2-{2-[(2-ethylhexyl)oxy]ethoxy}ethyl prop-2-enoate

Water solubility

Administrative data

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

The study was conducted between 06 May 2015 and 15 October 2015

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

other: 1= Reliable without restriction o GLP guideline study

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2015

Report date:

2015

Materials and methods

Test guideline

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Test material

Test material information

Constituent 1

Reference substance name:

2-{2-[(2-ethylhexyl)oxy]ethoxy}ethyl prop-2-enoate

Cas Number:

117646-83-0

Molecular formula:

C15H28O4

IUPAC Name:

2-{2-[(2-ethylhexyl)oxy]ethoxy}ethyl prop-2-enoate

Test material form:

other: liquid

Details on test material:

Identification:
M120

Appearance/Physical State:
Clear colorless liquid

Batch:
NC-5635-01

Purity:
99.4%

Expiry Date:
05 December 2015

Storage Conditions:
Room temperature, in the dark

Results and discussion

Water solubility

Water solubility:

0.055 g/L

Temp.:

20 °C

Any other information on results incl. tables

Results

Preliminary Test

The preliminary estimate of water solubility was 37.0 mg/L at 20 °C.

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

Solution	Mean PeakArea
Standard 27.8 mg/L	1.1104 x 10^6
Standard 26.2 mg/L	1.0848 x 10^6
Matrix Blank	None detected
Sample 1A	1.1361 x 10^6
Sample 1B	1.1726 x 10^6
Sample 2A	1.2493 x 10^6
Sample 2B	1.1475 x 10^6
Sample 3A	1.0276 x 10^6
Sample 3B	1.0155 x 10^6

 

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

Sample Number	Time Shaken at ~ 30 ºC (hours)	Time Equilibrated at 20 ºC (hours)	Concentration (g/L)	Solution pH
1	24	24½	5.67 x 10^-2	6.6
2	48	24½	5.88 x 10^-2	6.4
3	72	24	5.01 x 10^-2	6.5

 

Mean concentration:              5.52 x 10^-2g/L at 20.0 ± 0.5 ºC

Range:                                    5.01 x 10^-2to 5.88 x 10^-2g/L

Standard Deviation:               4.52 x 10^-3g/L

RSD:                                      8.19%

 

Validation

The linearity of the detector response with respect to concentration was assessed over the nominal concentration range of 5 to 50 mg/L. The results were satisfactory with curve parameters of y = 3.86 x 10⁴.x – 1.67 x 10⁴, r = 0.9996 being obtained.

 

Discussion

As the water solubility was determined during the preliminary test to be above 10 mg/L, the flask method was performed.

 

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

Applicant's summary and conclusion

Conclusions:

Interpretation of results (migrated information): slightly soluble (0.1-100 mg/L)
The water solubility of the test item has been determined to be 55.2 mg/L of solution at 20.0 ± 0.5 °C.