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Water solubility

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Reference
Endpoint:
water solubility
Type of information:
experimental study
Adequacy of study:
key study
Study period:
23 May 2016 to 14 June 2016
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to guideline
Guideline:
OECD Guideline 105 (Water Solubility)
Version / remarks:
1995
Deviations:
no
Qualifier:
according to guideline
Guideline:
EU Method A.6 (Water Solubility)
Version / remarks:
2008
Deviations:
no
GLP compliance:
yes (incl. QA statement)
Type of method:
flask method
Key result
Water solubility:
2 507 mg/L
Conc. based on:
test mat.
Incubation duration:
72 h
Temp.:
20 °C
pH:
>= 6.38 - <= 6.89
Remarks on result:
other: 95 % confidence interval: ± 88.4 mg/L
Details on results:
CALIBRATION
- Calibration samples were prepared from potassium hydrogen phthalate. Six concentration levels were tested: 2, 5, 10, 20, 50 and 100 mg/L, which corresponds about 1 – 48 mg carbon/L. The calibration graph was calculated applying linear regression.
- Intercept: 0.538
- Slope: 2.786
- Correlation Coefficient: 0.9999

ANALYSIS OF THE SAMPLES
- pH of the samples varied in the range of 6.38 - 6.89.
- Samples were analysed with TOC.
- Results of the determination of test material concentrations can be seen in Table 1.

CONCLUSION
- In conclusion, the water solubility of the test material was determined to be 1810 ± 63.8 mg carbon/L (95 % confidence interval) at 20 ± 1 °C using the shakeflask method for the performance of the main test.
- Based on the molecular composition of the test material (C7H6O2 C6H6O)x the carbon content of this polymer is 72.2 % of the molecular weight. Therefore the calculated water solubility is 2507 ± 88.4 mg/L for test material.

Table 1: Results of the determination of test material concentrations

Measured

concentration

after 24 hours

(mg C/L)

pH

Measured

concentration

after 48 hours

(mg C/L)

pH

Measured

concentration

after 72 hours

(mg C/L)

pH

Solubility of

the test material

(mg C/L)

1668

6.44

1742

6.59

1749

6.64

1810 ± 63.8

1885

6.43

1888

6.64

1828

6.67

1791

6.58

1863

6.38

1880

6.89

Mean: 1782

-

Mean: 1831

-

Mean: 1819

-

RSD% = 1

Conclusions:
Under the conditions of this study the water solubility of the test material is 2507 ± 88.4 mg/L.
Executive summary:

The water solubility of the test material was determined in accordance with the standardised guidelines OECD 105 and EU Method A.6, under GLP conditions, using the shakeflask method.

pH of the samples varied in the range of 6.38 - 6.89. Samples were analysed with TOC.

The water solubility of the test material was determined to be 1810 ± 63.8 mg carbon/L (95 % confidence interval) at 20 ± 1 °C using the shake-flask method for the performance of the main test.

Based on the molecular composition of the test material (C7H6O2 C6H6O)x the carbon content of this polymer is 72.2 % of the molecular weight. Therefore the calculated water solubility is 2507 ± 88.4 mg/L for the test material.

Under the conditions of this study the water solubility of the test material is 2507 ± 88.4 mg/L.

Description of key information

Under the conditions of this study the water solubility of the test material is 2507 ± 88.4 mg/L.

Key value for chemical safety assessment

Water solubility:
2 507 mg/L
at the temperature of:
20 °C

Additional information

The water solubility of the test material was determined in accordance with the standardised guidelines OECD 105 and EU Method A.6, under GLP conditions, using the shakeflask method. The study was awarded a reliability score of 1 in accordance with the criteria set forth by Klimisch et al. (1997).

pH of the samples varied in the range of 6.38 - 6.89, samples were analysed with TOC.

The water solubility of the test material was determined to be 1810 ± 63.8 mg carbon/L (95 % confidence interval) at 20 ± 1 °C using the shakeflask method for the performance of the main test.

Based on the molecular composition of the test material (C7H6O2 C6H6O)x the carbon content of this polymer is 72.2 % of the molecular weight. Therefore the calculated water solubility is 2507 ± 88.4 mg/L for the test material.

Under the conditions of this study the water solubility of the test material is 2507 ± 88.4 mg/L.

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