Bis(3,5-bis(1,1-dimethylethyl)-2-hydroxybenzoato-O1,O2)zinc

Water solubility

Administrative data

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

other: The test was not conducted to GLP but was conducted by a recognised accredited laboratory to a recognised method and study report is available.

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

1985

Report date:

1985

Materials and methods

Test guideline

Qualifier:

according to guideline

Guideline:

EU Method A.6 (Water Solubility)

Version / remarks:

84/449/EEC

Deviations:

no

GLP compliance:

no

Type of method:

flask method

Test material

Test material information

Constituent 1

Reference substance name:

Bis(3,5-bis(1,1-dimethylethyl)-2-hydroxybenzoato-O1,O2)zinc

EC Number:

403-360-0

EC Name:

Bis(3,5-bis(1,1-dimethylethyl)-2-hydroxybenzoato-O1,O2)zinc

Cas Number:

42405-40-3

Molecular formula:

C30H42O6Zn

IUPAC Name:

bis(3,5-bis(1,1-dimethylethyl)-2-hydroxybenzoato-O1,O2)zinc

Details on test material:

- Physical state: solid
- Impurities (identity and concentrations): Water content was measured by Karl Fischer titration and determined to be 2.2+/-0.1%
- Purity test date: Not stated
- Lot/batch No.: Not stated
- Expiration date of the lot/batch: Not stated
- Stability under test conditions: Not stated
- Storage condition of test material: Not stated
- Other:

Results and discussion

Water solubility

Water solubility:

187.7 mg/L

Temp.:

20 °C

pH:

>= 6.92 - <= 7.29

Any other information on results incl. tables

Analysis

A solution of 252.51 mg of test substance in 100ml of dry ethanol was prepared

Concentration

(252.51/(100x564.02)) x 0.978 = 4.3785 x 10^-3 M

From this solution 10, 20, 30, 40, 60 and 80 μl were diliuted in 3.0 ml of double distilled water. The absorbance E was measured at 307nm.

Concentration x10^5 (M)	Absorbance (E)
1.4547	0.118
2.8997	0.223
4.3351	0.338
5.7612	0.443
8.5853	0.679
11.3727	0.895

E = 7889 ± 72M^-1.cm^-1 (r = 0.99983)

Test 1

Stirring for 24 hours, Final absorbance (after dilution 0.5 ml to 2.5 ml): E = 0.573

(0.573/7889) x (2.5/0.5) x 564.02 x 1000 = 204.8 mg/l

Test 2

Stirring for 48 hours, Final absorbance (after dilution 0.5 ml to 2.5 ml): E = 0.472

(0.472/7889) x (2.5/0.5) x 564.02 x 1000 = 168.7 mg/l

Test 3

Stirring for 72 hours, Final absorbance (after dilution 0.5 ml to 2.5 ml): E = 0.505

(0.505/7889) x (2.5/0.5) x 564.02 x 1000 = 180.5 mg/l

A further test (Test 4) was conducted due to the results of Test 2 and Test 3 to show a tendency to decreasing values which might indicate a slow degradation of the test substance in aqueous solution

Test 4

Stirring for 24 hours, Final absorbance (after dilution 0.5 ml to 2.5 ml): E = 0.550

(0.55 0/7889) x (2.5/0.5) x 564.02 x 1000 = 196.6 mg/l

Mean solubility = 187.7 ± 16.2 mg/l

Applicant's summary and conclusion

Conclusions:

Interpretation of results (migrated information): moderately soluble (100-1000 mg/L)
The mean water solubility of the substance is 187 mg/l

Executive summary:

The water solubility test was conducted to the flask method. Multiple samples were stirred in a thermostated water bath for period of time increassing in 24 hour increments and the concentration of the soluble portion assessed after each alotted time period. A tendency of decreasing values was observed with increasing time which might indicate some slow degradation in aqueous solution. A further examination at 24 hours stirring was conducted, however, and the water solubility could be determined to be 187 mg/l.