Registration Dossier
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EC number: 261-521-9 | CAS number: 58958-60-4
Density
Administrative data
Link to relevant study record(s)
- Endpoint:
- relative density
- 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 adequate and reliable documentation / justification
- Qualifier:
- according to guideline
- Guideline:
- other: REACH Guidance on QSARs R.6
- Principles of method if other than guideline:
- Calculation based on SPARC version v4.6, "Properties" calculation type
- Software tool(s) used including version: SPARC v4.6
- Model(s) used: Properties - Density (g/cm³)
The model utilizes a conventional LFER (Linear Free Energy Relationships), SAR (Structure Activity Relationships) and PMO (Perturbed Molecular Orbital) theory. For the complete method's description see field 'Any other information on materials and methods incl. tables'.
The datasets used for the external validation (1440 molecules) is described in the field 'Any other information on materials and methods incl. tables'. No clear information on the training set is given.
- Model description: see field 'Any other information on materials and methods incl. tables'.
- Justification of QSAR prediction: see field 'Justification for type of information' and 'overall remarks'. - GLP compliance:
- no
- Type of method:
- other: QSAR
- Type:
- density
- Density:
- 0.85 g/cm³
- Temp.:
- 20 °C
- Remarks on result:
- other: same value calculated for all evaluated constituents
- Type:
- relative density
- Density:
- 0.85 other: Relative density has no unit
- Temp.:
- 20 °C
- Remarks on result:
- other: Calculated using the density of water at 4 °C
- Endpoint:
- relative density
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- guideline study without detailed documentation
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.3 (Relative Density)
- Qualifier:
- according to guideline
- Guideline:
- other: PE (European Pharmacopoeia) 2.2.5 - Relative density
- GLP compliance:
- no
- Type of method:
- other: determined according to guidelines EU A.3 and PE (European Pharmacopoeia) 2.2.5
- Type:
- relative density
- Density:
- >= 0.85 - <= 0.854 other: Relative density has no unit
- Temp.:
- 20 °C
Referenceopen allclose all
For detailed description of the model and its applicability, see "Any other information on materials and methods incl. tables".
The same density value was estimated by SPARC for the main constituents of the substance: 0.85 g/cm³.
Description of key information
0.85 at 20 °C (EU Method A.3)
Key value for chemical safety assessment
- Relative density at 20C:
- 0.85
Additional information
The relative density of the substance was determined according to guidelines EU A.3 and PE (European Pharmacopoeia) 2.2.5. Supporting QSAR results with SPARC v4.6 for the main constituents are all equal to each other and to the experimental key value of 0.85 at 20 °C.
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.
