6,6',6''-(1,3,5-triazine-2,4,6-triyltriimino)trihexanoic acid

Water solubility

Link to relevant study record(s)

Reference

Reference 1

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

2012

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

other: Test procedure according to Guideline method

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

GLP compliance:

no

Type of method:

flask method

Water solubility:

1.344 mg/L

Temp.:

25 °C

Remarks on result:

other: pH not adjusted

Water solubility:

9.867 mg/L

Temp.:

30 °C

Remarks on result:

other: pH not adjusted

Water solubility:

3.3 g/L

Temp.:

20 °C

pH:

8

Remarks on result:

other: Solvent: Soerensen buffer, 18 - 22 °C

Conclusions:

Interpretation of results (migrated information): slightly soluble (0.1-100 mg/L)
The water solubility was determined in a test according to OECD 105 to be 1.3 mg/L at 25°C. In Soerensen buffer (pH 8) the solubility increased drastically to 3.3 g/L at 20°C.

Reference 2

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

2012

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

GLP compliance:

no

Type of method:

flask method

Key result

Water solubility:

0.19 mg/L

Conc. based on:

test mat. (total fraction)

Incubation duration:

72 h

Temp.:

20 °C

pH:

6.5

sample	pH	mean value [mg/L]
24 h	6.5	0.37
48 h	6.5	0.32
72 h	6.5	0.51

Mean of all single values: 0.40 ± 0.09 mg/L

The water solubility of the test item at 20.0 ± 0.5°C is:

0.40 ± 0.09 mg/L (test item as-is, c= 48.0 g/100g) and corrected for the actual content of the test item (48.0g/100g): 0.19 ± 0.04 mg/L (calculated as c= 100g/100g).

Conclusions:

The water solubility of test substance was determined to be 0.19 mg/L at 20°C at pH 6.5

Description of key information

The water solubility was determined in a test according to OECD 105 to be 1.3 mg/L at 25°C. In Soerensen buffer (pH 8) the solubility increased drastically to 3.3 g/L at 20°C.

The water solubility of test substance was determined in another case to be 0.19 mg/L at 20°C at pH 6.5.

Key value for chemical safety assessment

Water solubility:

1.3 mg/L

at the temperature of:

25 °C

Additional information

The strong dependency of the solubility from pH can be explained by the molecular structure. The carboxyl groups dissociate at pH values above the pKa (ca. 7) which leads to a high solubility, in contrast to acidic pH values where the carboxyl groups are not dissociated.