Cyclohexane-1,3-dione

Water solubility

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

Test material information

Constituent 1

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.