Reaction mass of 2-[7-isopropyl-5-methylbicyclo[2.2.2]oct-5-en-2-yl]-1,3-dioxolane and 2-[8-isopropyl-6-methylbicyclo[2.2.2]oct-5-en-2-yl]-1,3-dioxolane

Water solubility

Administrative data

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

June 6, 2014 - September 3, 2014

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

other: GLP-compliant study in accordance with EC A.6, OECD 105 and OPPTS 830.7840.

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2014

Report date:

2014

Materials and methods

Test guideline

Test guideline 1

Qualifier:

according to guideline

Guideline:

EU Method A.6 (Water Solubility)

Version / remarks:

(2008)

Deviations:

no

Test guideline 2

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

Version / remarks:

(1995)

Deviations:

no

Test guideline 3

Qualifier:

according to guideline

Guideline:

EPA OPPTS 830.7840 (Water Solubility)

Version / remarks:

(1998)

Deviations:

no

GLP compliance:

yes

Type of method:

flask method

Test material

Test material information

Constituent 1

Reference substance name:

Reaction mass of 2-[7-isopropyl-5-methylbicyclo[2.2.2]oct-5-en-2-yl]-1,3-dioxolane and 2-[8-isopropyl-6-methylbicyclo[2.2.2]oct-5-en-2-yl]-1,3-dioxolane

EC Number:

916-737-4

Molecular formula:

Reaction mass of 2-[7-isopropyl-5-methylbicyclo[2.2.2]oct-5-en-2-yl]-1,3-dioxolane and 2-[8-isopropyl-6-methylbicyclo[2.2.2]oct-5-en-2-yl]-1,3-dioxolane

IUPAC Name:

Reaction mass of 2-[7-isopropyl-5-methylbicyclo[2.2.2]oct-5-en-2-yl]-1,3-dioxolane and 2-[8-isopropyl-6-methylbicyclo[2.2.2]oct-5-en-2-yl]-1,3-dioxolane

Test material form:

other: Liquid

Details on test material:

Please note that although the substance is stated as the mono-constituent substance 2-(6-methyl-8-(-1-methylethyl)bicyclo(2.2.2)oct-5-en-2(3)-yl-1,3-dioxolane in the report, analytical data on the same batch shows that the test substance is in fact the multi-constituent substance Reaction mass of 2-(7-isopropyl-5(6)-methylbicyclo[2.2.2]oct-5-en-2-yl)-1,3-dioxolane and 2-(8-isopropyl-5(6)-methylbicyclo[2.2.2]oct-5-en-2-yl)-1,3-dioxolane.

Results and discussion

Water solubility

Water solubility:

8.39 mg/L

Temp.:

20 °C

pH:

>= 6.5 - <= 7

Remarks on result:

other: Mean of the concentrations analysed at t=72, 120, 144 and 168 h: 7.70 mg/L, 9.11 mg/L, 7.76 mg/L and 9.00 mg/L, resp.

Details on results:

- Analysed concentrations at t=24, 48 and 72 h: 5.68 mg/L, 4.35 mg/L and 7.70 mg/L, resp. Since a tendency to increasing values were shown, the stirring period was prolonged. As after 72 hours a plateau was reached, the water solubility was calculated based on the 72, 120, 144 and 168 hour measurements.
- No test substance was detected in the pretreated sample from the blank water mixture.
- The maximum difference of the concentrations determined in the 72, 120, 144 and 168 hour test samples was slightly above 15% (16.7% was calculated), there is however no significantly lower or higher value measured which could be considered as a outlier. Based on the properties of the test substance and the low water solubility that was measured, the results were accepted.

Applicant's summary and conclusion

Conclusions:

Interpretation of results (migrated information): slightly soluble (0.1-100 mg/L)
In a GLP-compliant study in accordance with EC A.6, OECD 105 and OPPTS 830.7840 using the flask method, the water solubility of the substance at 20°C has been determined as 8.39 mg/L. The pH of the saturated solution was 6.5-7.0.