Registration Dossier
Registration Dossier
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EC number: 947-557-4 | CAS number: -
Water solubility
Administrative data
Link to relevant study record(s)
- Endpoint:
- water solubility
- Type of information:
- (Q)SAR
- Adequacy of study:
- supporting study
- Study period:
- 2018-04-26
- 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
- Justification for type of information:
- please refer to 'Attached justification'
- Guideline:
- other: ECHA Guidance R.6
- Principles of method if other than guideline:
- - Software tool(s) used including version:
EPIWIN v4.1
- Model(s) used: WSKOWWIN v1.42
- Model description: see field 'Attached justification'
- Justification of QSAR prediction: see field 'Attached justification' - Specific details on test material used for the study:
- CCOC(OK)=C(C(#N))c1c(F)c(F)c(C(#N))c(F)c1F
- Key result
- Water solubility:
- 239.2 g/L
- Temp.:
- 25 °C
- Remarks on result:
- other: pH not specified in model
- Conclusions:
- The water solubility of the substance was predicted to be 239.2 g/L at 25°C.
- Executive summary:
The water solubility of the registered substance was predicted using WSKOWWIN v1.42, implemented in EPIWIN v4.1. It was predicted to be 239.2 g/L at 25°C.
Reference
Description of key information
In an in-house semi-quantitative hand trial 5.00
g of CPR-1 Stage 1 (batch 2674-3-01-002-03) are suspended in 100.0 g of
E-water and stirred for 4 hours at 20 ° C.
The suspension is filtered
through a glass frit and the filter residue for 6 h at 40 ° C in a
vacuum oven dried.
There remains 1.85 g of dry
residue (CPR-1 Stage 1).
The water solubility was determined to be 31.5 g/L at 20°C
Key value for chemical safety assessment
- Water solubility:
- 31.5 g/L
- at the temperature of:
- 20 °C
Additional information
The in-house semi-quantitative hand trial is supported by QSAR prediction.
The water solubility of the registered substance was predicted using WSKOWWIN v1.42, implemented in EPIWIN v4.1. It was predicted to be 239.2 g/L at 25°C.
So it can be concluded that the test item exhibits a good water solubility.
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.
