Registration Dossier
Registration Dossier
Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.
The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.
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EC number: 249-047-0 | CAS number: 28473-19-0
Toxicity to reproduction: other studies
Administrative data
- Endpoint:
- toxicity to reproduction: other studies
- Type of information:
- (Q)SAR
- Adequacy of study:
- supporting study
- Study period:
- Not applicable
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: OECD agreed method
- 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
- 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 [Oestrogen receptor binding assay]
- Principles of method if other than guideline:
- A QSAR model (Danish EPA DB) was applied to diisodecyl sebacate to predict its activity in an oestrogen receptor binding assay
- GLP compliance:
- no
- Remarks:
- Not required
- Type of method:
- other: QSAR
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
Effect levels
- Dose descriptor:
- other: Negative
- Remarks on result:
- not measured/tested
- Remarks:
- Effect level not specified (migrated information)
Any other information on results incl. tables
No
explicit domain available. Predictions and domain results are
pre-calculated and stored in database.
In domain.
In a MC4PC v. 2005 five-fold 2 * 50% cross-validation of this model:
Sensitivity was 77.3%
Specificity was 86.5%
Concordance was 82.5%
Applicant's summary and conclusion
- Conclusions:
- Diisodecyl sebacate was not predicted to be an oestrogen receptor binder by the Danish EPA DB, applied via the OECD QSAR Toolbox (v.3.0).
- Executive summary:
The potential for diisodecyl sebacate to bind the oestrogen receptor in a relative oestrogen receptor binding assay was assessed using the Danish EPA DB, via the OECD QSAR Toolbox (v.3.0) (OECD, 2012).
Diisodecyl sebacate was not considered to be an oestrogen receptor binder.
The REACH guidance suggests that QSAR models for reproductive toxicity can be used as part of a weight of evidence approach, provided the applicability domain is appropriate, but that "a negative result from current QSAR models cannot be interpreted as demonstrating the absence of a reproductive hazard unless there is other supporting evidence" (ECHA, 2012a).
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.
