Fatty acids, C18-unsatd., dimers, hydrogenated, reaction products with N1,N1-dimethyl-1,3-propanediamine

Water solubility

Administrative data

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

2009

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

other: Testing was performed according to guideline. Restriction due to water solubility being estimated by visual inspection because insolubles could not be removed.

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2009

Report date:

2009

Materials and methods

Test guideline

Qualifier:

according to guideline

Guideline:

EU Method A.6 (Water Solubility)

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Type of method:

flask method

Test material

Test material information

Constituent 1

Reference substance name:

N,N'-bis[3-(dimethylamino)propyl]-9-nonyl-10-octylnonadecanediamide; N-[3-(dimethylamino)propyl]-9-[2-(7-{[3-(dimethylamino)propyl]carbamoyl}heptyl)-3-[(2E)-oct-2-en-1-yl]-4-pentylcyclohexyl]nonanamide; N-[3-(dimethylamino)propyl]-9-[2-(7-{[3-(dimethylamino)propyl]carbamoyl}heptyl)-3-octyl-4-pentylcyclohexyl]nonanamide

EC Number:

937-688-5

Cas Number:

1391530-05-4

Molecular formula:

C46H82N4O2 to C46H94N4O2

IUPAC Name:

N,N'-bis[3-(dimethylamino)propyl]-9-nonyl-10-octylnonadecanediamide; N-[3-(dimethylamino)propyl]-9-[2-(7-{[3-(dimethylamino)propyl]carbamoyl}heptyl)-3-[(2E)-oct-2-en-1-yl]-4-pentylcyclohexyl]nonanamide; N-[3-(dimethylamino)propyl]-9-[2-(7-{[3-(dimethylamino)propyl]carbamoyl}heptyl)-3-octyl-4-pentylcyclohexyl]nonanamide

Results and discussion

Water solubility

Water solubility:

< 0.9 mg/L

Temp.:

20 °C

Remarks on result:

other: pH not reported

Any other information on results incl. tables

Table 1: Estimate of Water Solubility by Shake Flask Method

Test Sample	Substance (g )/  Volume Water (ml)	Observations	Estimated Water Solubility (mg/L)
1	0.0152 g/1000 mL	Insoluble material before centrifugation/ filtration	< 15.2
		Insoluble material after centrifugation/ filtration	< 15.2
2	0.0009 g/1000 mL	Insoluble test material	< 0.9

Applicant's summary and conclusion

Conclusions:

Interpretation of results (migrated information): slightly soluble (0.1-100 mg/L)
The test substance is slightly soluble. Water solubility is estimated to be < 0.9 mg/L at 20 deg. C

Executive summary:

The water solubility was determined by the shake flask method. In a preliminary test, it was found that suspended, water insoluble material could not be removed either by filtration or centrifugation to provide a suitable sample for analysis. As a result, the water solubility was visually estimated. At a nominal concentration of 0.9 mg/L, undissolved test material was observed indicating the water solubility of the test substance is < 0.9 mg/L at 20 deg. C.