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EC number: 925-259-5
CAS number: 140921-24-0
Program (v3.01) Results:
CHEM : 1,6-hexanediyl-bis(2-(2-(1-ethylpentyl)-3-oxazolidinyl)ethyl)carbamate
FOR: C32 H62 N4 O6
WT : 598.87
BCFBAF v3.01 --------------------------------
BCF (regression-based estimate): 2.81 (BCF
= 652 L/kg wet-wt)
Half-Life (days) : 0.0024 (normalized
to 10 g fish)
BAF (Arnot-Gobas upper trophic): 0.75 (BAF
= 5.58 L/kg wet-wt)
Kow (experimental): not
available from database
Kow used by BCF estimates: 6.85
Used to Make BCF estimate:
BCF = 0.6598 log Kow - 0.333 + Correction
chains (8+ -CH2- groups) -1.374
Log BCF = 2.814 (BCF
= 652.3 L/kg wet-wt)
The BCF value was calculated using
BCFBAF v3.01 as part of EPISuite v4.11 from US Environmental Protection
Agency. The BCF value of the test item was calculated to be 652.3 L/kg
wet-wt (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 justification 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.
Study scientifically unjustified.
The performance of a test for
bioaccumulation in aquatic species, preferably fish, is scientifically
REACH Regulation No. 1907/2006, Annex IX,
Sect. 9.3.2, Col. 2, states as follows:
“9.3.2 The study need not be conducted if:
- the substance has a low potential for
bioaccumulation (for instance a log Kow <= 3) and/or a low potential to
cross biological membranes, or
- direct and indirect exposure of the
aquatic environment is unlikely. ”
Direct and indirect exposure of the test
item to water is unlikely. It can be assumed that upon contact with
water and organic matter, the test item undergoes rapid degradation
(hydrolysis) resulting in the formation of respective degradation
products. Furthermore, the test item is considered to be inherently
biodegradable. Therefore, the test item was considered to have no
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