Registration Dossier

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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Administrative data

basic toxicokinetics in vitro / ex vivo
Type of information:
experimental study
Adequacy of study:
key study
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
study well documented, meets generally accepted scientific principles, acceptable for assessment

Data source

Reference Type:
study report
Report date:

Materials and methods

Objective of study:
other: Hydrolysis of the test substance under gastric conditions
Principles of method if other than guideline:
Hydrolysis of the test substance (recording of 13C and 1H NMR spectra) was investigated immediately after adding aqueous test substance to pH 4 buffer (conc. = 0.1 %) and after incubation at 37 °C for 1, 2 and 6 hours. By spiking this solution with MEA (monoethanol amine), methanol, and formaldehyde, the decomposition of the test substance was investigated. Additionally, hydrolysis was investigated at pH 5, 7, and 9.
GLP compliance:

Test material

Constituent 1
Chemical structure
Reference substance name:
EC Number:
EC Name:
Cas Number:
Molecular formula:
Details on test material:
No details.

Administration / exposure

Details on study design:
For all NMR measurements 0.7 mL of each test solution had to be transfered into a 5-mm NMR-tube. Capillaries filled with D2O and Na-trimethylsilylpropionic acid served as lock purpose and reference.
1H NMR spectra of all samples were measured at 22 °C using a Bruker system operating at 360 MHz. The 1H NMR spectra were recorded immediately after the preparation of the sample, after 1, 2 and 6 hours. The spectra obtained were processed using a lb value of 1.
13C NMR spectra of all samples were measured at 22 °C using a Varian system operating at 600 MHz. The spectra obtained were processed using a lb value of 5.

Results and discussion

Main ADME results
other: hydrolysis
the test substance is instable under simulated gastric conditions (pH 4).

Any other information on results incl. tables

The test substance shows a dramatic instability in aqueous solution at pH values of 4 and 7. 1H NMR spectra recorded directly after preparation of the 0.1 % test substance solution showed only signals of monoethanol amine which was confirmed by recording additional 13C NMR spectra (due to sensitivity reasons recorded with a 0.5 % aqueous solution). The latter showed also the signal of formaldehyde which is also a decomposition product of the test substance. No traces of methanol were found.

An aqueous solution of the test substance at pH 9 showed immediately after preparation signals for a mixture of undecomposed test substance, monoethanol amine and formaldehyde. Again no methanol could be detected.

Applicant's summary and conclusion