Registration Dossier

Data platform availability banner - registered substances factsheets

Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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

Endpoint:
water solubility
Type of information:
experimental study
Adequacy of study:
key study
Study period:
25 July 2017 - 27 November 2017
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2018
Report date:
2018

Materials and methods

Test guidelineopen allclose all
Qualifier:
according to guideline
Guideline:
OECD Guideline 105 (Water Solubility)
Deviations:
no
Qualifier:
according to guideline
Guideline:
EU Method A.6 (Water Solubility)
Deviations:
no
Qualifier:
according to guideline
Guideline:
EPA OPPTS 830.7840 (Water Solubility)
Deviations:
no
GLP compliance:
yes (incl. QA statement)
Type of method:
flask method

Test material

Constituent 1
Chemical structure
Reference substance name:
Diethyl ethoxymethylenemalonate
EC Number:
201-725-7
EC Name:
Diethyl ethoxymethylenemalonate
Cas Number:
87-13-8
Molecular formula:
C10H16O5
IUPAC Name:
diethyl ethoxymethylenemalonate
Test material form:
liquid
Specific details on test material used for the study:
- Batch n°: JC170405
- Analytical purity: 99.5%
- Expiration date: 12 April 2018
- Storage condition: at room temperature

Results and discussion

Water solubility
Key result
Water solubility:
13 g/L
Conc. based on:
test mat. (dissolved fraction)
Loading of aqueous phase:
28.7 g/L
Incubation duration:
>= 1 - <= 6 h
Temp.:
20 °C
pH:
>= 2.9 - <= 3.2
Details on results:
Preliminary test
The content of test item dissolved in the water sample was 5.65 g/L.

Main study 1
The maximum difference (MD) of the concentrations determined in the 24, 48 and 72 hour test samples was > 15.00%. The test item was apparently not stable in water (hydrolysis), therefore the test was repeated with shortened stirring periods. No test item was detected in the pretreated sample from the blank water mixture.
Main study 2
The maximum difference (MD) of the concentrations determined in the 1, 3 and 6 hour test samples was ≤ 15%. Based on this, the water solubility of the test item is given as the mean value of the analysed concentrations.
A small response at the retention time of the test item was detected in the chromatogram of the pretreated sample from the blank water mixture. The maximum contribution to the samples was 0.0000010%, taking the dilution factor into account. It was considered that it had no significant effect on the results of the test samples.

Any other information on results incl. tables

The results for the samples taken at 24, 48 and 72 hours are given in the table underneath.

 Stirring time (hours) Analysed concentration (g/L)   Mean (g/L)  Maximum Difference (MD) (%)  pH
 24  6.24 2.71   180.89  2.5
 48  1.59      2.4
 72  0.313      2.3

The results for the samples taken at 1, 3 and 6 hours are given in the table underneath.

 Stirring time (hours) Analysed concentration (g/L)   Mean (g/L)  Maximum Difference (MD) (%)  pH
 1  13.6 13.0  11.06  3.2
 3  13.0      3.0
 6  12.2      2.9

Applicant's summary and conclusion

Conclusions:
The flask method was applied for the determination of the water solubility of JNJ-39005525-AAA (EMME).
The water solubility of the test item at 20°C was 13.0 g/L.
The pH of the aqueous samples was 2.9 – 3.2.