Registration Dossier
Registration Dossier
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EC number: 205-439-3 | CAS number: 140-89-6
Endpoint summary
Administrative data
Description of key information
Additional information
Transport and distribution
Adsorption / desorption
According to “ANNEX IX- STANDARD INFORMATION REQUIREMENTS FOR SUBSTANCES MANUFACTURED OR IMPORTED IN QUANTITIES OF 100 TONNES OR MORE , an adsorption study need not be conducted if:
— based on the physicochemical properties the substance can be expected to have a low potential for adsorption (e.g. the substance has a low octanol water partition coefficient), or
— the substance and its degradation products decompose rapidly.
The log of the adsorption coefficient (KOC) of Potassium ethyl xanthate was estimated to be log KOC = 0.602 which is equal to a KOC value of 4 using the KOCWIN v2.00 QSAR method. This value indicates that Potassium ethyl xanthate will be adsorbed by organic carbon in soil. Potassium ethyl xanthate can be classified to be of very high mobility in soil according these results and does not have a high potential for adsorption to soil
Potassium ethyl xanthate and xanthates in general adsorbs strongly to sulphide minerals but has less affinity for surfaces in general.
The KOC value of 4 also suggest this conclusion.
The estimated Soil Adsorption Coefficient was 4L/kg measured by calculation from EPI SuiteTM v4.1 Program. This is Exposure Assessment Tools and Models made from EPA (Environmental Protection Agency
SMILES : CCOC(=S)S(K)
CHEM : Carbonodithioic acid, o-ethyl ester, potassium salt
MOL FOR: C3 H5 O1 S2 K1
MOL WT : 160.29
--------------------------- KOCWIN v2.00 Results ---------------------------
Koc Estimate from MCI:
---------------------
First Order Molecular Connectivity Index ........... : 2.770
Non-Corrected Log Koc (0.5213 MCI + 0.60) .......... : 2.0438
Fragment Correction(s):
1 Thiocarbonyl (C=S) .................. : -0.5701
1 Ether, aliphatic (-C-O-C-) .......... : -0.8716
Corrected Log Koc .................................. : 0.6021
Estimated Koc: 4 L/kg <===========
Koc Estimate from Log Kow:
-------------------------
Log Kow (User entered ) ......................... : -2.24
Non-Corrected Log Koc (0.55313 logKow + 0.9251) .... : -0.3139
Fragment Correction(s):
1 Thiocarbonyl (C=S) .................. : 0.3004
1 Ether, aliphatic (-C-O-C-) .......... : -0.0906
Corrected Log Koc .................................. : -0.1041
Estimated Koc: 0.7869 L/kg <===========
Henry's Law constant
The estimated Henrys Law Constant (25 deg C) measured by calculation from EPI SuiteTM v4.1, HENRYWIN v3.20 Program was 5.547E-016 atm-m3/mole (5.620E-011 Pa-m3/mole) , which is almost zero.
This is Exposure Assessment Tools and Models made from EPA (Environmental Protection Agency).
Distribution modelling.
Potassium ethyl xanthate has no affinity to be in air and sediment. The direct emissions to soil and surface water are significant, therefore Potassium ethyl xanthate will be almost exclusively be found in soil and surface water.
Mackay fugacity modelling (level 3) indicates that, taking into account degradation and using inflow parameters which are consistent with the known production tonnage of this substance in, fugacity coefficient indicates that environmental concentrations in water are predicted to be 1.1e-020 (atm), in air (atm) 3.46e-019 and soil 5.79e-019 (atm) and sediment to be 9.99e-021 (atm).
These are negligible low levels. This can be considered a worse case prediction as it assumes all product is emitted with no emission control systems used.
Other distribution data
These results suggest for Potassium ethyl xanthate that direct and indirect exposure from distribution in media is unlikely.
Based on low vapor pressure and low estimated log Pow, expected to partition to water and soil. Not expected to partition to air, sediments or biota.
Therefore testing for distribution in media does not need to be performed.
The estimated STP Fugacity Model and Volatilization From Water were measured by calculation from EPI SuiteTM v4.1 Program. This is Exposure Assessment Tools and Models made from EPA (Environmental Protection Agency) .
Volatilization From Water
=========================
Chemical Name: Carbonodithioic acid, o-ethyl ester, potassium salt
Molecular Weight : 160.29 g/mole
Water Solubility : 1E+006 ppm
Vapor Pressure : 2.63E-009 mm Hg
Henry's Law Constant: 5.55E-016 atm-m3/mole (calculated from VP/WS)
RIVER LAKE
--------- ---------
Water Depth (meters): 1 1
Wind Velocity (m/sec): 5 0.5
Current Velocity (m/sec): 1 0.05
HALF-LIFE (hours) : 1.336E+012 1.458E+013
HALF-LIFE (days ) : 5.568E+010 6.074E+011
HALF-LIFE (years) : 1.524E+008 1.663E+009
STP Fugacity Model: Predicted Fate in a Wastewater Treatment Facility
===========================================================
(using 10000 hr Bio P,A,S)
PROPERTIES OF: Carbonodithioic acid, o-ethyl ester, potassium salt
-------------
Molecular weight (g/mol) 160.29
Aqueous solubility (mg/l) 1E+006
Vapour pressure (Pa) 3.50638E-007
(atm) 3.46053E-012
(mm Hg) 2.63E-009
Henry 's law constant (Atm-m3/mol) 5.54686E-016
Air-water partition coefficient 2.2685E-014
Octanol-water partition coefficient (Kow) 0.0057544
Log Kow -2.24
Biomass to water partition coefficient 0.801151
Temperature [deg C] 25
Biodeg rate constants (h^-1),half life in biomass (h) and in 2000 mg/L MLSS (h):
-Primary tank 0.04 16.00 10000.00
-Aeration tank 0.04 16.00 10000.00
-Settling tank 0.04 16.00 10000.00
STP Overall Chemical Mass Balance:
---------------------------------
g/h mol/h percent
Influent 1.00E+001 6.2E-002 100.00
Primary sludge 2.50E-002 1.6E-004 0.25
Waste sludge 1.50E-001 9.4E-004 1.50
Primary volatilization 3.02E-013 1.9E-015 0.00
Settling volatilization 8.24E-013 5.1E-015 0.00
Aeration off gas 2.03E-012 1.3E-014 0.00
Primary biodegradation 1.76E-003 1.1E-005 0.02
Settling biodegradation 5.27E-004 3.3E-006 0.01
Aeration biodegradation 6.93E-003 4.3E-005 0.07
Final water effluent 9.82E+000 6.1E-002 98.15
Total removal 1.85E-001 1.2E-003 1.85
Total biodegradation 9.22E-003 5.8E-005 0.09
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