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Environmental fate & pathways

Bioaccumulation: aquatic / sediment

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Endpoint:
bioaccumulation in aquatic species: fish
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
Study period:
2017
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
accepted calculation method
Justification for type of information:
QSAR-calculation by EPIWIN based on the experimental log POW value of 4.40
Qualifier:
according to guideline
Guideline:
other: REACH guidance on QSARs: Chapter R.6. QSARs and grouping of chemicals
GLP compliance:
no
Specific details on test material used for the study:
TEST MATERIAL
- Substance identification/name in the report: LZ 596
- Molecular formula: C21H30N2
- Smiles: Nc(c(cc(c1)Cc(cc(c(N)c2CC)CC)c2)CC)c1CC
Radiolabelling:
no
Justification for method:
minimised test method used to support BCF estimates based on Kow
Key result
Temp.:
ca. 25 °C
Type:
BCF
Value:
372 L/kg
Basis:
other: calculation based on experimental Log Pow
Key result
Temp.:
ca. 25 °C
Type:
BAF
Value:
29.8 L/kg
Basis:
other: calculation based on experimental Log Pow
Validity criteria fulfilled:
yes
Conclusions:
A BCF of 372 L/kg wet-wt (log BCF 2.57) was obtained by QSAR-calculation.
Executive summary:

The bioconcentration factor was calculated based on the experimental Log Pow of 4.4 applying the EPIWIN-program (BCFBAF V3.01). A BCF of 372 L/kg wet-wt (log BCF 2.57) was obtained. Based on this result, the test item does not have bioaccumulating properties.

Endpoint:
bioaccumulation in aquatic species: fish
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
Study period:
2017
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
accepted calculation method
Justification for type of information:
QSAR-calculation by EPIWIN applying the Arnot-Gobas method
Qualifier:
according to guideline
Guideline:
other: REACH guidance on QSARs: Chapter R.6. QSARs and grouping of chemicals
GLP compliance:
no
Specific details on test material used for the study:
TEST MATERIAL
- Substance identification/name in the report: LZ 596
- Molecular formula: C21H30N2
- Smiles: Nc(c(cc(c1)Cc(cc(c(N)c2CC)CC)c2)CC)c1CC
Radiolabelling:
no
Key result
Temp.:
ca. 25 °C
Type:
BCF
Value:
2 469 L/kg
Basis:
other: calculation based on experimental Log Pow
Key result
Temp.:
ca. 25 °C
Type:
BAF
Value:
10 370 L/kg
Basis:
other: calculation acc. Arnot-Gobas method
Details on results:
The BCF was predicted assuming a biotransformation rate of zero.
Validity criteria fulfilled:
yes
Conclusions:
A BCF (upper trophic) of 2469 L/kg wet-wt (log BCF 3.393) was obtained by QSAR-calculation.
Executive summary:

The bioconcentration factor was calculated according to the Arnot-Gobas method applying the EPIWIN-program (BCFBAF V3.01). A BCF (upper trophic) of 2469 L/kg wet-wt (log BCF 3.393) was obtained by QSAR-calculation (biotransformation assumed as zero).

Thus, the substance is “Potentially P or vP”.

Endpoint:
bioaccumulation in aquatic species: fish
Data waiving:
study scientifically not necessary / other information available
Justification for data waiving:
the study does not need to be conducted because direct and indirect exposure of the aquatic compartment to the substance is unlikely
Justification for type of information:
JUSTIFICATION FOR DATA WAIVING
Based on the intended uses of the test ite, direct and indirect exposure of the aquatic compartment is unlikely. A calculation of the BCF by the EPIWIN-software showed an estlmated Log BCF of 2.510, corresponding to a BCF of 371.6 L/kg wet-wt.

Description of key information

Study was waived. Based on the intended uses of the test item, direct and indirect exposure of the aquatic compartment is unlikely. A calculation of the BCF by the EPIWIN-software showed the following estimated figures:

- a Log BCF of 2.510, corresponding to a BCF of 371.6 L/kg wet-wt, based on the experimental Log Pow of 4.4

- a Log BCF of 3.393, corresponding to a BCF of 2469 L/kg wet-wt, based on Arnot-Gobas method (biotransformation assumed as zero)

Key value for chemical safety assessment

BCF (aquatic species):
2 469 L/kg ww

Additional information

Source: Calculation & expert assessment