(4R,6R)-4-Hydroxy-2,2,6-trimethylcyclohexanone / 60046-50-6

Water solubility

Administrative data

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

08/99 - 11/99

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

other: The study was carried out in compliance with the OECD Guideline for Testing of Chemicals No. 105 "Water solubility", 1995, and EEC Directive 92/69 A.6 "Water solubility", 1992, with no deviation reported.

Cross-reference

Cross-reference 1

Reason / purpose for cross-reference:

reference to same study

Cross-reference 2

Reason / purpose for cross-reference:

reference to other study

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2000

Report date:

2000

Materials and methods

Test guideline

Test guideline 1

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

Deviations:

no

Test guideline 2

Qualifier:

according to guideline

Guideline:

EU Method A.6 (Water Solubility)

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Remarks:

Swiss Federal Department of the Interior

Type of method:

column elution method

Test material

Test material information

Constituent 1

Reference substance name:

(4R,6R)-4-hydroxy-2,2,6-trimethylcyclohexan-1-one

EC Number:

700-052-0

Cas Number:

60046-50-6

Molecular formula:

C9H16O2

IUPAC Name:

(4R,6R)-4-hydroxy-2,2,6-trimethylcyclohexan-1-one

Details on test material:

- Name of test material (as cited in study report): Actinol
- Physical state: White solid
- Analytical purity: 99.5 %
- Lot/batch No.: 410016
- Expiration date of the lot/batch: 31 July 2000
- Stability under test conditions: max 5 days
- Storage condition of test material: At room temperature, protected from sunlight
- Other:

Results and discussion

Water solubility

Water solubility:

66.6 g/L

Temp.:

20 °C

pH:

ca. 7

Details on results:

The saturation concentration of Actinol at room temperature was estimated by a simplified flask method in the preliminary test to be higher than 10^-2 g/L.
The results of the individual measurements of the main test are shown in Table 1. The values represent rounded values, which were obtained by calculation using the exact raw data. The concentrations determined after 24, 48 and 72 hours differ by less than 15 %. Therefore the study is considered to be valid. Concurrent with the samples, a recovery of two spiked water samples were performed. The concentration was found to be 95.1 and 106.4 % of the spiked values, respectively.

Any other information on results incl. tables

Table 1: Results of the water solubility test for Actinol.

Sample no.	Shaking time at 30 °C	Concentration analysed (g/L)	Water solubility calculated (g/L)
1	72	67.61	66.60 +/- 0.9
2		66.93
3	48	65.90
4		67.22
5	24	66.76
6		65.18

Applicant's summary and conclusion

Conclusions:

Interpretation of results (migrated information): very soluble (> 10000 mg/L)
The water solubility of Actinol at 20 +/- 0.5 °C was determined to be 66.6 g/L.

Executive summary:

The determination of the water solubility of Actinol was performed according to EEC Directive 92/69, A.6, 1992, and the OECD Guideline No. 105, 1995 using the flask shake method.

The saturation of Actinol at room temperature was estimated in a simplified flaks method to be higher than 10^-2 g/L.

The results of the individual measurements of the main test are shown in Table 1. The concentrations determined after 24 hours, 48 hours, and 72 hours by GC differed by less than 15 %. Therefore, the study is considered to be valid.

Concurrent with the sample analysis, a recovery of two spiked water samples was performed. Two solutions were subjected to the same treatment as the sample solutions. The concentration was found to be 95.1 % and 106.4 % of the spike value. Thus, no correction for possible losses during the analytical procedure was necessary.

In conclusion, the water solubility of Actinol at 20 +/- 0.5 °C was determined to be 66.6 g/L (stand deviation 0.9 g/L).