α,2,2,6-tetramethylcyclohexene-1-butyraldehyde

Water solubility

Administrative data

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

13/10/2005 - 07/12/2005

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

other: According to Guideline under GLP

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:

2005

Report date:

2006

Materials and methods

Test guideline

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

Deviations:

no

Principles of method if other than guideline:

Not relevant

GLP compliance:

yes (incl. QA statement)

Type of method:

column elution method

Test material

Test material information

Constituent 1

Reference substance name:

α,2,2,6-tetramethylcyclohexene-1-butyraldehyde

EC Number:

265-747-9

EC Name:

α,2,2,6-tetramethylcyclohexene-1-butyraldehyde

Cas Number:

65405-84-7

Molecular formula:

C14H24O

IUPAC Name:

2-methyl-4-(2,6,6-trimethylcyclohex-2-en-1-yl)butanal

Details on test material:

- Name of test material (as cited in study report): Dihydro-C14-aldehyde
- Physical state: liquid
- Storage condition of test material: At room temperature at about 20°C (in a closed screw-top bottle under nitrogen)

Results and discussion

Water solubility

Water solubility:

ca. 0.6 mg/L

Temp.:

20 °C

pH:

7

Details on results:

The r² fit was 0.9996 (optimum 1.0000). This reflects the linearity of the GC-system within the calibration range of 0.223 to 2.232 mg/l of the test item.

Any other information on results incl. tables

No remarks

Applicant's summary and conclusion

Conclusions:

Interpretation of results: slightly soluble (0.1-100 mg/L)
The water solubility of Dihydro-C14-Aldehyde at 20°C was determined to be 0.6 mg/l ( ± 0.06 mg/l) using the column elution method.

Executive summary:

The determination of the water solubility of Dihydro-C14-Aldehyde was performed according to the EEC Directive 92/69, A.6 Water Solubility (1992) and the OECD guideline No. 105, Water Solubility (adopted July 27, 1995), using the column elution method.

During pre-tests the water solubility of the test item at room temperature was estimated to be about 1.4 mg/l by a simplified flask test. Therefore, the column elution method was used for the performance of the main test.

During the main test six samples have been analysed in the first run (0.52 l/min) and six samples during the second run (0.26 l/min), each with a sampling interval of one hour. Total elution time was 169 hours. The sample measurement was performed by GC.

The measured results differ by less than 30 %. Therefore, the study is considered to be valid.

The chromatogram of a standard solution (0.335 µg/ml) is given in Figure 1 and a typical chromatogram of a test solution (eluate) is shown in Figure 2. The calibration curve and data are shown Figure 3 and in Table 3. The r² fit was 0.9996 (optimum 1.0000). This reflects the linearity of the GC-system within the calibration range of 0.223 to 2.232 mg/l of the test item.

In conclusion, the water solubility of Dihydro-C14-Aldehyde at 20°C was determined to be 0.6 mg/l ( ± 0.06 mg/l) using the column elution method. The water solubility was not corrected for the purity of the test item.