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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

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.

Diss Factsheets

Some information in this page has been claimed confidential.

Administrative data

Endpoint:
water solubility
Type of information:
(Q)SAR
Adequacy of study:
key study
Study period:
2018
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
accepted calculation method
Remarks:
Scientific QSAR validated

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2018

Materials and methods

Principles of method if other than guideline:
QSAR
1. SOFTWARE
WSKOWWIN EPIWIN program of the US EPA (Environmental protection Agency )
2. MODEL (incl. version number)







GLP compliance:
no
Other quality assurance:
other: Educational and practical background of Author
Remarks:
educational and professional experience of experimentator
Type of method:
other: QSAR
Remarks:
Scientific QSAR

Test material

Specific details on test material used for the study:
SOURCE OF TEST MATERIAL
- Source and lot/batch No.of test material: The test material is representative of the registered substance
- Expiration date of the lot/batch: not relevant
- Purity test date: not relevant

STABILITY AND STORAGE CONDITIONS OF TEST MATERIAL
- Storage condition of test material: at room temperature in the dark
- Stability under test conditions: stable
- Solubility and stability of the test substance in the solvent/vehicle: soluble

TREATMENT OF TEST MATERIAL PRIOR TO TESTING
- Treatment of test material prior to testing: none
- Preliminary purification step (if any): none

Results and discussion

Water solubility
Key result
Water solubility:
ca. 10 - ca. 100 000 mg/L
Conc. based on:
test mat.
Temp.:
25 °C
pH:
>= 3 - <= 6
Remarks on result:
other: QSAR
Remarks:
calculated for several predicted const. but result not assumed to be realistic
Details on results:
Confidential

Applicant's summary and conclusion

Conclusions:
Water solubility calculated by EPIWIN QSAR fragment method was ca. 10 and ca.1000 mg/L for postulated constit., but these data were not representative for the industrial product which is solubule >100 g/L

Executive summary:

The solubility of the indsutrial product is >100 g/L