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Administrative data

Endpoint:
hydrolysis
Type of information:
experimental study
Adequacy of study:
key study
Study period:
2013-09-16 to 2013-11-13
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2013
Report date:
2013

Materials and methods

Test guideline
Qualifier:
according to guideline
Guideline:
OECD Guideline 111 (Hydrolysis as a Function of pH)
GLP compliance:
yes (incl. QA statement)

Test material

Constituent 1

Study design

Analytical monitoring:
yes
Details on sampling:
9.46 mg of the internal standard methyl tetracosanoate are dissolved in 100 ml of t-butyl methyl ether (TBME) = internal standard stock solution. Of this stock solution 1 ml is transferred into a 10 ml volumetric flask and topped up to the mark with TBME = internal standard solution.
After defined incubation times, 20 ml of the test solutions are transferred into 50 ml volumetric flasks. 10 µI of the internal standard solution are added, and the analyte as well as any possible degradation products and the internal standard substance are extracted with 10 ml of t-butyl methyl ether (TBME) by stirring for 1 hour.
After stirring of the 20 ml test solution· aliquots in TBME for extraction the ether phase is dried using sodium sulfate, evaporated to an end volume of 2 ml and analysed by gas chromatography/mass spectrometry coupling.
Buffers:
Buffer solution pH 4, AVS Titrinorm, Batch 13G010501
Buffer solution pH 7, AVS Titrinorm, Batch 13F120512
Buffer solution pH 9, Bernd Kraft, Batch 1473336
Details on test conditions:
The stability of the test item in aqueous systems is investigated at pH 4, pH 7, and pH 9 at 20 °C, 50 °C and 70 °C.
A stock solution of the test item of 55.24 mg/50 ml in ethanol is prepared. 500 µI of this solution is transferred into a 500 ml volumetric flask and topped up to the mark with the respective buffer solutions.
For each pH and each temperature duplicate test solutions were prepared.
Duration of testopen allclose all
Duration:
4 h
pH:
9
Temp.:
70 °C
Duration:
24 h
pH:
9
Temp.:
50 °C
Duration:
72 h
pH:
9
Temp.:
20 °C
Duration:
2 h
pH:
7
Temp.:
70 °C
Duration:
2 h
pH:
7
Temp.:
50 °C
Duration:
24 h
pH:
7
Temp.:
20 °C
Number of replicates:
2

Results and discussion

Transformation products:
yes
Identity of transformation productsopen allclose all
Details on hydrolysis and appearance of transformation product(s):
After hydrolysis of the test item, the test solutions were investigated by GC-M to identify the hydrolysis products. The obtained data was compared with reference spectra collected in non-GLP preliminary study. The observed product is one of the starting materials used in the synthesis of Sa 57. Due to the same molecular mass, the two isomers of the aldehyde cannot be distinguished by the test method used for their identification (GC-MS), but both are expected to be present.
The other reaction product was not identified in the course of the study. Due to the high polarity of this component, it was not possible to extract it from the aqueous phase in significant enough amounts to identify it by subsequent GC-MS analysis.
It is our opinion, that despite not being identified by the analytical techniques used in this study, its presence as hydrolysis product is clearly established by the detection of the aldehyde. The hydrolysis represents the reverse reaction of the synthesis of the test item and leaves no other plausible options for other hydrolysis products.
Dissipation DT50 of parent compoundopen allclose all
Key result
pH:
4
Temp.:
20 °C
Remarks on result:
not determinable
Key result
pH:
4
Temp.:
50 °C
Remarks on result:
not determinable
Key result
pH:
4
Temp.:
70 °C
Remarks on result:
not determinable
Key result
pH:
7
Temp.:
20 °C
Hydrolysis rate constant:
0.805 h-1
DT50:
0.9 h
Key result
pH:
7
Temp.:
50 °C
Hydrolysis rate constant:
2.574 h-1
DT50:
0.3 h
Key result
pH:
7
Temp.:
70 °C
Hydrolysis rate constant:
2.574 h-1
DT50:
0.3 h
Key result
pH:
9
Temp.:
20 °C
Hydrolysis rate constant:
0.006 h-1
DT50:
11.9 h
Key result
pH:
9
Temp.:
50 °C
Hydrolysis rate constant:
0.177 h-1
DT50:
3.9 h
Key result
pH:
9
Temp.:
70 °C
Hydrolysis rate constant:
1.248 h-1
DT50:
0.6 h
Details on results:
At pH 7, the rate constants for 50 °C and 70 °C were determined to be equal. This is caused by the fast hydrolysis and experimental restrictions regarding the sampling rate and is not in contradiction to the expectation that the hydrolysis should be faster at higher temperatures.
The temperature dependence of the rate constant at pH 4 could not be determined. At pH 4 an immediate hydrolysis takes place; the test item cannot be detected.

Applicant's summary and conclusion

Validity criteria fulfilled:
yes
Conclusions:
Sa 57 is hydrolytically unstable at ph4, ph7 and ph9.
Executive summary:

The hydrolysis as a function of pH of Sa 57 is determined according to OECD Guideline for the Testing of Chemicals No. 111.


Sa 57 is hydrolytically unstable at ph4, ph7 and ph9.


The temperature dependence of the rate constant at pH 4 could not be
determined. At pH 4 an immediate hydrolysis takes place; the test item cannot be
detected.