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Physical & Chemical properties

Water solubility

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Reference
Endpoint:
water solubility
Type of information:
experimental study
Adequacy of study:
key study
Study period:
experimental phase from 2014-01-30 to 2014-02-04
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Remarks:
The study was conducted according to OECD/EU guideline, and under GLP. Deviation was not considered significant. Test substance is adequately specified with purity. Therefore full validation applies.
Qualifier:
according to
Guideline:
OECD Guideline 105 (Water Solubility)
Qualifier:
according to
Guideline:
EU Method A.6 (Water Solubility)
Principles of method if other than guideline:
(not applicable)
GLP compliance:
yes (incl. certificate)
Remarks:
inspected on June 3 to 5, 2013 / signed on November 5, 2013
Type of method:
flask method
Key result
Water solubility:
492 mg/L
Conc. based on:
test mat. (dissolved fraction)
Loading of aqueous phase:
2.2 g/L
Incubation duration:
ca. 24 - ca. 72 h
Temp.:
20 °C
pH:
ca. 4.7
Details on results:
The analytical method was validated and tested with satisfactory results in regard to linearity, accuracy, precision and specificity:
Linearity
System quantification limit = 5 mg/L
Range: 5 – 200 mg/L with r2 = 0.9997 (n=6)
Limit of Quantification = 25 mg/L.
Accuracy
Recovery rates were 102 % for the 1 x LOQ (RSD=1.18%) and 100 % for the 5 x LOQ (RSD=0.32 %).
Specificity
The analyte spectra of the samples matched with standard spectra with sufficient confirmation of identity. Response of blank values of control samples was significantly lower than 30% of LOQ.

Water solubility results

No Tyndall‑effects were observed for any sample during this study.

Sampling interval

Replicate No.

Measured
pH

Water solubility
[mg/L]

Concentration (1)

Mean

24 h

1

4.7

487

486

2

4.7

486

48 h

1

4.7

488

488

2

4.7

487

72 h

1

4.7

500

501

2

4.7

501

Mean (24 - 72 h)

 

4.7

 

492

Maximum deviation [%]

 

2.96

 (1) mean value of triplicate samples each double injected

Conclusions:
Moderately soluble (100-1000 mg/L)
Executive summary:

The water solubility of the test item was determined according to OECD 105 / EC A6 guidelines, under GLP, using the flask method, in double distilled water, at 20°C with preincubation at 30°C .

Equilibrium was considered achieved at first sampling interval (24h).

Analytical evaluation was performed using HPLC-DAD. The analytical method was validated with satisfactory results regarding linearity, limit of quantification, accuracy, precision and specificity.

The water solubility was determined to be 492 mg/L (20 °C, pH 4.7)

Description of key information

Moderately soluble. Equilibrium after 24h.
pH of saturated solution: 4.7

Key value for chemical safety assessment

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

Additional information

A fully reliable experimental study, conducted according to OECD/EC guidelines (flask method) and under GLP, is available. Therefore, it is considered as a key study, and the result is retained as key data.