Registration Dossier
Registration Dossier
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EC number: 601-371-7 | CAS number: 115555-77-6
Bioaccumulation: aquatic / sediment
Administrative data
- Endpoint:
- bioaccumulation in aquatic species: fish
- Type of information:
- (Q)SAR
- Adequacy of study:
- supporting study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model and falling into its applicability domain, with limited documentation / justification
- Justification for type of information:
- QSAR prediction: migrated from IUCLID 5.61. SOFTWARE: EPIWEB 4.11
2. MODEL (incl. version number): BCFBAF v3.01
3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL: CCCCN(H)(CL)(CCCCL)CCCC
Data source
Reference
- Reference Type:
- other: (Q)SAR
- Title:
- Estimation Programs Interface Suite™ for Microsoft® Windows, v 4.11 (EPIWEB 4.11)
- Author:
- United States Environmental Protection Agency, Washington, DC, USA.
- Year:
- 2 012
- Bibliographic source:
- BCFBAF (v3.01) Program
Materials and methods
Test guideline
- Guideline:
- other: REACH Guidance on (Q)SAR
Test material
- Reference substance name:
- dibutyl(3-chloropropyl)amine hydrochloride
- EC Number:
- 601-371-7
- Cas Number:
- 115555-77-6
- Molecular formula:
- C11 H24 Cl N, HCl
- IUPAC Name:
- dibutyl(3-chloropropyl)amine hydrochloride
- Test material form:
- solid
Constituent 1
- Specific details on test material used for the study:
- CAS: 115555-77-6
SMILES: CCCCN(H)(CL)(CCCCL)CCCC
Results and discussion
Bioaccumulation factoropen allclose all
- Type:
- BCF
- Value:
- 3.16 L/kg
- Basis:
- whole body w.w.
- Calculation basis:
- other: regression base estimation
- Type:
- BAF
- Value:
- 3.61 L/kg
- Basis:
- whole body w.w.
- Remarks:
- Fish
- Calculation basis:
- other: Arnot-Gobas upper trophic
Any other information on results incl. tables
BCFBAF Program (v3.01) Results:
See attachment in Attached background material for more details.
Applicant's summary and conclusion
- Conclusions:
- Estimated Log BCF = 0.50 (BCF = 3.16 L/kg wet-wt)
BCF<500: No bioconcentration expected
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