Registration Dossier
Registration Dossier
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EC number: 249-047-0 | CAS number: 28473-19-0
Bioaccumulation: aquatic / sediment
Administrative data
- Endpoint:
- bioaccumulation: aquatic / sediment
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Study period:
- Not applicable
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: OECD agreed method. Domain not defined for selected model.
- Justification for type of information:
- QSAR prediction: migrated from IUCLID 5.6
Data source
Referenceopen allclose all
- Reference Type:
- other: OECD QSAR Toolbox
- Title:
- Unnamed
- Year:
- 2 012
- Report date:
- 2012
- Reference Type:
- publication
- Title:
- Unnamed
- Year:
- 2 008
- Report date:
- 2008
- Reference Type:
- publication
- Title:
- Unnamed
- Year:
- 2 012
- Report date:
- 2012
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- other: REACH guidance on QSARs R.6, May 2008 [BAF]
- Principles of method if other than guideline:
- EPI Suite was used to estimate the BAF of diisodecyl sebacate via the OECD QSAR Toolbox (v.3.0).
- GLP compliance:
- not specified
- Remarks:
- Not required
Test material
- Reference substance name:
- Diisodecyl sebacate
- EC Number:
- 249-047-0
- EC Name:
- Diisodecyl sebacate
- Cas Number:
- 28473-19-0
- Molecular formula:
- C26H50O4
- IUPAC Name:
- 1,10-bis(2-methylnonyl) decanedioate
- Details on test material:
- SMILES:C(=O)(CCCCCCCCC(=O)OCCCCCCCC(C)C)OCCCCCCCC(C)C
Constituent 1
Results and discussion
Bioaccumulation factor
- Type:
- BAF
- Value:
- 1.047 L/kg
Any other information on results incl. tables
Domain not defined for selected model.
No data on uncertainty is available in the OECD QSAR Toolbox.
Applicant's summary and conclusion
- Validity criteria fulfilled:
- not applicable
- Conclusions:
- The BAF of diisodecyl sebacate was predicted to be 1.05 L/kg wet weight by EPI Suite, using the OECD QSAR Toolbox (v.3.0).
- Executive summary:
The bioaccumulation factor (BAF) of diisodecyl sebacate was predicted using EPI Suite, via the OECD QSAR Toolbox (v.3.0) (OECD, 2012).
BAF was predicted to be 1.05 L/kg wet weight.
The ECHA guidance suggests that QSAR models may be a good way to gain information about the bioaccumulation of a particular chemical (ECHA, 2012b).
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.
