Long-chain alkenyl amide

Water solubility

Administrative data

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

From 02 September 2016 to 09 September 2016

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

study well documented, meets generally accepted scientific principles, acceptable for assessment

Cross-reference

Reason / purpose for cross-reference:

reference to other study

Remarks:

UPLC-MS analytical method for the water samples from the preliminary test

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2017

Report date:

2017

Materials and methods

Test guideline

Qualifier:

no guideline followed

Principles of method if other than guideline:

A preliminary test followed by an EPISuite calculation yielded a very low water solubility. As it is technically not possible to measure such low concentration and therefore to support the water solubility study analytically, no (column elution) main study was performed.

GLP compliance:

yes

Type of method:

other: preliminary test and a structure-based calculation

Test material

Test material information

1

Reference substance name:

Reaction products of fatty acids, C16-18, C18 unsatd. with Amines, polyethylenepoly-, triethylenetetramine fraction and 3-(C9–C15, C12 rich, alk-1-enyl)dihydro-2,5-furandione

EC Number:

947-263-6

Cas Number:

68478-81-9

Molecular formula:

C36H68N4 - C76H136N4O6

IUPAC Name:

Reaction products of fatty acids, C16-18, C18 unsatd. with Amines, polyethylenepoly-, triethylenetetramine fraction and 3-(C9–C15, C12 rich, alk-1-enyl)dihydro-2,5-furandione

Test material form:

solid

Details on test material:

Appearance: Dark red-brown solid
Storage conditions: At room temperature

Results and discussion

Water solubility

Remarks on result:

not determinable because of methodological limitations

Details on results:

Water solubility at 25°C was calculated to be 7.37 E-12 mg/L using EPI SuiteTM.

Any other information on results incl. tables

It is not possible to develop an analytical method for the analysis of the substance at concentrations up to its water solubility. Therefore no main study was performed.

Applicant's summary and conclusion

Conclusions:

The water solubility of the substance was estimated to be 7.37E-12 mg/L.

Executive summary:

The water solubility of the substance was determined to be < 0.06 mg/L in a preliminary test. EPI SuiteTM calculation using the structure of a reaction product yielded a water solubility of 7.37E-12 mg/L. As it is technically not possible to measure such low concentration and therefore to support the water solubility study analytically, no (column elution) main study was performed. The water solubility of the substance was estimated to be 7.37E-12 mg/L.