2-Propenoic acid, 1,1'-[7,13-dimethyl-10-(3-methyl-11-oxo-2,4,7,10-tetraoxatridec-12-en-1-yl)-10-[[2-[(9-oxo-9H-thioxanthen-2-yl)oxy]acetyl]amino]-3,6,8,12,14,17-hexaoxanonadecane-1,19-diyl] ester

Water solubility

Administrative data

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Reliability:

1 (reliable without restriction)

Cross-reference

Reason / purpose for cross-reference:

reference to same study

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2015

Materials and methods

Test guideline

Test guideline 1

Qualifier:

according to guideline

Guideline:

EU Method A.6 (Water Solubility)

Test guideline 2

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

Test guideline 3

Qualifier:

according to guideline

Guideline:

EPA OPPTS 830.7840 (Water Solubility)

Principles of method if other than guideline:

/

GLP compliance:

yes (incl. QA statement)

Type of method:

flask method

Test material

Test material information

Constituent 1

Reference substance name:

7,13-dimethyl-10-{2-[(9-oxo-9H-thioxanthen-2-yl)oxy]acetamido}-19-(prop-2-enoyloxy)-10-[(1-{2-[2-(prop-2-enoyloxy)ethoxy]ethoxy}ethoxy)methyl]-3,6,8,12,14,17-hexaoxanonadecan-1-yl prop-2-enoate

EC Number:

800-991-7

Cas Number:

1427388-03-1

Molecular formula:

C46 H61 N O18 S

IUPAC Name:

7,13-dimethyl-10-{2-[(9-oxo-9H-thioxanthen-2-yl)oxy]acetamido}-19-(prop-2-enoyloxy)-10-[(1-{2-[2-(prop-2-enoyloxy)ethoxy]ethoxy}ethoxy)methyl]-3,6,8,12,14,17-hexaoxanonadecan-1-yl prop-2-enoate

Test material form:

liquid: viscous

Details on test material:

> 99 wt%

Results and discussion

Water solubility

Water solubility:

4.87 mg/L

Temp.:

20 °C

pH:

> 6.7 - < 6.9

Any other information on results incl. tables

1.1.1.   Preliminary test

The content of test substance dissolved in the water sample was 1.80 mg/l in Experiment 1 and

97.2 mg/l without centrifugation and 3.49 mg/l after three consecutive centrifugation steps in Experiment 2.

 

1.1.2.   Main study

The results of the second main study for the samples taken at 24, 48 and 72 hours are given in

Table9.

 

The maximum difference (MD) of the concentrations determined in the 24, 48 and 72 hour test samples was > 15%. Since the analysed concentration increased with time, the stirring period was prolonged. The samples were analyzed without centrifugation since this sample treatment step appeared to influence the analysed concentration.

 

The results for the samples taken at 100, 124 and 148 hours are given inTable9. The 124-hour measurement was significantly higher than the 100- and 148- hour measurements (maximum difference (MD) > 15%) after the prolonged stirring period. Based on this, the water solubility of the test substance was given as the mean value of the 100- and 148-hour measurements.

 

No test substance was detected in the pretreated sample from the blank water mixture.

 

Table9           Water solubility of the test substance

Stirring time [hours]	Sample treatment step	Analysed concentration [mg/l]	Mean [mg/l]	MD [%]	pH
24	Centrifugation	2.37	2.79^1	33^1	6.1
48	Centrifugation	2.72			6.1
72	Centrifugation	3.29			6.0
100	Direct sampling	5.02	4.87^2	6.0^2	6.7
124	Direct sampling	7.74			6.7
148	Direct sampling	4.72			6.9

1           For the 24-, 48- and 72-hour samples after centrifugation.

2           For the 100-, 124- and 148-hour samples after direct sampling.

 

 

1.2.    Conclusion

The slow-stirring flask method was applied for the determination of the water solubility of V125226.

 

The water solubility of the test substanceat 20°C was 4.87 mg/l.

 

The pH of the aqueous samples was 6.7 – 6.9.

Applicant's summary and conclusion

Conclusions:

Interpretation of results: slightly soluble (0.1-100 mg/L)