Registration Dossier
Registration Dossier
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EC number: 421-450-8 | CAS number: 154702-15-5
Density
Administrative data
- Endpoint:
- density
- Remarks:
- density
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Study period:
- 2014
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: see 'Remark'
- Remarks:
- The applicability domain and adequacy of this QSAR for density have been assessed with respect to this substance. The use of a predicted value for this substance appears adequate for registration in accordance the REACH Regulation and relevant ECHA guidance.
- Justification for type of information:
- QSAR prediction: migrated from IUCLID 5.6
Data source
Referenceopen allclose all
- Reference Type:
- other: QMRF for SPARC 2009 w4.5 for Density
- Title:
- Unnamed
- Year:
- 2 010
- Report date:
- 2010
- Reference Type:
- other: QPRF for SPARC 2009 w4.5 for Density
- Title:
- Unnamed
- Year:
- 2 014
- Report date:
- 2014
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- other: ECHA guidance reporting with QMRF and QPRF
- Deviations:
- not applicable
- Principles of method if other than guideline:
- SPARC (SPARC Performs Automatic Reasoning in Chemistry) 2009 release w4.5.1529-s4.5.1529
- GLP compliance:
- no
- Type of method:
- other: QSAR
Test material
- Reference substance name:
- -
- EC Number:
- 421-450-8
- EC Name:
- -
- Cas Number:
- 154702-15-5
- Molecular formula:
- C44H59N7O5
- IUPAC Name:
- 2-ethylhexyl 4-[(4-{[4-(tert-butylcarbamoyl)phenyl]amino}-6-[(4-{[(2-ethylhexyl)oxy]carbonyl}phenyl)amino]-1,3,5-triazin-2-yl)amino]benzoate
- Details on test material:
- C(C)(C)(NC(=O)c1ccc(Nc2nc(Nc3ccc(C(=O)OCC(CC)CCCC)cc3)nc(n2)Nc2ccc(cc2)C(=O)OCC(CC)CCCC)cc1)C and MW=766
Constituent 1
Results and discussion
Density
- Type:
- density
- Density:
- ca. 1.18 g/cm³
- Temp.:
- 25 °C
Applicant's summary and conclusion
- Conclusions:
- As the predicted density will not significantly affect the safety assessment or safe handling of the substance based on the intended use under the EU REACH Regulation, the predicted value appears appropriate for REACH registration purposes.
- Executive summary:
The predicted value of 1.18 g/cm3 using SPARC appears appropriate and relevant, when considering the information available on the QSAR. As the predicted density will not significantly affect the safety assessment or safe handling of the substance based on the intended use under the EU REACH Regulation, the predicted value appears appropriate for REACH registration purposes.
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.
