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EC number: 701-122-3
CAS number: 106185-75-5
TGD (2003) equation has been assessed according to the OECD principles.
An unambiguous algorithm:
a substance with a log Kow of 2 -6, the following linear relationship
can be used as developed by Veith et al. (1979): log BCF (fish) =
0.85*log Kow - 0.70. For a substance with a log Kow higher than 6, a
parabolic equation can be used: log BCF (fish) = -0.20*log Kow² +
2.74*log Kow - 4.72.
defined domain of applicability:
model applicability domain consists of 2 parts: organic chemicals with
log Kow of 2 -6 and organic chemicals with log Kow > 6.
measures of goodness-of-fit, robustness and predictivity:
(number of data) = 55; R² (correlation coefficient) = 0.90
mechanistic interpretation, if possible:
value of CAS 106185-75-5 was assessed by using the TGD part. II eq. (74).
results are shown below:
Bio Half-Life Normalized to 10 g fish at 15°C:
BCF value of CAS 106185-75-5 was assessed
under BCFBAF v3.01 software.
The results for the Arnot-Gobas lower
trophic (including biotransformation) approach are: log BCF = 2.824, BCF
(L/kg) = 667.0.
for approaches from BCFBAF v3.01 software are given through attached
files (QMRF and QPRF).
The results with the regression-based
estimate approach is log BCF = 2.57, BCF (L/kg) = 371.6.
BCF has been estimated by the geometric mean of three QSAR data.
The bioconcentration factor (BCF) was
estimated by three QSAR models:
- BCFBAF v3.01 module of EPI Suite (v4.0) -
- BCF-BAF v3.01 module of EPI Suite (v4.0)
(including biotransformation) - Arnot-Gobas lower trophic level
- A model described in Technical Guidance
Risk Assessment (European Chemicals Bureau, 2003) - Part II, Chapter
3.8, equation (74) p. 126
The estimated fish BCF of
2-ethyl-4-(2,2,3-trimethyl-3-cyclopenten-1-yl)-(2E)-buten-1-ol is 647.7
L/kg (geometric mean of results of three QSAR data).
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