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Water solubility

Link to relevant study record(s)

Reference

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

Experiment start date - 18 March 2010; Experiment completion date - 16 April 2010; Study completion date - 08 June 2010.

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

EU Method A.6 (Water Solubility)

Deviations:

yes

Remarks:

- The incubation time was performed at 20 °C and the equilibration time was omitted in order to prevent hydrolytic degradation of the test item. Additionally, time points after 2 hours, 4 hours and 6 hours of incubation were performed.

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

Deviations:

yes

Remarks:

- The incubation time was performed at 20 °C and the equilibration time was omitted in order to prevent hydrolytic degradation of the test item. Additionally, time points after 2 hours, 4 hours and 6 hours of incubation were performed.

GLP compliance:

yes (incl. QA statement)

Type of method:

flask method

Specific details on test material used for the study:

Identification: FAT 40851/A TE
Batch Number: TZ 5891 / BOP 02-09
Purity: 69.9 % all coloured components
Appearance: Orange powder
Expiry Date: July 31, 2014
Storage Conditions: At room temperature at about 20 °C

Water solubility:

88.3 g/L

Conc. based on:

test mat.

Temp.:

20 °C

pH:

6.3

Data of the Performance of the Water Solubility Test after 24, 48 and 72 hours shaking

Sample Solution No.	1	2	3	4	5	6
Weighed sample of the test item [g]	2.55518	2.53444	2.53497	2.50421	2.50772	2.55176
Added volume of water [mL]	10	10	10	10	10	10
Agitation time at 20 °C [hours]	72	72	48	48	24	24
pH value of test item solution	5.99	6.01	5.99	5.99	6.05	6.03
Dilution factor before quantification	5000	5000	5000	5000	5000	5000

 

Data of the Performance of the Water Solubility Test after 2, 4 and 6 hours shaking

Sample Solution No.	1	2	3	4	5	6
Weighed sample of the test item [g]	2.52415	2.49444	2.54571	2.45079	2.50676	2.58381
Added volume of water [mL]	10	10	10	10	10	10
Agitation time at 20 °C [hours]	6	6	4	4	2	2
pH value of test item solution	6.03	6.04	6.03	6.02	6.02	6.02
Dilution factor before quantification	5000	5000	5000	5000	5000	5000

Results of the Water Solubility of test substance

Sample No.	Shaking time at 20 °C [hours]	Concentration analyzed [µg/mL]	Concentration calculated [g/L]	Water solubility calculated (rounded) [g/L]
1	72	17.353	86.77	88.30 SD = ±11.329
2		17.160	85.80
3	48	17.875	89.38
4		18.313	91.56
5	24	15.034	75.17
6		14.646	73.23
7	6	16.801	84.00
8		17.123	85.62
9	4	17.483	87.42
10		22.575	112.88
11	2	21.224	106.12
12		16.334	81.67

The saturation mass concentration is calculated from the bold valuesSD = standard deviation

Conclusions:

The water solubility of test substance was determined to be about 88.3 g/L at 20 °C and a pH of 6.0. FAT 40851/A was found to be very soluble (>10000 mg/L).

Executive summary:

The determination of the water solubility of test substance was performed under GLP according to the EEC Directive 92/69, A.6 ”Water Solubility” (2008), the Council Regulation (EC) No. 440/2008, A.6 and the OECD guideline No. 105, ”Water Solubility” (1995) using the flask shaking method. In the main test, the samples were shaken for 2 hours, 4 hours, 6 hours, 24 hours, 48 hours and 72 hours, respectively, at 20 °C. Afterwards, the samples were centrifuged, filtered, diluted and analyzed by HPLC. The water solubility of test substance at 20 °C was determined to be 88.3 g/L with a standard deviation of ± 11.3. The water solubility was not corrected for the purity of the test item. The measured results differ by less than 15 %. Therefore, the study is considered to be valid. The water solubility of test substance was determined to be about 88.3 g/L at 20 °C and a pH of 6.0. FAT 40851/A was found to be very soluble (>10000 mg/L).

Description of key information

The substance is very soluble (88.3 g/L) in water.

Key value for chemical safety assessment

Water solubility:

88.3 g/L

at the temperature of:

20 °C

Additional information

The determination of the water solubility of test substance was performed under GLP according to the EEC Directive 92/69, A.6 ”Water Solubility” (2008), the Council Regulation (EC) No. 440/2008, A.6 and the OECD guideline No. 105, ”Water Solubility” (1995) using the flask shaking method. In the main test, the samples were shaken for 2 hours, 4 hours, 6 hours, 24 hours, 48 hours and 72 hours, respectively, at 20 °C. Afterwards, the samples were centrifuged, filtered, diluted and analyzed by HPLC. The water solubility of test substance at 20 °C was determined to be 88.3 g/L with a standard deviation of ± 11.3. The water solubility was not corrected for the purity of the test item. The measured results differ by less than 15 %. Therefore, the study is considered to be valid. The water solubility of test substance was determined to be about 88.3 g/L at 20 °C and a pH of 6.0. FAT 40851/A was found to be very soluble (>10000 mg/L).