Registration Dossier

Administrative data

Endpoint:
water solubility
Type of information:
experimental study
Adequacy of study:
key study
Study period:
The study was conducted between 21 October 2014 and 4 December 2014.
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2015
Report Date:
2015

Materials and methods

Test guidelineopen allclose all
Qualifier:
according to
Guideline:
OECD Guideline 105 (Water Solubility)
Deviations:
no
Qualifier:
according to
Guideline:
EU Method A.6 (Water Solubility)
Deviations:
no
GLP compliance:
yes (incl. certificate)
Type of method:
flask method

Test material

Reference
Name:
Unnamed
Type:
Constituent
Test material form:
liquid
Details on test material:
Identification: Isobutyl Phenyl Acetate
Chemical nature: 2-methylpropyl 2-phenylacetate
EC No.: 203-007-9
CAS No.: 102-13-6
Molecular weight: 192.2 g/mol
Appearance/physical description: clear, colourless liquid
Empirical formula: C12H16O2
Batch No: SC00010162
Purity: 100%

Results and discussion

Water solubility
Key result
Water solubility:
0.103 g/L
Temp.:
20 °C
pH:
6.7
Details on results:
The water solubility of the test item has been determined to be 0.103 g/L at 20.0 ± 0.5 °C.

Any other information on results incl. tables

The preliminary estimate of water solubility was 0.102 g/L at 20ºC

The mean peak areas relating to the standard and sample solutions are shown in the following table:

Solution

Mean PeakArea

Standard Solution, 52.7 mg/L

6.7011 x 105

Standard Solution, 51.9 mg/L

6.4734 x 105

Matrix Blank Solution

None detected

Sample Solution 1, Replicate Dilution A

6.8009 x 105

Sample Solution 1, Replicate Dilution B

6.8495 x 105

Sample Solution 2, Replicate Dilution A

6.2702 x 105

Sample Solution 2, Replicate Dilution B

6.2755 x 105

Sample Solution 3, Replicate Dilution A

6.3522 x 105

Sample Solution 3, Replicate Dilution B

6.4219 x 105

The concentration (g/L) of test item in the sample solutions is shown in the following table:

Sample Number

Time Shaken at

20 ºC (hours)

Time Equilibrated at 20 ºC (hours)

Concentration (g/L)

Solution pH

1

24

24

0.108

6.6

2

48

24

0.0996

6.7

3

72

24

0.101

6.7

Mean concentration: 0.103 g/L at 20.0 ± 0.5 ºC
Range: 0.0996 to 0.108 g/L
Standard Deviation: 4.51 x 10-3g/L

Validation

The linearity of the detector response with respect to concentration was assessed over the nominal concentration range of 10 to 100 mg/L. This was satisfactory with a correlation coefficient > 0.999 being obtained.

 

Discussion

On completion of the re-equilibration period, the samples were visibly saturated, with excess, undissolved test item prior to analysis. 

All individual water solubility results were within ± 15 % of the mean; thus, satisfying the criteria specified in the guideline.

Applicant's summary and conclusion

Conclusions:
The water solubility of the test item has been determined to be 0.103 g/L of solution at 20.0 ± 0.5 °C
Executive summary:

The water solubility was 0.103 g/L of solution at 20.0 ± 0.5 °C, using the flask method, designed to be compatible with Method A6 Water Solubility of Commission Regulation (EC) No 440/2008 of 30 May 2008 and Method 105 of the OECD Guidelines for Testing of Chemicals, 27 July 1995.