Isobutyl phenylacetate

Water solubility

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 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)

Type of method:

flask method

Test material

Test material information

Constituent 1

Reference substance name:

Isobutyl phenylacetate

EC Number:

203-007-9

EC Name:

Isobutyl phenylacetate

Cas Number:

102-13-6

Molecular formula:

C12H16O2

IUPAC Name:

isobutyl phenylacetate

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 10^5
Standard Solution, 51.9 mg/L	6.4734 x 10^5
Matrix Blank Solution	None detected
Sample Solution 1, Replicate Dilution A	6.8009 x 10^5
Sample Solution 1, Replicate Dilution B	6.8495 x 10^5
Sample Solution 2, Replicate Dilution A	6.2702 x 10^5
Sample Solution 2, Replicate Dilution B	6.2755 x 10^5
Sample Solution 3, Replicate Dilution A	6.3522 x 10^5
Sample Solution 3, Replicate Dilution B	6.4219 x 10^5

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.