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EC number: 925-259-5
CAS number: 140921-24-0
Upon mixing the test item with water an
immediate reaction occured and the test item and respectively its
hydrolysis products precipitated as solid on the surface of the glass
flask. The aqueaous phase was investigated using the SFC method that is
usually used for the analysis of the test item. Neither the test item
nor its hydrolysis proucts could be detected in the aqueous phase. Based
on the chemical structure of the test item it is considered that the
test item's hydrolysis products immediately reacted forming
The determination of the water solubility of
the test item using the SFC method for analysis of the test item in
aquesous phase was not feasible, since the test item or its hydrolysis
products precipitated on the surface of the glass flask.
Sol (v1.01 est): 1.6795 mg/L
CHEM : 1,6-hexanediyl-bis(2-(2-(1-ethylpentyl)-3-oxazolidinyl)ethyl)carbamate
FOR: C32 H62 N4 O6
WT : 598.87
WATER SOLUBILITY FRAGMENT DESCRIPTION
-CH3 [aliphatic carbon]
-CH2- [aliphatic carbon]
-CH [aliphatic carbon]
-O- [oxygen, aliphatic attach]
-NH- [aliphatic attach]
-N< [aliphatic attach]
-CH2- [aliphatic carbon, cyclic]
Water Sol (moles/L) at 25 dec C = -5.5522
Solubility (mg/L) at 25 dec C = 1.6795
The water solubility was calculated
using WATERNT v1.01 as part of EPISuite v4.11 from US Environmental
Using WATERNT v1.01 the water
solubility of the test item was calculated to be 1.6795 mg/L at 25 °C
(EPI Suite, 2014).
The adequacy of a prediction depends
on the following conditions:
a) the (Q)SAR model is scientifically
valid: the scientific validity is established according to the OECD
principles for (Q)SAR validation;
b) the (Q)SAR model is applicable to
the query chemical: a (Q)SAR is applicable if the query chemical falls
within the defined applicability domain of the model;
c) the (Q)SAR result is reliable: a
valid (Q)SAR that is applied to a chemical falling within its
applicability domain provides a reliable result;
d) the (Q)SAR model is relevant for
the regulatory purpose.
For assessment and jsutification of
these 4 requirements the QMRF and QPRF files were developed and attached
to this study record.
Description of the prediction
The prediction model was descripted
using the harmonised template for summarising and reporting key
information on (Q)SAR models. For more details please refer to the
attached QSAR Model Reporting Format (QMRF) file.
Assessment of estimation domain
The assessment of the estimation
domain was documented in the QSAR Prediction Reporting Format file
(QPRF). Please refer to the attached document for the details of the
prediction and the assessment of the estimation domain.
The determination of the water solubility of the test item was not feasible, since upon mixing the test item with water an immediate reaction occurred and the test item and respectively its hydrolysis products precipitated as solid on the surface of the glass flask. The water solubility of Incozol EH was calculated to be 1.6795 mg/L at 25 °C using WATERNT Program (v1.01).
The determination of the water solubility of the test item using the SFC method for analysis of the test item in aqueous phase was not feasible, since the test item or its hydrolysis products precipitated on the surface of the glass flask. The water solubility of Incozol EH was calculated to be 1.6795 mg/L at 25 °C using WATERNT Program (v1.01). This calculated value was used for chemical safety assessment.
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