2,4-bis[N'-(4-methylphenyl)ureido]toluene

Water solubility

Administrative data

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

December 1, 1992 - December 24, 1992

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Cross-reference

Reason / purpose for cross-reference:

reference to other study

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

1993

Report date:

1993

Materials and methods

Test guideline

Test guideline 1

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

Version / remarks:

1981

Deviations:

no

Test guideline 2

Qualifier:

according to guideline

Guideline:

EU Method A.6 (Water Solubility)

Version / remarks:

1984

Deviations:

no

GLP compliance:

yes

Type of method:

column elution method

Test material

Test material information

Constituent 1

Reference substance name:

2,4-bis[N'-(4-methylphenyl)ureido]toluene

EC Number:

411-790-5

EC Name:

2,4-bis[N'-(4-methylphenyl)ureido]toluene

Cas Number:

54390-87-3

Molecular formula:

C23H24N4O2, C24H34N4O2

IUPAC Name:

3-(2-methyl-3-{[(4-methylphenyl)carbamoyl]amino}phenyl)-1-(4-methylphenyl)urea; 3-(2-methyl-5-{[(4-methylphenyl)carbamoyl]amino}phenyl)-1-(4-methylphenyl)urea; 3-{2-methyl-3-[(octylcarbamoyl)amino]phenyl}-1-(4-methylphenyl)urea

Test material form:

solid: particulate/powder

Details on test material:

- Name of test material (as cited in study report): KY-MA
- Lot/batch No.: 4HT059M
- Expiration date of the lot/batch: August 5, 1994
- Physical state: Light yellow solid
- Storage condition of test material: At room temperature in the dark

Results and discussion

Water solubility

Key result

Water solubility:

6 µg/L

Temp.:

20 °C

pH:

6

Remarks on result:

other: Mean of 2 experiments

Details on results:

- The test substance is a multi-constituent. For only one constituent, the concentration in the waterphase was above the limit of detection; only the concentration of this component was used for the calculation of the water solubility of the substance (a reaction mass of several constituents).
- The chromatograms of the samples taken from the blank column at 20°C did not show any significant peaks with the same retention as the substance

Any other information on results incl. tables

Results of preliminary test 1

- The mean value of all measurements was 50 µg/L

- No significant differences were observed between the concentrations analysed after the 2nd and 3rd centrifugation step

Results of preliminary test 2

- The water solubility estimated from preliminary test 2 was 8 µg/L at 20°Cs

Results of Column 1

Flowrate [mL/hour]	Sample no	Concentration [µg/L]	Mean at 1 flowrate [µg/L]	Mean [µg/L] (MD)	pH
24	1	11.3*	5.8   (5%)**	5.8 (2%)	6.0
	2	5.8
	3	6.0
	4	5.5
	5	5.6
	6	6.0
	7	6.1
12	1	6.8*	5.7   (4%)**		6.0
	2	12.3*
	3	5.6
	4	5.6
	5	5.5
	6	5.6
	7	6.1

Results of Column 2

Flowrate [mL/hour]	Sample no	Concentration [µg/L]	Mean at 1 flowrate [µg/L]	Mean [µg/L]	pH
24	1	6.6	6.7   (5%)**	6.3 (11%)	6.0
	2	7.2
	3	7.1
	4	6.6
	5	6.4
	6	6.6
	7	6.2
12	1	6.2	6.0   (6%)**		6.0
	2	6.2
	3	6.2
	4	6.2
	5	6.2
	6	5.5
	7	5.5

 

*Not used for the calculations

**Coefficient of variation

MD = maximum deviation

Applicant's summary and conclusion

Conclusions:

The water solubility of the substance was determined to be 6 µg/L at 20°C.

Executive summary:

Using the column elution method the water solubility of the substance was determined in accordance with OECD 105 (1981), EU Method A.6 (1984) and according to GLP principles. The water solubility of the substance was determined to be 6 µg/L at 20°C.