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Physical & Chemical properties

Water solubility

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Endpoint:
water solubility
Type of information:
experimental study
Adequacy of study:
key study
Study period:
From 2009-01-28 to 2009-05-06
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Remarks:
The study was conducted according to an internationally recognised method, and under GLP. No deviation affected the good quality of the study. The substance is considered to be adequately characterised with its purity. Therefore full validation applies.
Qualifier:
according to
Guideline:
OECD Guideline 105 (Water Solubility)
Qualifier:
according to
Guideline:
EU Method A.6 (Water Solubility)
GLP compliance:
yes (incl. certificate)
Remarks:
Inspected on 05th to 06th and 26th to 30th November 2007 / Signed on 12th November 2008
Type of method:
column elution method
Water solubility:
1.88 mg/L
Conc. based on:
test mat. (dissolved fraction)
Incubation duration:
95 h
Temp.:
20 °C
pH:
6.5

During the main test, six samples have been analyzed in the first run (0.52 mL/min) and six samples during the second run (0.26 mL/min), each with a sampling interval of one hour. Total elution time was 95 hours. The sample measurement was performed by GC. The water solubility of ST 10 C 08 at 20 °C was determined to be 1.88 mg/L. The measured results differ by less than 30%. Therefore, the study is considered to be valid.

Experiment No. Flow rate [mL/h] Sample No. Concentration analyzed [mg/L] Water solubility [mg/L] pH
1 31 1 1.793 1.849
SD +/- 0.08
SDrel = 4.43%
1.88 6.50
2 1.857 6.49
3 1.837 6.51
4 1.731 6.51
5 1.919 6.52
6 1.956 6.50
2 16 7 1.942 1.906
SD +/- 0.07
SDrel = 3.93%
6.51
8 1.881 6.49
9 2.012 6.52
10 1.791 6.50
11 1.875 6.51
12 1.933 6.51

SD = Standard Deviation

SD rel. = Relative Standard Deviation

The r² fit of the calibration curve (n=6) was 1.0000. This reflects the linearity of the GC-system within the calibration range of 0.3235 mg/L to 16.175 mg/L of the test item.

Executive summary:

The water solubility of the test substance ST 10 C 08 was measured under GLP according OECD 105 / EU A6 guideline, column elution method. After calibration with six standard solutions, two experiments were conducted, with different flow rate, for 95h total elution time. Constant concentrations, measured by GC-FID, were observed, i.e. saturation achieved, and both results did not significantly differ, therefore the mean value was retained. pH was stable for all samples.

The water solubility of the test substance is 1.88 mg/L at 20°C (pH=6.5).

Endpoint:
water solubility
Type of information:
read-across from supporting substance (structural analogue or surrogate)
Adequacy of study:
key study
Justification for type of information:
1. HYPOTHESIS FOR THE ANALOGUE APPROACH

2. SOURCE AND TARGET CHEMICAL(S) (INCLUDING INFORMATION ON PURITY AND IMPURITIES)

3. ANALOGUE APPROACH JUSTIFICATION

4. DATA MATRIX

See attached justification document, included in IUCLID Section 13.
Reason / purpose:
read-across source
Reason / purpose:
read-across: supporting information
Key result
Water solubility:
1.88 mg/L
Conc. based on:
test mat. (dissolved fraction)
Incubation duration:
95 h
Temp.:
20 °C
pH:
6.5
Conclusions:
(from analogue)
Executive summary:

The water solubility of the analogue test substance was measured under GLP according OECD 105 / EU A6 guideline, column elution method. After calibration with six standard solutions, two experiments were conducted, with different flow rate, for 95h total elution time. Constant concentrations, measured by GC-FID, were observed, i.e. saturation achieved, and both results did not significantly differ, therefore the mean value was retained. pH was stable for all samples.

The derived water solubility for the target substance is 1.88 mg/L at 20°C (pH=6.5).

Description of key information

Slightly soluble, equilibrium reached before 72h, pH of saturated solution: 6.5 (experimental data on analogue).

Key value for chemical safety assessment

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

Additional information

A reliable experimental study, conducted according to a recognized OECD/EC method and under GLP, is available on an analogue (racemic substance). As no significant difference is anticipated with the present dossier on the (-)isomer, the read-across is considered justified for a key study, and the result is retained as key value for purpose of CSA.

A supporting study conducted on the parent substance was considered as not reliable, due to inconsistent analytical profile; however the worst-case limit value (<LOD of 6.2 mg/L) obtained confirms the magnitude of order.