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Physical & Chemical properties

Water solubility

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Administrative data

Endpoint:
water solubility
Type of information:
experimental study
Adequacy of study:
key study
Study period:
15 Dec 2009 to 11 Feb 2010
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
other: Study conducted to GLP and in compliance with agreed protocols, with no or minor deviations from standard test guidelines and/or minor methodological deficiencies, which do no effect the quality of the relevant results.

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2010
Report date:
2010

Materials and methods

Test guideline
Qualifier:
according to guideline
Guideline:
EU Method A.6 (Water Solubility)
Deviations:
no
GLP compliance:
yes (incl. QA statement)
Remarks:
Date of inspection: 15-09-2009 Date of Signature: 26-11-2009
Type of method:
flask method

Test material

Constituent 1
Chemical structure
Reference substance name:
Cyclohexane-1,3-dione
EC Number:
207-980-0
EC Name:
Cyclohexane-1,3-dione
Cas Number:
504-02-9
Molecular formula:
C6H8O2
IUPAC Name:
cyclohexane-1,3-dione
Details on test material:
- Name of test material (as cited in study report): 1,3 cyclohexane dione
- Substance type: Powder
- Physical state: Solid
- Analytical purity: 1,3 Cyclohexane Dione >97% W/W
- Impurities (identity and concentrations): Sodium Chloride 1%W/W Maximum
Water 0.5%W/W Maximum
- Composition of test material, percentage of components: 1,3 Cyclohexane Dione 99.2% W/W
Sodium Chloride 0.25%W/W
Water 0.4%W/W

- Purity test date: 18 November 2009
- Lot/batch No.: 184731091224
- Expiration date of the lot/batch: 18 May 2010
- Radiochemical purity (if radiolabelling): N/A
- Stability under test conditions: Stable
- Storage condition of test material: approximately 4 deg C in the dark

Results and discussion

Water solubility
Key result
Water solubility:
>= 30 - <= 32 other: % w/w
Temp.:
20 °C
pH:
ca. 7

Any other information on results incl. tables

Results

Preliminary test

The sample concentration, observations and solution pH, on completion of the 20°C equilibration period, are shown in the following table:

Table 8.3

Sample Number

Concentration (% w/w)

Observations

Solution pH

1

19.9

Orange-yellow solution with no excess test material

2.7

2

30.0

Orange-yellow solution with excess test material

2.7

3

40.0

Majority of sample is excess test material

-

4

49.8

-

5

60.0

-

6

69.6

-

Result:solubility in the range 19.9% w/w to 30.0% w/w at 20.0 ± 0.5°C.

Definitive test

The sample concentration, observation and solution pH, on completion of the 20°C equilibration period are shown in the following table:

Table8.4

Sample Number

Concentration (% w/w)

Observations

Solution pH

1

20.2

Clear, deep orange solution with no excess test material

2.7

2

22.0

2.7

3

24.1

2.7

4

26.0

2.7

5

28.0

2.7

6

30.0

2.6

7

32.0

Clear, deep orange solution with a crystal of excess test material

2.6

8

34.1

Deep orange solution with excess test material

2.6

9

36.1

Pale yellow solution with excess test material

2.7

10

38.1

Majority of sample is excess test material

2.7

11

41.0

2.7

Result:solubility in the range 30.0% w/w to 32.0% w/w of solution at 20.0 ± 0.5°C.

Applicant's summary and conclusion

Conclusions:
Interpretation of results (migrated information): very soluble (> 10000 mg/L)
The water solubility of the test material was determined to be in the range of 30.0-32.0 % w/w @ 20 +/- 0.5 Deg C by visual assessment.
Executive summary:

Water Solubility.  In the range 30.0% w/w to 32.0% w/w at 20.0 ± 0.5°C by visual assessment, based on the flask method, Method A6 Water Solubility of Commission Regulation (EC) No 440/2008 of 30 May 2008.