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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:
07 May 2020 to 15 February 2021
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to guideline
Guideline:
OECD Guideline 105 (Water Solubility)
Version / remarks:
1995
GLP compliance:
yes (incl. QA statement)
Type of method:
other: Slow-stirring test design
Specific details on test material used for the study:
SOURCE OF TEST MATERIAL
- Batch number of test material: 50101273
- Purity: 99.8% (two isomers)
- Appearance: Colorless to pale yellow, clear liquid
Key result
Water solubility:
0.091 mg/L
Conc. based on:
test mat.
Temp.:
20 °C
pH:
>= 8.06 - <= 8.12
Remarks on result:
other: Standard Deviation: 0.0055 mg/L
Water solubility:
0.06 mg/L
Conc. based on:
test mat.
Loading of aqueous phase:
103 mg/L
Incubation duration:
24 h
Temp.:
20 °C
pH:
8.1
Water solubility:
0.087 mg/L
Conc. based on:
test mat.
Loading of aqueous phase:
101 mg/L
Incubation duration:
48 h
Temp.:
20 °C
pH:
8.12
Water solubility:
0.096 mg/L
Conc. based on:
test mat.
Loading of aqueous phase:
102 mg/L
Incubation duration:
72 h
Temp.:
20 °C
pH:
8.06

After a stirring time of 24 hours, 48 hours and 72 hours at 30 °C, the samples were equilibrated for another 24 hours at 20 °C. Afterwards, the samples were taken through a tap at the bottom of the flask. The test samples were checked for Tyndall effect before dilution with acetonitrile and analyze by HPLC with UV detection. The result found after an incubation time of 48 hours exceeded by more than 15 % (+43 % difference) the result found after an incubation time of 24 hours. After an incubation time of 72 hours, the increase was 10% of the test item concentration in comparison to the 48 hours stirring time.


According to the test guideline, the result found after a defined incubation time should not differ by more than 15 % from the result found after a shorter incubation time. The acceptance criterion for the validity was therefore fulfilled, the saturation was achieved after 48 hours. The study is therefore valid.


The test item, a mix of isomers, gave a chromatographic profile consisting of two peaks, which were both taken into consideration for the calculation.

Conclusions:
The water solubility was found to be 0.0912 ± 0.0055 mg/L at 20 °C.
Executive summary:

In this study the water solubility of the test item was determined based on the OECD Guideline for the Testing of Chemicals, No. 105: Water Solubility,
modified to a slow-stirring test design with stirring times of 24, 48 and 72 hours.


The mean water solubility of the test item at 20 °C was found to be 0.0912 ± 0.0055 mg/L (mean ± standard deviation). The suitability of the analytical method was confirmed.

Description of key information

The water solubility of the test substance was determined at 20°C according to OECD 105 modified to a slow-stirring design. The water solubility was found to be 0.0912 ± 0.0055 mg/L.

Key value for chemical safety assessment

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

Additional information