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Administrative data

Endpoint:
water solubility
Type of information:
experimental study
Adequacy of study:
key study
Study period:
05 Jul - 23 Sep 2016
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Remarks:
GLP guideline study

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2016
Report date:
2016

Materials and methods

Test guidelineopen allclose all
Qualifier:
according to guideline
Guideline:
EU Method A.6 (Water Solubility)
Qualifier:
according to guideline
Guideline:
OECD Guideline 105 (Water Solubility)
GLP compliance:
yes (incl. QA statement)
Remarks:
LUBW, Landesanstalt für Umwelt, Messungen und Naturschutz Baden-Württemberg, Karlsruhe, Germany
Type of method:
column elution method

Test material

Constituent 1
Chemical structure
Reference substance name:
Ethyl 9-oxo-9H-thioxanthene-2-carboxylate
EC Number:
280-960-7
EC Name:
Ethyl 9-oxo-9H-thioxanthene-2-carboxylate
Cas Number:
83817-60-1
Molecular formula:
C16H12O3S
IUPAC Name:
ethyl 9-oxo-9H-thioxanthene-2-carboxylate
Specific details on test material used for the study:
- Appearance: solid / pale yellow
- Expiration date of the lot/batch: 2017-04-27

Results and discussion

Water solubility
Water solubility:
49.8 µg/L
Temp.:
20 °C
pH:
5.94
Remarks on result:
other: Temperature range of 19.6 - 20.3 °C was given in report. The mean value of both (20.0 °C) was reported.

Any other information on results incl. tables

Table 3 Preliminary test results in ultra-pure water (1000 g/L to 1 g/L)

Test Item

[mg]

Total volume of water

[mL]

Time of shaking

Remarks

Approx. solubility

100.1

0.10

10 min

Not dissolved completely

< 1001

0.50

10 min

Not dissolved completely

< 200.2

1.0

10 min

Not dissolved completely

< 100.1

2.0

10 min

Not dissolved completely

< 50.05

10

10 min

Not dissolved completely

< 10.01

100

10 min

Not dissolved completely

< 1

100

18 hours

Not dissolved completely

< 1

100

23 hours

Not dissolved completely

< 1

100

24 hours

Not dissolved completely

< 1

Table 4 Preliminary test results in ultra-pure water (0.1 g/L to 0.01 g/L)

Test Item

[mg]

Total volume of water

[mL]

Time of shaking

Remarks

Approx. solubility

10.0

100

10 min

Not dissolved completely

< 0.1

200

10 min

Not dissolved completely

< 0.05

500

3 hours

Not dissolved completely

< 0.02

1000

3 hours

Not dissolved completely

< 0.01

1000

16 hours

Not dissolved completely

< 0.01

1000

24 hours

Not dissolved completely

< 0.01

1000

72 hours

Not dissolved completely

< 0.01

Therefore, the approximate solubility of the test item was estimated to be below 0.01 g/L at 20 ± 0.5 °C.

Table 5 Results of the water solubility of [Trade Name] in ultra-pure water (being in equilibrium with atmospheric carbon dioxide) at 11.1 mL/h at 20 ± 0.5 °C

Sampling Time

[h]

Calculated Concentration [mg/L]

pH value

99

0.04180

6.16

119

0.04122

5.76

147

0.03906

5.75

171

0.04314

5.81

189

0.04400

5.94

Overall Mean:

0.04184

5.88

Standard Deviation:

0.00190

0.17

RSD* [%]:

4.5

2.9

*RSD: relative standard deviation

Table 6 Results of the water solubility of [Trade Name] in ultra-pure water (being in equilibrium with atmospheric carbon dioxide) at 25.4 mL/h at 20 ± 0.5 °C

Sampling Time

[h]

Calculated Concentration [mg/L]

pH value

99

0.05994

6.15

119

0.05710

5.85

147

0.05720

5.91

171

0.05556

6.03

189

0.05870

6.08

Overall Mean:

0.05770

6.00

Standard Deviation:

0.00167

0.12

RSD* [%]:

2.9

2.0

*RSD: relative standard deviation

The guideline (OECD 105) describes a difference of 30% between the mean water solubility results of two columns with different flow rates for solubilities below 10-2 g/L (10 mg/L) as acceptable.

The water solubility at two different elution velocities differs by 27% from each other.

Applicant's summary and conclusion