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EC number: 297-025-4
CAS number: 93281-13-1
Calibration data of the Reference Items
(1) Log Koc of 2 -Nitrobenzamide is the
mean value of batch experiments on five soils adopted from Gawlik &
Muntau (1999) (1)
(2) The Log Koc values of the rest of the
reference items are taken from the guideline OECD 121.
Table: Retention time, Capacity Factors
and Adsorption Coefficient of Test item
Partially not fullfiled: retention time
difference between the two injections for the reference substances
Pyrazophos and a-Endosulfan was slightly higher than 0.1 min, 0.13 and
(1) Gawlick, B.M and Muntau, H. Eurosoils
II. Laboratory Reference Materials for Soil-related studies. Joint
Researc Centre, European Commision, EUR 18983 EN (1999)
(2) OECD/OCDE 121 Guideline for the
testing of chemicals- Estimation of the Adsorption Coefficient (Koc) on
Soil and on Sewage using High Perfomance Liquid Chromatography (HPLC)
(Draft dated 2001 -01 -222)
The estimation of the adsorption
coefficient (Koc) on soil and on sewage sludge using high performance
liquid chromatography (HPLC) was carried out according to the principles
of the OECD Guideline 121. Calibration was performed using six reference
items with known values of log Koc and the capacity factor k' was
calculated from the dead time of the HPLC-system for each reference
item. The measured HPLC - retention data of the test item were
calculated and were used for the estimation of the adsorption
coefficient from the calibration graph (Log Koc versus log k').
The estimated range of log Koc for the
test item is 1.54 -1.78, SD = 0.006 which corresponds to a Koc range of
35 - 60.
log Koc: 1.54 - 1.78 at 25 °C
potential for adsorption.
Direct Black 168 is expected to have
a low potential for absorption, on the basis of the partition
coefficient; the log Pow was determined to be lower than 4 at 20 °C and
pH 6. The organic carbon-water partition coefficient was estimated using
EUSES v.2.1 to be 0.09 (log koc: -1.06).
In order to deeper investigate the
substance characteristics, the available data on the structural
analogous Similar Substance 01 has been considered. Similar
Substance 01 shares with Direct Black 168 the same scaffold chemical
structure base; the differences are considered to be not able to impact
the study outcomes, thus the read across can be considered as reliable
and apporopriated to evaluate the endpoint (details on read-across
approach are given in the IUCLID section 13).
The estimation of the adsorption
coefficient (Koc) of Similar Substance 01 was carried out using high
performance liquid chromatography (HPLC), according to the OECD
Guideline 121. Calibration was performed using six reference items with
known values of log Koc and the capacity factor k' was calculated from
the dead time of the HPLC-system for each reference item. The estimated
range of log Koc for the test item was 1.54 -1.78 (SD = 0.006), which
corresponds to a Koc range of 35 - 60.
Despite the difference in values recorded,
both estimated values on Direct Black 168 and Similar Substance 01 agree
to define the same behaviour, i.e. that the substance can be considered
as mobile in soil.
Therefore, the experimental data on the
analogous has been used in order to estimate the suspended
matter-water and soil-water partition coefficients, which are needed to
the calculation of the PNECs for sediment and soil, according to the
equilibrium partitioning method.
Suspended matter-water partition
coefficient: 1.78 - 2.4 (log Ksusp 0.25 - 0.38)
Soil-water partition coefficient:
1.43 - 2.18 (log Ksoil 0.15 - 0.34)
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