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EC number: 232-077-3
CAS number: 7785-26-4
The TGD (2003) equation has been assessed
according to the OECD principles.
1.A defined endpoint: Bioconcentration
2. An unambiguous algorithm: For 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.
3. A defined domain of applicability: The
model applicability domain consists of 2 parts: organic chemicals with
log Kow of 2-6 and organic chemicals with log Kow > 6.
4. Appropriate measures of goodness-of-fit,
robustness and predictivity: n (number of data) = 55; R² (correlation
coefficient) = 0.90
5.A mechanistic interpretation, if possible:
BCF value of (-)-alpha-pinene was
assessed by using the TGD part. II eq. (74).
The results are shown below:
TGD part. II eq. (74) approach BCF
(L/kg) = 1233.1
Information for approaches from BCFBAF v3.01
software are given through attached files (QMRF and QPRF).
BCF value of (-)-alpha-pinene
was assessed under BCFBAF v3.01
The results with the regression-based
estimate approach is log BCF = 2.61, BCF (L/kg) = 407.1.
The bioconcentration factor of
(-)-alpha-pinene was estimated by calculation with BCFBAF tool v3.01,
part of EPIWIN software.
The results for the Arnot-Gobas lower
trophic (including biotransformation) approach are: log BCF = 3.096, BCF
(L/kg) = 1248.
BCF has been estimated by the
geometric mean of three QSAR data on (-)-alpha-pinene.
- BCFBAF v3.01 module of EPI Suite
(v4.0) - Regression-based estimate
- 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
Geometric mean value for BCF is 855.7 L/kg.
Bioaccumulation factor has been
calculated according to 3 commonly used QSAR models.
Meylan et al., (1999)
(Regression- Based Method)
European Chemicals Bureau, 2003,
Part II, Chapter 3.8, equation (74) p. 126
Geometric mean value (855.7 L/kg) has
been taken into account as endpoint value, as recommended in ECHA
guidance R7c and is used as input parameter for Environmental Risk
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