpy of Vaporization: 61.72 kJ/mol
Boiling Point: 370.3 °C at 760 mmHg
Vapour Pressure: 1.12E-05 mmHg at 25°C

Uses

 Phenthoate oxon (CAS NO.3690-28-6) is used as  intermediate in organic synthesis.

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 63mg/kg (63mg/kg)   Journal of Agricultural and Food Chemistry. Vol. 20, Pg. 944, 1972.

Safety Profile

A poison by ingestion. A combustible liquid. When Phenthoate oxon (CAS NO.3690-28-6) is heated to decomposition, it emits toxic vapors of POx and SOx.