Ethylidynetrimethanol

Hydrolysis

Administrative data

Endpoint:

hydrolysis

Type of information:

experimental study

Adequacy of study:

key study

Study period:

Experimental phase started 06th June 2016 and completed 15th January 2017. Report issued: 18 April 2017.

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2017

Report date:

2017

Materials and methods

Test guideline

Test guideline 1

Qualifier:

according to guideline

Guideline:

OECD Guideline 111 (Hydrolysis as a Function of pH)

Deviations:

no

Test guideline 2

Qualifier:

according to guideline

Guideline:

EU Method C.7 (Degradation: Abiotic Degradation: Hydrolysis as a Function of pH)

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Test material

Test material information

Constituent 1

Reference substance name:

Ethylidynetrimethanol

EC Number:

201-063-9

EC Name:

Ethylidynetrimethanol

Cas Number:

77-85-0

Molecular formula:

C5H12O3

IUPAC Name:

2-(hydroxymethyl)-2-methylpropane-1,3-diol

Test material form:

solid: granular

Study design

Analytical monitoring:

yes

Details on sampling:

Sample solutions were taken from a water bath at 24 and 120 hours. The pH of each solution recorded. An aliquot of each sample solution (1 mL) was diluted by a factor of 20 using acetonitrile.

Standards
Duplicate standard solutions of test item were prepared in acetonitrile:water (95:5 v/v) at a nominal concentration of 50 mg/L.

Matrix Blanks
Diluent: Acetonitrile : water (95:5 v/v) for standard solutions.
Sample Blank: Acetonitrile : 10% relevant buffer solution (95:5 v/v) for sample solutions.

Number of replicates:

two samples per pH.

Results and discussion

Transformation products:

no

Dissipation DT50 of parent compound

Dissipation DT50 of parent compound 1

Key result

pH:

4

Temp.:

25 °C

DT50:

> 1 yr

Dissipation DT50 of parent compound 2

Key result

pH:

7

Temp.:

25 °C

DT50:

> 1 yr

Dissipation DT50 of parent compound 3

Key result

pH:

9

Temp.:

25 °C

DT50:

> 1 yr

Any other information on results incl. tables

The test item concentrations at the given time points are shown in the following tables:

pH 4 at 50.0 ± 0.5 ºC

Time (hours)	Concentration (g/L)		Percentage of mean initial concentration
	A	B	A	B
0	1.03	1.04	-	-
24	1.04	1.05	101	101
120	1.02	1.03	98.5	99.4

Less than 10% hydrolysis after 5 days at 50 °C, equivalent to half-life >1 year at 25 °C.

pH 7 at 50.0 ± 0.5 ºC

Time (hours)	Concentration (g/L)		Percentage of mean initial concentration
	A	B	A	B
0	1.02	1.02	-	-
24	1.05	1.04	102	102
120	1.05	1.02	102	100

Less than 10% hydrolysis after 5 days at 50 °C, equivalent to half-life >1 year at 25 °C.

pH 9 at 50.0 ± 0.5 ºC

Time (hours)	Concentration (g/L)		Percentage of mean initial concentration
	A	B	A	B
0	1.03	1.00	-	-
24	1.04	1.02	102	100
120	0.991	0.961	97.7	94.7

Less than 10% hydrolysis after 5 days at 50 °C, equivalent to half-life >1 year at 25 °C.

 Validation

The linearity of the detector response with respect to concentration was assessed over the nominal concentration range of 1to100mg/L. The plot was found to be 1^st order with a correlation coefficient (r) of 1.000.

Applicant's summary and conclusion

Validity criteria fulfilled:

yes

Conclusions:

The estimated half-life at 25 °C of the test item at pH's of 4, 7 and 9 was > 1 year.

Executive summary:

Introduction

The hydrolyis as a function of pH of Trimethylolethane was determined using a procedure designed to be compatible with Method C7 Abiotic Degradation, Hydrolysis as a Function of pH of Commission Regulation (EC) No 440/2008 of 30 May 2008 and Method 111 of the OECD Guidelines for Testing of Chemicals, 13 April 2004.

Method

The test system consisted of sterile buffer solutions at pH’s 4.0, 7.0 and 9.0. Sample solutions were maintained at 50.0 ± 0.5 °C for a period of 120 hours. The sample solutions were taken from a water bath at 24 and 120 hours and the concentration of test item in the sample solutions was determined by liquid chromatography – mass spectroscopy (LC-MS).

Results

No significant peaks were observed at the approximate retention time of the test item on analysis of any matrix blank solutions. The pH of all the test solutions remained stable throughout testing (< ±0.1 pH unit) of the target pH 4, 7 and 9.

Conclusion

The estimated half-life at 25 °C of the test item at pH's of 4, 7 and 9 was > 1 year.