Ethyl 9-oxo-9H-thioxanthene-2-carboxylate

Water solubility

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 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)

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

Test material information

Constituent 1

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.