Tributyl-2-thiourea

Water solubility

Administrative data

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

from 22 March 2017 to 01 August 2017

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Cross-reference

Reason / purpose for cross-reference:

reference to other study

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2017

Report date:

2017

Materials and methods

Test guideline

Test guideline 1

Qualifier:

according to guideline

Guideline:

EU Method A.6 (Water Solubility)

Version / remarks:

2014

Deviations:

no

Test guideline 2

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

Version / remarks:

1995

Deviations:

no

Test guideline 3

Qualifier:

according to guideline

Guideline:

EPA OPPTS 830.7840 (Water Solubility)

Version / remarks:

1998

Deviations:

no

GLP compliance:

yes

Type of method:

flask method

Test material

Test material information

Constituent 1

Reference substance name:

Tributyl-2-thiourea

EC Number:

219-350-2

EC Name:

Tributyl-2-thiourea

Cas Number:

2422-88-0

Molecular formula:

C13H28N2S

IUPAC Name:

1,1,3-tributylthiourea

Test material form:

liquid

Details on test material:

- Name of test material (as cited in study report): Tri butyl thiourea
- Appearance: Clear pale to medium brown liquid
- Storage conditions: At room temperature

Results and discussion

Water solubility

Key result

Water solubility:

0.016 g/L

Incubation duration:

>= 24 - <= 168 h

Temp.:

20 °C

pH:

>= 6.3 - <= 7

Details on results:

The 72-hour measurement was significantly higher than the 24- and 48- hour measurements (maximum difference > 15%). In order to rule out any erroneous sample preparation of the deviating sample from the 72-h-stirred vessel, this sample was reanalysed in duplicate. Obtained results, however, were comparable to what was obtained during initial analysis.

As observed concentrations increased with stirring time, stirring was prolonged. The 168-hour measurement was, again, significantly higher than the 120- and 144- hour measurements (maximum difference > 15%). Obviously the higher result of the third vessel was linked to the specific water solubility vessel. No observations had been made which could explain the difference in observed concentrations. 120-, 144- and 168-hour measurements illustrated, however, that the equilibrium concentration was already reached. The coefficient of variation obtained for the different water solubility concentrations was 22%. As this approximated what was considered acceptably repeatable during validation, the water solubility of the test item was calculated as the mean value of all measurements.

Any other information on results incl. tables

 Results of the flask method

Stirring time [hours]	Analyzed concentration [g/L]	Mean [g/L]	Maximum difference [%]	pH
24	0.0136			7.0
48	0.0149			7.0
72	0.0210			6.9
72	0.0196			-
72	0.0187			-
120	0.0116			6.5
144	0.0123			6.4
168	0.0173			6.3
		0.016	58

Applicant's summary and conclusion

Conclusions:

The water solubility of the substance at 20°C was determined to be 0.016 g/L.

Executive summary:

The water solubility of the substance was determined using the flask method in a GLP study according to EC A.6, OECD 105 and OPPTS 830.7840. Quantification was performed by LC-MS-MS. As observed concentrations increased with stirring time, stirring was prolonged to 168 h. Maximum difference between all results: 58%. The coefficient of variation obtained for the different water solubility concentrations was 22%. As this approximated what was considered acceptably repeatable during validation, the water solubility of the test item was calculated as the mean value of all measurements (24, 48, 72, 120, 144 and 168 hours). The water solubility at 20°C was determined to be 0.016 g/L. The pH of the aqueous samples ranged from 6.3 to 7.0.