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Physical & Chemical properties

Water solubility

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Endpoint:
water solubility
Type of information:
other: Information obtained from secondary source
Adequacy of study:
weight of evidence
Reliability:
4 (not assignable)
Rationale for reliability incl. deficiencies:
other: The result is sourced from secondary literature. The original reference was not available for review and no further information is available.
Principles of method if other than guideline:
Information on method and guideline not stated.
GLP compliance:
not specified
Type of method:
other: Not stated
Water solubility:
19.6 mg/L
Temp.:
25 °C
Remarks on result:
other: No pH reported
Conclusions:
Interpretation of results (migrated information): slightly soluble (0.1-100 mg/L)
A water solubility value of 19.6 mg/L at 25°C was reported in a secondary literature. The original reference was not available for review and no further information is available. The reliability of this result is not assignable.
Endpoint:
water solubility
Type of information:
other: Information obtained from secondary source
Adequacy of study:
weight of evidence
Reliability:
4 (not assignable)
Rationale for reliability incl. deficiencies:
other: The result is sourced from secondary literature. The original reference was not available for review and no further information is available.
Principles of method if other than guideline:
Information on method and guideline not available.
GLP compliance:
not specified
Type of method:
other: Not stated
Water solubility:
19.6 mg/L
Temp.:
25 °C
Remarks on result:
other: No pH reported
Conclusions:
Interpretation of results (migrated information): slightly soluble (0.1-100 mg/L)
A water solubility value of 19.6mg/L at 25°C was reported in a secondary literature. The original reference was not available for review and no further information is available. The reliability of this result is not assignable.
Endpoint:
water solubility
Type of information:
(Q)SAR
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 adequate and reliable documentation / justification
Principles of method if other than guideline:
The result was obtained using an appropriate QSAR method (see attached QMRF and QPRF for details).

The model is the publically available WaterNT v1.01 program (US EPA 2012). WaterNT is part of EPI Suite v4.11 and may be downloaded from http://www.epa.gov/oppt/exposure/pubs/episuite.htm. The model is based on fragment values. That is, the chemical structure is broken down into its constituent functional groups, and the contribution of each group toward the overall solubility is calculated.

US EPA 2012. WaterNT v. 1.01, US EPA. 2012. Estimation Programs Interface Suite™ for Microsoft® Windows, v 4.10. United States Environmental Protection Agency, Washington, DC, USA. Available at http://www.epa.gov/oppt/exposure/pubs/episuite.htm.
GLP compliance:
no
Water solubility:
90 mg/L
Temp.:
20 °C
pH:
7
Conclusions:
Interpretation of results (migrated information): slightly soluble (0.1-100 mg/L)
A water solubility value of 90 mg/L at 20°C was obtained for the substance using an accepted calculation method. The result is considered to be reliable.

Description of key information

Water solubility (tetramethylsilane): 19.6 -90 mg/l at 20-25°C

Key value for chemical safety assessment

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

Additional information

An attempt to measure a water solubility value of the substance using shake flask method in accordance with OECD 105 was considered unsuccesful due to the chemical properties of the substance especially its high volatility. The water solubility of the substance was measured using a modified shake flask method; the modification involves the use of slow-stir method in order to avoid formation of suspension as well as exclusion of pre-incubation at 30°C. Feasibility analyses of the substance in water and standard calibration curves were conducted using gas chromatography. However, the result of water extraction efficiency showed that acceptable extraction efficiencies could not be obtained. The use of several solvents and techniques in order to optimize recovery of the substance from water samples yielded no greater than 22% recovery. Therefore, the water solubility of the substance was assessed using available data from secondary sources and validated QSAR prediction method. Water solubilities in the range 19.6 - 90 mg/l at 20-25°C were determined for the submission substance. The results are used as weight of evidence. The lowest water solubility (19.6 mg/l at 25°C) was used for assessment purposes, using a worst case approach.