Registration Dossier
Registration Dossier
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EC number: 279-459-6 | CAS number: 80410-33-9
Bioaccumulation: aquatic / sediment
Administrative data
- Endpoint:
- bioaccumulation in aquatic species: fish
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Study period:
- 2018
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model, but not (completely) falling into its applicability domain, with adequate and reliable documentation / justification
- Justification for type of information:
- 1. SOFTWARE
OASIS Catalogic v5.12.1
2. MODEL (incl. version number)
BCF base-line model v02.09 - July 2017
3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
See section 'Test Material'.
4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
See attached QMRF.
5. APPLICABILITY DOMAIN
See attached QPRF.
6. ADEQUACY OF THE RESULT
- The model is scientifically valid (see attached QMRF).
- The model estimates the Bioconcentration factor (BCF) as required information point according to Regulation (EC) No 1907/2006 [REACH], Annex IX, 9.3.2 Bioaccumulation in aquatic species (preferably fish);
further related predictions: Apparent effect of mitigating factors / Maximum bioconcentration factor (BCFmax) / Maximum diameter of energetically stable conformers / Whole body primary biotransformation half-life / Metabolic biotransformation rate constant Km / Metabolites and their quantitative distribution
- See attached QPRF for reliability assessment.
Data source
Referenceopen allclose all
- Reference Type:
- publication
- Title:
- Simulation of chemical metabolism for fate and hazard assessment. III. New developments of the bioconcentration factor base-line model.
- Author:
- S. Dimitrov, N. Dimitrova, D. Georgieva, K. Vasilev, T. Hatfield, J. Straka & O. Mekenyan.
- Year:
- 2 012
- Bibliographic source:
- SAR and QSAR in Environ. Res. (2012) 23(1-2): 17-36.
- Reference Type:
- publication
- Title:
- Simulation of chemical metabolism for fate and hazard assessment. I. Approach for simulating metabolism, SAR and QSAR
- Author:
- Dimitrov, S., Pavlov, T., Veith, G., Mekenyan, O.
- Year:
- 2 011
- Bibliographic source:
- Environ. Res. 22(7-8): 699-718
- Reference Type:
- publication
- Title:
- Base-line model for identifying the bioaccumulation potential of chemicals
- Author:
- Dimitrov S, Dimitrova N, Parkerton T, Comber M, Bonnell M, Mekenyan O
- Year:
- 2 005
- Bibliographic source:
- SAR and QSAR in Environmental Research, 16(6), 1-24
- Reference Type:
- grey literature
- Title:
- Discussion paper for the TC NES subgroup on PBTs. Rep. ACHS/06/11A
- Author:
- Comber M, Robertson S, Sijm DTHM
- Year:
- 2 006
- Bibliographic source:
- EU Commission, Technical Committee on New and Existing Substances (TC NES)
- Reference Type:
- other: Catalogic calculation
- Title:
- Unnamed
- Year:
- 2 018
- Report date:
- 2018
Materials and methods
- Principles of method if other than guideline:
- Calculation using Catalogic v.5.12.1, BCF base-line model v.02.09
- GLP compliance:
- no
Test material
- Reference substance name:
- Tris[2-[[2,4,8,10-tetra-tert-butyldibenzo[d,f][1,3,2]dioxaphosphepin-6-yl]oxy]ethyl]amine
- EC Number:
- 279-459-6
- EC Name:
- Tris[2-[[2,4,8,10-tetra-tert-butyldibenzo[d,f][1,3,2]dioxaphosphepin-6-yl]oxy]ethyl]amine
- Cas Number:
- 80410-33-9
- Molecular formula:
- C90H132NO9P3
- IUPAC Name:
- 2-[(2,4,8,10-tetra-tert-butyldibenzo[d,f][1,3,2]dioxaphosphepin-6-yl)oxy]-N,N-bis{2-[(2,4,8,10-tetra-tert-butyldibenzo[d,f][1,3,2]dioxaphosphepin-6-yl)oxy]ethyl}ethanamine
Constituent 1
Test conditions
- Details on estimation of bioconcentration:
- BASIS FOR CALCULATION OF BCF
- Estimation software: OASIS Catalogic v5.12.1 [BCF base line model - v.02.09]
Results and discussion
Bioaccumulation factoropen allclose all
- Type:
- BCF
- Value:
- 7.41 L/kg
- Remarks on result:
- other: considering all mitigating factors; the substance is not completely within the applicability domain of the model.
- Type:
- BCF
- Value:
- 9.14 L/kg
- Remarks on result:
- other: without considering any mitigating factors; the substance is not completely within the applicability domain of the model.
Applicant's summary and conclusion
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.
