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EC number: 237-185-4 | CAS number: 13680-35-8
Bioaccumulation: aquatic / sediment
Administrative data
Link to relevant study record(s)
- 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.
Referenceopen allclose all
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
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