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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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

Endpoint:
water solubility
Type of information:
experimental study
Adequacy of study:
key study
Study period:
20.02.2018 - 09.07.2018
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study

Data source

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

Materials and methods

Test guideline
Qualifier:
according to guideline
Guideline:
OECD Guideline 105 (Water Solubility)
Version / remarks:
slow-stir modification
Deviations:
yes
Remarks:
The test substance is a surfactant. The established methods (EU A.6 and OECD 105) are not applicable to surfactants. Therefore a slow-stir modification of the equilibration step (D.J. Letinski et al. (Chemosphere 48 (2002), 257-265)) was applied.
GLP compliance:
not specified
Type of method:
flask method

Test material

Reference
Name:
Unnamed
Type:
Constituent

Results and discussion

Water solubility
Key result
Water solubility:
8.66 g/L
Conc. based on:
test mat.
Temp.:
20 °C
pH:
8.5
Details on results:
The total concentration of the test substance in each flask is stable over time, i.e. saturation was achieved. An outlier test didn’t show up any suspicious data
points. Therefore all tests were regarded valid for further calculation.
The molar ratio of acid and amine remains unchanged compared to the original production setup, i.e. the test substance behaves as a single molecule.
Mean value of all total concentrations which is the concentration of the test substance in a saturated aqueous solution is 8,66 g/l, standard deviation of the mean value is 0,26 g/l
Compared to the water solubility of the constituting compounds of the test substance (isooctadecanoic acid: 0,24 mg/l, experimental value acc. to ECHA; dicyclohexylamine: 103,1 mg/l, estimate acc. to WSKOW v1.41) the test result is almost two orders of magnitude higher. This effect is clearly driven by the ionic structure which develops spontaneously when mixing the constituting compounds acid and amine.

Applicant's summary and conclusion

Conclusions:
Mean value of all total concentrations which is the concentration of the test substance in a saturated aqueous solution is 8,66 g/l, standard deviation of the mean value is 0,26 g/l
Compared to the water solubility of the constituting compounds of the test substance (isooctadecanoic acid: 0,24 mg/l, experimental value acc. to ECHA; dicyclohexylamine: 103,1 mg/l, estimate acc. to WSKOW v1.41) the test result is almost two orders of magnitude higher. This effect is clearly driven by the ionic structure which develops spontaneously when mixing the constituting compounds acid and amine.