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EC number: 225-392-2
CAS number: 4819-67-4
Weight of Evidence approach, geometric mean of QSAR results:Koc = 435.3 L/Kglog Koc = 2.64
Three QSARs models, which are recommended by
the ECHA guidance document on information requirements, were used in a
weight of evidence approach to determine the adsorption coefficient of
the registered substance.
and second models are KOCWIN v2.00, available from the US EPA (MCI and
log Kow methodologies).
adsorption coefficient (Koc) of the registered substance was
estimated to be 180.2 L/kg and 860.9 L/kg, calculated from the MCI and
log Kow methodologies respectively, using an experimental log Kow value
model is TGD (2003). Based on the chemical class of Nonhydrophobics, the
estimated adsorption coefficient of the registered substance was 531.6
L/kg (with an experimental log Kow at 3.28).
of the estimated adsorption coefficients is presented in the table
CAS N° 4819-67-4
Experimental Log Kow = 3.28
KOCWIN v2.00 – MCI approach
Koc = 180.2 L/kg
KOCWIN v2.00 – Kow approach
Koc = 860.9 L/kg
Koc = 531.6 L/kg
Koc = 435.3 L/kg
Log Koc = 2.64
these predictions, the Koc of the registered substance
estimated to be 435.3 L/kg, corresponding to
a log Koc at 2.64 (geometric mean of QSAR results).
indicates that the substance has a medium mobility in soils (according
to P.J. McCall et al., 19811).
McCall P.J., Laskowski D.A., Swann R.L., and Dishburger H.J., (1981),
“Measurement of sorption coefficients of organic chemicals
and their use, in environmental fate analysis”, in Test Protocols for
Environmental Fate and Movement of Toxicants. Proceedings of AOAC
Mobility classification scheme:
Range of Koc
0 - 50
50 - 150
150 - 500
500 - 2000
2000 - 5000
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.
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