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Administrative data

Endpoint:
water solubility
Type of information:
experimental study
Adequacy of study:
key study
Study period:
29 April 2010 - 15 November 2010
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
other: GLP study

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2010
Report date:
2010

Materials and methods

Test guidelineopen allclose all
Qualifier:
according to guideline
Guideline:
EU Method A.6 (Water Solubility)
Deviations:
no
Qualifier:
according to guideline
Guideline:
OECD Guideline 105 (Water Solubility)
Deviations:
no
GLP compliance:
yes
Type of method:
flask method

Test material

Constituent 1
Chemical structure
Reference substance name:
4-amino-2-methylpyrimidine-5-methylamine
EC Number:
202-384-7
EC Name:
4-amino-2-methylpyrimidine-5-methylamine
Cas Number:
95-02-3
Molecular formula:
C6H10N4
IUPAC Name:
5-(aminomethyl)-2-methylpyrimidin-4-amine
Details on test material:
- Name of test material (as cited in study report):grewe-diamin
- Physical state: solid

Results and discussion

Water solubilityopen allclose all
Water solubility:
392.4 g/L
Temp.:
10 °C
pH:
11.3 - 11.4
Remarks on result:
other: standard deviation: 11.3, replicates of three days
Water solubility:
427.3 g/L
Temp.:
20 °C
pH:
11.3 - 11.4
Remarks on result:
other: standard deviation: 15.8, replicates of three days
Details on results:
The temperature of the water bath was 10.0 °C respectively 20.0 °C.
The pH of the solutions were 11.3 to 11.4 at 10 °C and 20 °C.
The difference between the concentrations of the test substance of day 1 to 3 at 10 °C
and 20 °C was <15 % and the concentrations of the test substance showed no relevant tendency. Therefore the mean of day 1 - 3 was taken as the
solubility of the test substance at both temperatures, according to the guidelines.
The water solubility of "Grewe-diamin" was determined to:
Mean: 392.4 g/L, standard deviation: 11.3, replicates of three days, temperature 10.0 °C.
Mean: 427.3 g/L, standard deviation: 15.8, replicates of three days, temperature 20.0 °C.
As the temperature coefficient of the solubility of the test substance was <3 % (i.e. 0.9 %) per °C, the solubility was not determined at three
temperatures, in agreement with the guideline.


Any other information on results incl. tables

Table1: Water Solubility at 10 °C

Mass concentration of"Grewe-diamin"determined at different times of stirring, two solutions were used.

 

nominal temperature

equilibration time

pH of the solutions

concentration (mg/L)

deviation from the maximum concentration
(%)

1st

2nd

1st

2nd

mean

 

10 °C

1 day

11.3

11.4

399650

411409

405529

0.0

2 days

11.3

11.4

386750

384561

385655

-4.9

3 days

11.3

11.3

385852

386355

386104

-4.8

 

 

 

mean (day 1-3)

392429

 

 

 

 

SD

11347

 

 

Table2: Water Solubility at 20 °C

Mass concentration of"Grewe-diamin"determined at different times of stirring, two solutions were used.

 

nominal temperature

equilibration time

pH of the solutions

concentration (mg/L)

deviation from the maximum concentration
(%)

1st

2nd

1st

2nd

mean

 

20 °C

1 day

11.3

11.4

406682

413083

409882

-7.0

2 days

11.3

11.3

442557

438762

440660

0.0

3 days

11.4

11.3

431982

430437

431210

-2.1

 

 

 

mean (day 1-3)

427251

 

 

 

 

SD

15765

 

 

Applicant's summary and conclusion

Conclusions:
Interpretation of results (migrated information): very soluble (> 10000 mg/L)
The water solubility of "Grewe-diamin" was determined to:
Mean: 392.4 g/L, standard deviation: 11.3, replicates of three days, temperature 10.0 °C.
Mean: 427.3 g/L, standard deviation: 15.8, replicates of three days, temperature 20.0 °C.

As the temperature coefficient of the solubility of the test substance was <3 % (i.e. 1.8 %) per °C, the solubility was not determined at three
temperatures, in agreement with the guideline.
Executive summary:

The flask method was used.

The temperature of the water bath was 10.0 °C respectively 20.0 °C.

The pH of the solutions were 11.3 to 11.4 at 10 °C and 20 °C.

The difference between the concentrations of the test substance of day 1 to 3 at 10 °C
and 20 °C was <15 % and the concentrations of the test substance showed no relevant tendency. Therefore the mean of day 1 - 3 was taken as the solubility of the test substance at both temperatures, according to the guidelines.

The water solubility of"Grewe-diamin"was determined to:
Mean: 392.4 g/L, standard deviation: 11.3, replicates of three days, temperature 10.0 °C.
Mean: 427.3 g/L, standard deviation: 15.8, replicates of three days, temperature 20.0 °C.

As the temperature coefficient of the solubility of the test substance was <3 % (i.e. 0.9 %) per °C, the solubility was not determined at three temperatures, in agreement with the guideline.

 

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