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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:
06 November 2018 to 22 October 2019
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to
Guideline:
OECD Guideline 105 (Water Solubility)
Deviations:
no
Qualifier:
according to
Guideline:
EU Method A.6 (Water Solubility)
Deviations:
no
Qualifier:
according to
Guideline:
EPA OPPTS 830.7840 (Water Solubility)
Deviations:
no
GLP compliance:
yes
Type of method:
column elution method
Specific details on test material used for the study:
Physical Description: Off-white powder (determined by Charles River Den Bosch)
Purity/Composition: See Certificate of Analysis / Purity/Composition correction factor: No correction factor required
Storage Conditions: At room temperature protected from light desiccated
Key result
Water solubility:
< 1 mg/L
Conc. based on:
test mat.
Temp.:
20 °C
pH:
7.6
Remarks on result:
other: at 20°C based on water preliminary solubility test (i.e. 0.0563 µg/L); column elution method is technically not possible
Details on results:
Preliminary Test
The content of test item dissolved in the water sample was 10 µg/L after one centrifugation step and 0.0563 µg/L after a second centrifugation step. Based on this it was concluded that the water solubility is < 1 mg/L.

Main Study
During the main study, multiple blockage of the column frits occurred due to the precipitation of the test item, consequently the frits were changed.

The turbidity of the eluates was high i.e. > 0.2 NTU. Therefore, the samples were filtrated using 0.2 µm Spartan 30/0.2 RC filter (Whatman, Dassel, Germany). A high response was observed in the chromatograms of the blank water solubility samples. This is probably because of contamination of the samples.

Despite all precautions, a very high response far above the validated range (absolute response reaching high end of the digital dynamic range of the detector) was observed in all samples. Based on this it was concluded that it was not possible to prevent the introduction of dispersed material in the final water fractions.

Therefore, it was concluded that the column elution method was technically not possible to be performed.

According to the OECD (2000) poorly (or sparingly) water-soluble test chemicals are those whit a limit of water solubility of < 100 mg/L.1 In addition, ECHA Guidance on Information Requirements and Chemical Safety Assessment section R.7.8.5 (Endpoint Specific Guidance R.7.b)2 and TGD3 suggest that poorly water-soluble substances are those with water solubility below < 1 mg/l.

Based on the preliminary test, the water solubility of the test item was 0.0563 µg/L. Therefore it was considered that the result meets the criteria as poorly (or sparingly) water soluble substance i.e. substance with a limit of water solubility < 1 mg/L.
Conclusions:
The column elution method was applied for the determination of the water solubility of Esacure 1001 M. The column elution method was technically not possible to be performed for the determination of the water solubility. Based on the preliminary water solubility test, the result of the water solubility of the test item at 20°C was < 1 mg/L (i.e. 0.0563 µg/L). The result meets the criteria as poorly (or sparingly) water soluble substance i.e. substance with a limit of water solubility below 1 mg/L according to OECD (2000) and Endpoint Specific Guidance R.7.b.

The pH of the aqueous samples was 7.5 and 7.7.
Executive summary:

The column elution method was applied for the determination of the water solubility of Esacure 1001 M. The study was performed to standardised guidelines and under GLP conditions. The column elution method was technically not possible to be performed for the determination of the water solubility. Based on the preliminary water solubility test, the result of the water solubility of the test item at 20°C was < 1 mg/L (i.e. 0.0563 µg/L). The result meets the criteria as poorly (or sparingly) water soluble substance i.e. substance with a limit of water solubility below 1 mg/L according to OECD (2000) and Endpoint Specific Guidance R.7.b. The pH of the aqueous samples was 7.5 and 7.7.

Description of key information

The column elution method was applied for the determination of the water solubility of Esacure 1001 M. The study was performed to standardised guidelines and under GLP conditions. The column elution method was technically not possible to be performed for the determination of the water solubility. Based on the preliminary water solubility test, the result of the water solubility of the test item at 20°C was < 1 mg/L (i.e. 0.0563 µg/L). The result meets the criteria as poorly (or sparingly) water soluble substance i.e. substance with a limit of water solubility below 1 mg/L according to OECD (2000) and Endpoint Specific Guidance R.7.b. The pH of the aqueous samples was 7.5 and 7.7.

Key value for chemical safety assessment

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

Additional information