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Physical & Chemical properties

Water solubility

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Reference
Endpoint:
water solubility
Type of information:
experimental study
Adequacy of study:
key study
Study period:
from 2018-01-05 to 2018-01-30
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Reference:
Composition 0
Qualifier:
according to
Guideline:
OECD Guideline 105 (Water Solubility)
Deviations:
yes
Remarks:
see 'Principles of method if other than guideline'
Qualifier:
according to
Guideline:
EU Method A.6 (Water Solubility)
Deviations:
yes
Remarks:
see 'Principles of method if other than guideline'
Qualifier:
according to
Guideline:
EPA OPPTS 830.7840 (Water Solubility)
Deviations:
yes
Remarks:
see 'Principles of method if other than guideline'
Principles of method if other than guideline:
A miscibility test was carried out to evaluate the solubility of Test Item in water. This procedure deviates from the guideline but is considered scientifically valid.
During the method validation study solubility pre-test was performed. Based on this experiment the test item was considered to be miscible with water. The water solubility test based on the OECD 105, EC A.6 and OPPTS 830.7840 guidelines is technically not feasible because no saturated solution could be prepared.
GLP compliance:
yes (incl. certificate)
Type of method:
other: miscibility test with visual inspection
Test material information:
Composition 1
Key result
Temp.:
20 °C
pH:
>= 0 - <= 1.01
Remarks on result:
completely miscible

Table 1: Water solubility test

Test Item, (g)

Water, (mL)

Observation

pH value

0.5044

4.5

clear, homogeneous single-phase liquid

1.01*

0.5043

4.5

clear, homogeneous single-phase liquid

1.02*

0.5110

4.5

clear, homogeneous single-phase liquid

1.01*

1.0046

1.0

clear, homogeneous single-phase liquid

0.40*

1.0074

1.0

clear, homogeneous single-phase liquid

0.30*

1.0063

1.0

clear, homogeneous single-phase liquid

0.31*

4.5063

0.5

clear, homogeneous, single-phase, slightly viscous liquid

not measurable (< 0)

4.5138

0.5

clear, homogeneous, single-phase, slightly viscous liquid

not measurable (< 0)

4.5084

0.5

clear, homogeneous, single-phase, slightly viscous liquid

not measurable (< 0)

*extrapolated value (the lowest calibrated value of the pH electrode is 1.675)

 

Conclusions:
The test item is completely miscible in water at ambient temperature.
Executive summary:

The water solubility was determined according to OECD 105, Regulation (EC) No. 440/2008 method A.6 and OPPTS 830.7840. In a preliminary test no saturated solution of the test item could be prepared, therefore, the standard methods for determination of the water solubility are technically not feasible. Therefore, the water solubility of the test item was determined using the miscibility test with visual detection. The test item was mixed with ultrapure water in rations 1 :1, 1 : 9 and 9 : 1. After sonication and vigorous shaking the solubility was visually detected. The pH of each sample was recorded. The test substance was determined to be completely miscible in water at ambient temperature (pH 0 - 1).

Description of key information

The test item is completely miscible in water at ambient temperature. For further risk assessment a maximum default value of 100000 mg/L was used.

Key value for chemical safety assessment

Water solubility:
100 000 mg/L
at the temperature of:
20 °C

Additional information

The water solubility was determined according to OECD 105, Regulation (EC) No. 440/2008 method A.6 and OPPTS 830.7840. In a preliminary test no saturated solution of the test item could be prepared, therefore, the standard methods for determination of the water solubility are technically not feasible. Therefore, the water solubility of the test item was determined using the miscibility test with visual detection. The test item was mixed with ultrapure water in rations 1 :1, 1 : 9 and 9 : 1. After sonication and vigorous shaking the solubility was visually detected. The pH of each sample was recorded. The test substance was determined to be completely miscible in water at ambient temperature (pH 0 - 1).

A QSAR estimation supports the experimentally obtained results. The water solubility was calculated using WSKOWWIN v1.42 as part of EPISuite v4.11 from US Environmental Protection Agency. Using WSKOWWIN v1.42 the water solubility of the test item was calculated to be789000 mg/Lat 25 °C (EPI Suite, 2014).

For further risk assessment a maximum default value of 100000 mg/L was used.