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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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

Physical & Chemical properties

Water solubility

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Endpoint:
water solubility
Type of information:
calculation (if not (Q)SAR)
Remarks:
EpiSuite v4.1.1
Adequacy of study:
weight of evidence
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 limited documentation / justification
Justification for type of information:
Estimated using a well-known software, EPIWIN
Qualifier:
no guideline required
Principles of method if other than guideline:
EpiSuite v4.1.1.
WSKOW v1.42
GLP compliance:
no
Type of method:
other: calculation
Remarks:
calculation
Specific details on test material used for the study:
CAS 35117-05-6
Water solubility:
235.7 mg/L
Temp.:
25 °C
Remarks on result:
other: calculation
Remarks:
WSKOW v1.42; Water Solubility log Kow used: 2.85 (estimated)
Conclusions:
Calculated water solubility of CAS 35117-05-6 is 235.7 mg/L (EpiSuite v4.1.1, WSKOW v1.42)
Executive summary:

Calculated water solubility of CAS 35117-05-6 is 235.7 mg/L (EpiSuite v4.1.1, WSKOW v1.42)

Endpoint:
water solubility
Type of information:
calculation (if not (Q)SAR)
Remarks:
EpiSuite v4.1.1
Adequacy of study:
weight of evidence
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 limited documentation / justification
Justification for type of information:
Estimated using a well-known software, EPIWIN
Qualifier:
no guideline required
Principles of method if other than guideline:
EpiSuite v4.1.1.
Water solubility estimated from fragments: v1.01 est
GLP compliance:
no
Type of method:
other: calculation
Remarks:
calculation
Specific details on test material used for the study:
CAS 35117-05-6
Water solubility:
114.01 mg/L
Temp.:
25 °C
Remarks on result:
other: calculation
Remarks:
from fragments, v1.01 est
Conclusions:
Calculated water solubility of CAS 35117-05-6 is 114.01 mg/L (EpiSuite v4.1.1, from fragments, v1.01 est)
Executive summary:

Calculated water solubility of CAS 35117-05-6 is 114.01 mg/L (EpiSuite v4.1.1, from fragments, v1.01 est)

Description of key information

Calculated water solubility is 175 mg/L (average of 114.01 mg/L (from Fragments) and 235.7 mg/L (from Kow)

Key value for chemical safety assessment

Water solubility:
175 mg/L
at the temperature of:
25 °C

Additional information