Registration Dossier
Registration Dossier
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EC number: 278-115-2 | CAS number: 75199-13-2
Density
Administrative data
Link to relevant study record(s)
- Endpoint:
- density, other
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a (Q)SAR model, with limited documentation / justification, but validity of model and reliability of prediction considered adequate based on a generally acknowledged source
- Justification for type of information:
- 1. SOFTWARE
/ MODEL
ACD/Labs Percepta Platform - PhysChem Module (as referred by ChemSpider)
2. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
O=C(OCc1ccccc1)c2ccc(cc2)N/N=C3/C(=C(/C#N)C(=O)N(C3=O)CCCC)C
3. ADEQUACY OF THE RESULT
The prediction is obtained from Advanced Chemistry Development, Inc. (ACD/Labs), that is a recognised and generally acknowledged source. - Principles of method if other than guideline:
- Calculation of density was performed by ACD/Labs Percepta Platform - PhysChem Module (as referred by ChemSpider)
- Type of method:
- other: calculation
- Type:
- density
- Density:
- 1.2 g/cm³
- Remarks on result:
- other: calculation
- Conclusions:
- Density 1.2 ± 0.1 g/cm3.
- Executive summary:
A value of density was calculated by ACD/Labs using the SMILE notation as input, resulting in a density of 1.2 ± 0.1 g/cm3.
Reference
Description of key information
Density: 1.2 ± 0.1 g/cm3, calculated value.
Key value for chemical safety assessment
Additional information
A calculated value was used as key study, using the SMILE notation as input. The calculation was performed by ACD/Labs Percepta Platform - PhysChem Module.
Available experimental data on a commercial preparation was reported for completeness sake. However, such value was measured on a sample with a low content of active substance as well as a high content of dispersing agents.
The bulk density and tap density of the test item was evaluated in an experimental study, based on the international test method USP-I.
In addition, data on structural analogue, i.e. Similar Substance 01 as cited in section 13, was found to be comparable to the predicted value on Disperse Yellow 231. In particular, the density of a high purity sample of Similar Substance 01 (a.i. > 97 %) was determined to be 1.28 g/cm3 at 20 °C using a gas comparison pycnometer.
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.
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