Registration Dossier

Administrative data

Endpoint:
water solubility
Type of information:
experimental study
Adequacy of study:
key study
Study period:
06/05/18 - 19/06/18
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2018

Materials and methods

Test guidelineopen allclose all
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

Test material

Reference
Name:
Unnamed
Type:
Constituent
Type:
Constituent
Type:
Constituent
Type:
Constituent
Type:
Constituent
Type:
Constituent
Type:
Constituent
Type:
Constituent
Test material form:
liquid
Specific details on test material used for the study:
THIO ISOCYANATE ADDUCT
Batch: BZA13264
Expiry date: 23/06/2018
Test item storage: At room temperature under nitrogen

Results and discussion

Water solubility
Key result
Water solubility:
<= 6 mg/L
Conc. based on:
test mat.
Loading of aqueous phase:
100 mg/L
Incubation duration:
1 h
Temp.:
20 °C
pH:
7.4
Remarks on result:
other: The test item is prone to hydrolysis
Details on results:
Preliminary Test
The content of test item dissolved in the water sample, based on m/z 393.0-133.0, was 0.0178 mg/L centrifuging once and 0.00564 mg/L centrifuging twice so the slow stirring method was used for the main study. This decrease might have been due to adsorption to the centrifugation vessels, which was considered acceptable.

Main Study 1
The results for the samples taken at 24, 48 and 72 hours are based on a response for the m/z 393.0-133.0 - no response was detected in the samples of m/z 375.0-165.0. The measured concentrations decreased during stirring.

Main Study 2
No test item was detected in the chromatograms of the pre-treated sample from the blank water mixture recorded at both m/z measured.

At a loading rate 10 mg/L. No equilibrium concentration was observed. A maximum concentration was observed for m/z 393.0-133.0 at 4 mg/L, and for m/z 375.0-m/z 165.0 this was 0.4 mg/L. The concentration of test item in the water solubility samples decreased with every sampling time point.

At a loading rate 100 mg/L. After 1 and 3 h of stirring, an equilibrium concentration of 6 mg/L was observed for m/z 393.0-133.0, and 0.3 mg/L for m/z 375.0-165.0. These equilibrium concentrations were in the range of the maximum concentrations at a loading rate of 10 mg/L. After that, the test item concentration decreased.

The water solubility of the test item at 20°C was ≤6 mg/L. The test item was prone to hydrolysis. The pH of the aqueous samples was 7.4 and 7.6.

Applicant's summary and conclusion

Conclusions:
A GLP study was performed using OECD 105, EC Method A.6. & OPPTS 830.7840, and the water solubility of the test item THIO ISOCYANATE ADDUCT at 20 °C was ≤6 mg/L. The test item was prone to hydrolysis, and the pH of the aqueous samples was 7.4-7.6.
Executive summary:

A GLP study was performed using OECD 105, EC Method A.6. & OPPTS 830.7840, and the water solubility of the test item THIO ISOCYANATE ADDUCT at 20 °C was ≤6 mg/L. The test item was prone to hydrolysis, and the pH of the aqueous samples was 7.4-7.6.