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919-54-0

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Basic Information
CAS No.: 919-54-0
Name: ACETHION
Article Data: 7
Molecular Structure:
Molecular Structure of 919-54-0 (ACETHION)
Formula: C8H17 O4 P S2
Molecular Weight: 272.326
Synonyms: Aceticacid, [(diethoxyphosphinothioyl)thio]-, ethyl ester (9CI); Acetic acid,mercapto-, ethyl ester, O,O-diethyl phosphorodithioate (6CI); Acetic acid,mercapto-, ethyl ester, S-ester with O,O-diethyl phosphorodithioate (7CI,8CI);Phosphorodithioic acid, O,O-diethyl ester, S-ester with ethyl mercaptoacetate(8CI); Acethion; Acethione; ENT 25650; Ethoxyphas; Ethoxyphos; O,O-DiethylS-carboethoxymethyl phosphorodithioate
Density: 1.222g/cm3
Boiling Point: 310.7°Cat760mmHg
Flash Point: 141.7°C
Safety: Moderately toxic by ingestion and intraperitoneal routes. When heated to decomposition it emits very toxic fumes of POx and SOx. See also MERCAPTANS and ESTERS.
PSA: 111.96000
LogP: 3.23080
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Chemistry

IUPAC Name: Ethyl 2-diethoxyphosphinothioylsulfanylacetate
Synonyms of O,O-Diethyl S-carboethoxymethyl dithiophosphate (CAS NO.919-54-0): Ethyl [(diethoxyphosphorothioyl)sulfanyl]acetate
CAS NO: 919-54-0
Molecular Formula: C8H17O4PS2
Molecular Weight: 272.3219
Molecular Structure:
Melting Point: 56-58 °C
H bond acceptors: 4
H bond donors: 0
Freely Rotating Bonds: 9
Polar Surface Area: 111.96Å2
Index of Refraction: 1.508
Molar Refractivity: 66.5 cm3
Molar Volume: 222.7 cm3
Surface Tension: 45.5 dyne/cm
Density: 1.222 g/cm3
Flash Point: 141.7 °C
Enthalpy of Vaporization: 55.15 kJ/mol
Boiling Point: 310.7 °C at 760 mmHg
Vapour Pressure: 0.000591 mmHg at 25°C
SMILES: O=C(OCC)CSP(=S)(OCC)OCC Copy InChI: InChI=1/C8H17O4PS2/c1-4-10-8(9)7-15-13(14,11-5-2)12-6-3/h4-7H2,1-3H3
InChIKey: AISZOMRXKKCPIS-UHFFFAOYAL
Std. InChI: InChI=1S/C8H17O4PS2/c1-4-10-8(9)7-15-13(14,11-5-2)12-6-3/h4-7H2,1-3H3
Std. InChIKey: AISZOMRXKKCPIS-UHFFFAOYSA-N

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1280mg/kg (1280mg/kg)   Journal of Economic Entomology. Vol. 51, Pg. 714, 1958.
mouse LD50 oral 1200mg/kg (1200mg/kg)   Agricultural Research Service, USDA Information Memorandum. Vol. 20, Pg. 12, 1966.
mouse LD50 unreported 820mg/kg (820mg/kg)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 7(5), Pg. 38, 1963.
rat LD50 oral 1100mg/kg (1100mg/kg)   "Organophosphorus Pesticides: Organic and Biological Chemistry," Eto, M., Cleveland, OH, CRC Press, Inc., 1974Vol. -, Pg. 256, 1974.
rat LD50 unreported 1050mg/kg (1050mg/kg)   "Chemistry of Pesticides," Melnikov, N.N., New York, Springer-Verlag New York, Inc., 1971Vol. -, Pg. 359, 1971.

Safety Profile

Moderately toxic by ingestion and intraperitoneal routes. WhenO,O-Diethyl S-carboethoxymethyl dithiophosphate (CAS NO.919-54-0) is heated to decomposition, it emits very toxic fumes of POx and SOx. See also MERCAPTANS and ESTERS.