Registration Dossier
Registration Dossier
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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: 947-995-6 | CAS number: -
Water solubility
Administrative data
Link to relevant study record(s)
- Endpoint:
- water solubility
- Type of information:
- calculation (if not (Q)SAR)
- Remarks:
- Migrated phrase: estimated by calculation
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Accepted calculation method
- Principles of method if other than guideline:
- Calculation with ACD/Percepta, Version 14.0.0 developed and maintained by Advanced Chemistry Development, Inc., 2008.
- GLP compliance:
- no
- Type of method:
- other: QSAR
- Water solubility:
- 0 mg/L
- Temp.:
- 25 °C
- pH:
- 7
Reference
The solubility of all components is calculated at several pH values ranging from 1.7 to 8.0 reflecting solubility in various media:
pH = 1.7 (Stomach)
pH = 4.6 (Duodenum)
pH = 6.5 (Jejunum and Ileum)
pH = 7.4 (Blood)
pH = 8.0 (Colon)
Results for each component stable over the pH range.
Description of key information
Key value for chemical safety assessment
- Water solubility:
- 0 mg/L
- at the temperature of:
- 25 °C
Additional information
An estimation of the water solubility was performed by means of a QSAR model (ACD) resulting in a value of 8.0E-7 mg/L.
Based on all these findings it was concluded that the water solubility of the test substance is < 1 mg/L.
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