1-Octadecanamine, reaction products with 1,1'-methylenebis[4-isocyanatobenzene]

Water solubility

Administrative data

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

Testing was conducted between 14 August 2009 and 24 August 2009.

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

other: see 'Remark'

Remarks:

Study conducted in compliance with agreed protocols, with no or minor deviations from standard test guidelines and/or minor methodological deficiencies, which do not affect the quality of the relevant results. The study report was conclusive, done to a valid guideline and the study was conducted under GLP conditions.

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

Principles of method if other than guideline:

A calculation was also performed using computer based specialist estimation software, WSKOW v 1.41, © 2000, U.S. Environmental Protection Agency.

GLP compliance:

yes (incl. QA statement)

Type of method:

flask method

Remarks:

EXAMPLE: The determination was carried out using the flask method, Method A6 Water Solubility of Commission Regulation (EC) No 440/2008 of 30 May 2008.

Test material

Test material information

Constituent 1

Reference substance name:

PU Thickener

IUPAC Name:

PU Thickener

Constituent 2

Reference substance name:

Octadecylamine, reaction products with 4,4’-methylene diphenyl diisocyanate

IUPAC Name:

Octadecylamine, reaction products with 4,4’-methylene diphenyl diisocyanate

Test material form:

other: solid

Details on test material:

Sponsor's identification: PU Thickener
Chemical name: Octadecylamine, reaction products with 4,4’-methylene diphenyl diisocyanate
Description : beige coloured solid
Batch number : VPSG011
Date received : 31 July 2009
Storage conditions: room temperature in the dark

The integrity of supplied data relating to the identity, purity and stability of the test material is the responsibility of the Sponsor

Results and discussion

Water solubility

Water solubility:

< 0.001 g/L

Temp.:

20 °C

pH:

>= 5.6 - <= 6.6

Details on results:

Additionally, using an atom/fragment contribution method, the water solubility has been estimated to be less than or equal to 4.57 x 10-19 g/l at 25°C.

Any other information on results incl. tables

Results

Visual Estimation

The concentration (g/l) of test material in each sample, and appearance and pH of each sample, are shown in the following table:

Table 4.3

Sample Number	Concentration (g/l)	Appearance	Solution pH
1	2.50 x 10^-3	Excess undissolved test material at the base of the flask, on the PTFE septum and at the surface of the solution.	6.6
2	1.01 x 10^-3	Excess undissolved test material at the surface of the solution and on the PTFE septum.	6.0
3	5.2 x 10^-4	Excess undissolved test material at the surface of the solution and on the PTFE septum.	5.6

Overall: water solubility: less than 5.2 x 10^-4g/l of solution.

Atom/Fragment Contribution

From information supplied by the Sponsor, the molecular weights of the test components were “788, 1038, 1307 + higher”. Upon review of this information, it was considered that the component with the lowest molecular weight would indicate a worst-case scenario for environmental assessment purposes.

The computer based estimate for the lowest molecular weight component of the test material indicated a water solubility value of 4.57 x 10^-19g/l at 25°C. The calculation is illustrated in Attachment 2.

Applicant's summary and conclusion

Conclusions:

Interpretation of results (migrated information): slightly soluble (0.1-100 mg/L) at the most
The water solubility of the test material has been determined to be less than 5.2 x 10-4 g/l of solution at 20.0 ± 0.5°C. Using an atom/fragment contribution method, the water solubility has been estimated to be less than or equal to 4.57 x 10-19 g/l at 25°C.

Executive summary:

Method

The determination was carried out using a procedure based on the flask method, Method A6 Water Solubility ofCommissionRegulation (EC) No 440/2008 of 30 May 2008.

The calculation was performed using computer based specialist estimation software, WSKOW v 1.41, © 2000, U.S. Environmental Protection Agency. Results

Visual Estimation

Overall: water solubility: less than 5.2 x 10^-4g/l of solution.

Atom/Fragment Contribution

The computer based estimate for the lowest molecular weight component of the test material indicated a water solubility value of 4.57 x 10^-19g/l at 25°C.

Conclusion The water solubility of the test material has been determined to be less than 5.2 x 10^-4g/l of solution at 20.0 ± 0.5°C. Using an atom/fragment contribution method, the water solubility has been estimated to be less than or equal to 4.57 x 10^-19g/l at 25°C